*HEADER    BIOSYNTHETIC PROTEIN                    08-MAR-09   2KGD              
*TITLE     NMR SOLUTION STRUCTURES OF 3-OXO-BUTYL-ACP, AN INTERMEDIATE           
*TITLE    2 MIMIC FROM THE ACTINORHODIN POLYKETIDE SYNTHASE IN                   
*TITLE    3 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, POLYKETIDE MIMIC, DIKETIDE, ACTINORHODIN, COELICOLOR,            
*KEYWDS   2 ANTIBIOTIC BIOSYNTHESIS, PHOSPHOPANTETHEINE, BIOSYNTHETIC            
*KEYWDS   3 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS                                      
*REVDAT   1   14-APR-09 2KGD    0                                                


 ASSI {    3}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.61505E-02 ppm1      4.556 ppm2      2.706 CV     1
 ASSI {    4}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.900     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.23138E-02 ppm1      4.556 ppm2      3.053 CV     1
 ASSI {   16}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.14529E-02 ppm1      2.779 ppm2      4.247 CV     1
 ASSI {   17}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.22268E-02 ppm1      2.722 ppm2      4.246 CV     1
 ASSI {   19}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.27085E-02 ppm1      2.772 ppm2      4.492 CV     1
 ASSI {   22}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.600     1.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.19116E-02 ppm1      2.720 ppm2      8.013 CV     1
 ASSI {   23}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.31596E-02 ppm1      4.493 ppm2      8.695 CV     1
 ASSI {   25}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HN  ))
      4.000     2.000     2.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.86006E-03 ppm1      2.469 ppm2      7.752 CV     1
 ASSI {   27}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.300     2.300     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      2.507 ppm2      7.840 CV     1
 ASSI {   28}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.81254E-02 ppm1      4.065 ppm2      8.247 CV     1
 OR {   28}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {   28}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {   28}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {   29}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.25414E-02 ppm1      1.012 ppm2      4.276 CV     1
 ASSI {   30}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.29877E-02 ppm1      4.310 ppm2      8.410 CV     1
 ASSI {   31}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.100     0.500     0.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.80504E-02 ppm1      1.215 ppm2      7.300 CV     1
 ASSI {   32}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
      2.700     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.34747E-02 ppm1      6.816 ppm2      0.635 CV     1
 OR {   32}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 OR {   32}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI {   33}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.36300E-02 ppm1      6.760 ppm2      0.771 CV     1
 OR {   33}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {   39}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG2%)
      4.600     2.700     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.10613E-03 ppm1      6.893 ppm2      1.221 CV     1
 ASSI {   40}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.45666E-03 ppm1      7.117 ppm2      0.233 CV     1
 OR {   40}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI {   41}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      3.900     1.900     1.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.54950E-03 ppm1      6.932 ppm2      0.230 CV     1
 OR {   41}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI {   43}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.10094E-02 ppm1      6.977 ppm2      0.229 CV     1
 OR {   43}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI {   44}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
      3.400     1.500     1.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.13532E-02 ppm1      7.445 ppm2      0.631 CV     1
 OR {   44}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 OR {   44}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI {   45}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.500     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.33959E-03 ppm1      7.217 ppm2      8.042 CV     1
 OR {   45}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
 ASSI {   46}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.38229E-03 ppm1      7.343 ppm2      8.830 CV     1
 ASSI {   48}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.34880E-02 ppm1      0.801 ppm2      1.940 CV     1
 ASSI {   49}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      0.800 ppm2      2.216 CV     1
 ASSI {   51}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.61045E-02 ppm1      0.800 ppm2      1.720 CV     1
 ASSI {   54}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.200     1.300     1.300 peak    54 spectrum    1 weight  0.10000E+01 volume  0.15453E-02 ppm1      0.800 ppm2      1.532 CV     1
 ASSI {   55}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      0.797 ppm2      1.458 CV     1
 ASSI {   57}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.300     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.51954E-02 ppm1      0.799 ppm2      1.291 CV     1
 ASSI {   60}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1      0.799 ppm2      3.898 CV     1
 ASSI {   61}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.28604E-02 ppm1      0.799 ppm2      3.746 CV     1
 ASSI {   64}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      3.300     3.300     2.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.40983E-03 ppm1      0.796 ppm2      8.979 CV     1
 ASSI {   65}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.34448E-03 ppm1      0.800 ppm2      8.880 CV     1
 ASSI {   66}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.29494E-03 ppm1      0.802 ppm2      7.434 CV     1
 ASSI {   67}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.100     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.10306E-01 ppm1      0.846 ppm2      1.106 CV     1
 ASSI {   68}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.500     0.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.12699E-01 ppm1      0.867 ppm2      1.065 CV     1
 ASSI {   70}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
      3.000     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.24496E-02 ppm1      0.846 ppm2      1.632 CV     1
 ASSI {   71}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.500     0.500 peak    71 spectrum    1 weight  0.10000E+01 volume  0.87793E-02 ppm1      0.870 ppm2      1.822 CV     1
 ASSI {   72}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.100     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.91473E-02 ppm1      0.848 ppm2      1.494 CV     1
 ASSI {   73}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.62510E-02 ppm1      0.868 ppm2      1.537 CV     1
 ASSI {   75}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.62679E-02 ppm1      0.873 ppm2      2.459 CV     1
 ASSI {   78}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.11088E-02 ppm1      0.872 ppm2      2.796 CV     1
 ASSI {   81}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.13506E-02 ppm1      0.844 ppm2      3.750 CV     1
 ASSI {   82}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.33727E-02 ppm1      0.872 ppm2      4.374 CV     1
 ASSI {   85}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      0.873 ppm2      7.313 CV     1
 ASSI {   87}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.23380E-02 ppm1      0.873 ppm2      7.117 CV     1
 ASSI {   88}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.200     1.300     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.22071E-02 ppm1      0.872 ppm2      6.968 CV     1
 ASSI {   89}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.300     1.400     1.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.15533E-02 ppm1      0.873 ppm2      6.762 CV     1
 ASSI {   91}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.500     2.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.51546E-03 ppm1      0.845 ppm2      8.261 CV     1
 ASSI {   92}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.64700E-03 ppm1      0.845 ppm2      8.143 CV     1
 ASSI {   94}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.52873E-02 ppm1      0.873 ppm2      0.621 CV     1
 OR {   94}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {   96}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.12047E-02 ppm1      0.870 ppm2      1.373 CV     1
 ASSI {   97}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.40526E-02 ppm1      0.873 ppm2      1.298 CV     1
 ASSI {  101}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      3.300     1.400     1.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.31212E-02 ppm1      0.872 ppm2      1.727 CV     1
 ASSI {  104}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      2.400     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.52015E-02 ppm1      1.028 ppm2      0.838 CV     1
 ASSI {  105}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD1%)
      2.900     1.100     1.100 peak   105 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      1.528 ppm2      1.068 CV     1
 OR {  105}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  107}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.61637E-02 ppm1      0.873 ppm2      1.939 CV     1
 ASSI {  108}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HG  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.19888E-02 ppm1      0.873 ppm2      1.844 CV     1
 ASSI {  109}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.32208E-02 ppm1      1.028 ppm2      2.211 CV     1
 ASSI {  110}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      4.200     2.200     1.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.56405E-03 ppm1      1.028 ppm2      2.085 CV     1
 ASSI {  115}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.34624E-02 ppm1      1.029 ppm2      3.576 CV     1
 ASSI {  116}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.100     2.100     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.80325E-03 ppm1      0.872 ppm2      3.890 CV     1
 ASSI {  117}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.55874E-02 ppm1      0.873 ppm2      3.745 CV     1
 ASSI {  118}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.100     2.100     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.48817E-03 ppm1      0.873 ppm2      3.461 CV     1
 ASSI {  120}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.10501E-01 ppm1      1.527 ppm2      3.955 CV     1
 ASSI {  121}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.47185E-02 ppm1      1.029 ppm2      4.664 CV     1
 ASSI {  122}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   122 spectrum    1 weight  0.10000E+01 volume  0.11465E-02 ppm1      0.872 ppm2      4.905 CV     1
 ASSI {  123}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.900     1.900     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.42920E-03 ppm1      0.872 ppm2      7.442 CV     1
 ASSI {  124}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.300     2.400     1.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.53485E-03 ppm1      1.029 ppm2      7.408 CV     1
 ASSI {  126}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.13155E-02 ppm1      1.028 ppm2      8.218 CV     1
 ASSI {  127}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.48164E-02 ppm1      1.528 ppm2      8.233 CV     1
 ASSI {  129}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.84327E-02 ppm1      1.529 ppm2      8.762 CV     1
 ASSI {  130}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.67900E-02 ppm1      1.028 ppm2      1.788 CV     1
 ASSI {  133}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.73015E-03 ppm1      1.530 ppm2      0.363 CV     1
 ASSI {  134}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.100     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10318E-01 ppm1      1.393 ppm2      3.980 CV     1
 ASSI {  136}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.21244E-02 ppm1      1.393 ppm2      4.267 CV     1
 ASSI {  138}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11060E-01 ppm1      1.525 ppm2      4.312 CV     1
 ASSI {  139}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.28107E-02 ppm1      1.524 ppm2      4.587 CV     1
 ASSI {  140}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.32480E-02 ppm1      1.630 ppm2      3.746 CV     1
 ASSI {  142}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.14229E-01 ppm1      1.630 ppm2      4.462 CV     1
 ASSI {  144}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.500     1.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.53148E-03 ppm1      1.630 ppm2      4.678 CV     1
 ASSI {  145}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.29329E-02 ppm1      1.673 ppm2      4.214 CV     1
 ASSI {  146}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      4.200     2.300     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.91340E-03 ppm1      1.628 ppm2      4.023 CV     1
 OR {  146}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  150}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
      4.400     2.400     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.55221E-03 ppm1      1.638 ppm2      3.315 CV     1
 ASSI {  151}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.57314E-03 ppm1      1.524 ppm2      3.006 CV     1
 ASSI {  153}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
      3.500     1.600     1.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.10414E-02 ppm1      1.393 ppm2      2.833 CV     1
 ASSI {  154}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
      5.000     3.100     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.42960E-03 ppm1      1.522 ppm2      2.203 CV     1
 ASSI {  155}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      3.800     1.800     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.15870E-02 ppm1      1.392 ppm2      2.197 CV     1
 ASSI {  157}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.30181E-02 ppm1      1.632 ppm2      2.137 CV     1
 ASSI {  158}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.600     0.900     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.37269E-02 ppm1      1.393 ppm2      1.035 CV     1
 ASSI {  162}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
      2.600     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.36944E-02 ppm1      1.674 ppm2      0.869 CV     1
 ASSI {  165}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.94664E-02 ppm1      1.573 ppm2      4.478 CV     1
 ASSI {  166}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.85858E-02 ppm1      1.545 ppm2      4.375 CV     1
 ASSI {  168}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.45295E-02 ppm1      1.061 ppm2      4.667 CV     1
 ASSI {  169}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HA  ))
      3.700     1.700     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.99472E-03 ppm1      1.609 ppm2      4.407 CV     1
 ASSI {  170}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14054E-01 ppm1      1.609 ppm2      4.284 CV     1
 ASSI {  172}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.21252E-02 ppm1      1.546 ppm2      3.942 CV     1
 ASSI {  174}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.600     1.600     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.87926E-03 ppm1      0.926 ppm2      4.221 CV     1
 ASSI {  176}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.100     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.15044E-02 ppm1      0.926 ppm2      3.458 CV     1
 ASSI {  178}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.31261E-02 ppm1      0.924 ppm2      4.684 CV     1
 ASSI {  179}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      2.300     2.300     3.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.32584E-02 ppm1      1.610 ppm2      0.884 CV     1
 ASSI {  182}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.600     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.30991E-02 ppm1      1.063 ppm2      1.538 CV     1
 ASSI {  183}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      3.200     1.300     1.300 peak   183 spectrum    1 weight  0.10000E+01 volume  0.32155E-02 ppm1      1.061 ppm2      1.791 CV     1
 OR {  183}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  184}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.19357E-02 ppm1      0.925 ppm2      2.331 CV     1
 OR {  184}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  185}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.76956E-02 ppm1      0.923 ppm2      2.137 CV     1
 ASSI {  186}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.500     1.500     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.12858E-02 ppm1      0.926 ppm2      1.837 CV     1
 ASSI {  187}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      4.400     2.400     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.82908E-03 ppm1      0.926 ppm2      2.516 CV     1
 ASSI {  188}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.48423E-02 ppm1      1.062 ppm2      2.463 CV     1
 ASSI {  189}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      2.600     0.900     0.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.47765E-02 ppm1      0.924 ppm2      1.628 CV     1
 ASSI {  192}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.81637E-03 ppm1      1.063 ppm2      4.366 CV     1
 ASSI {  193}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.800     1.800     1.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.94046E-03 ppm1      1.546 ppm2      6.973 CV     1
 ASSI {  194}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.300     1.400     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.18036E-02 ppm1      1.547 ppm2      6.758 CV     1
 ASSI {  197}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.66895E-02 ppm1      1.573 ppm2      7.830 CV     1
 ASSI {  198}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12697E-01 ppm1      1.608 ppm2      7.960 CV     1
 ASSI {  199}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.52980E-02 ppm1      0.925 ppm2      7.526 CV     1
 ASSI {  203}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.11536E-02 ppm1      1.573 ppm2      7.964 CV     1
 ASSI {  205}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.100     2.100     1.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.17481E-02 ppm1      0.924 ppm2      8.485 CV     1
 ASSI {  206}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.66298E-03 ppm1      0.924 ppm2      8.276 CV     1
 ASSI {  208}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.15405E-02 ppm1      1.485 ppm2      7.977 CV     1
 ASSI {  209}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      1.214 ppm2      7.481 CV     1
 ASSI {  211}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.93352E-03 ppm1      1.213 ppm2      7.711 CV     1
 ASSI {  213}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.100     2.100     1.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.10774E-02 ppm1      1.130 ppm2      8.320 CV     1
 ASSI {  214}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.97670E-03 ppm1      1.214 ppm2      9.095 CV     1
 ASSI {  215}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.500     1.500 peak   215 spectrum    1 weight  0.10000E+01 volume  0.17212E-02 ppm1      1.130 ppm2      8.761 CV     1
 ASSI {  216}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.400     1.400     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      1.215 ppm2      7.118 CV     1
 ASSI {  217}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.39600E-02 ppm1      1.215 ppm2      6.922 CV     1
 OR {  217}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  218}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak   218 spectrum    1 weight  0.10000E+01 volume  0.47870E-03 ppm1      1.130 ppm2      6.758 CV     1
 ASSI {  219}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.34705E-02 ppm1      1.215 ppm2      4.445 CV     1
 ASSI {  220}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.23502E-02 ppm1      1.215 ppm2      4.308 CV     1
 ASSI {  221}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.18671E-02 ppm1      1.215 ppm2      3.984 CV     1
 ASSI {  222}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HA2 ))
      4.000     2.000     2.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.37739E-03 ppm1      1.218 ppm2      3.854 CV     1
 ASSI {  227}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
      4.800     2.900     1.200 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      1.214 ppm2      2.281 CV     1
 ASSI {  232}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.400     0.700     0.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.62250E-02 ppm1      1.130 ppm2      1.672 CV     1
 ASSI {  233}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.46438E-02 ppm1      1.215 ppm2      1.707 CV     1
 ASSI {  234}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.59774E-02 ppm1      1.214 ppm2      1.011 CV     1
 ASSI {  237}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.84781E-02 ppm1      1.130 ppm2      0.766 CV     1
 ASSI {  238}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      2.800     1.000     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.42355E-02 ppm1      1.215 ppm2      0.360 CV     1
 ASSI {  239}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.37583E-02 ppm1      1.215 ppm2      0.230 CV     1
 ASSI {  240}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.300     0.700     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.51209E-02 ppm1      0.979 ppm2      2.209 CV     1
 ASSI {  242}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.98482E-02 ppm1      1.040 ppm2      2.276 CV     1
 ASSI {  243}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      3.700     1.700     1.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.10063E-02 ppm1      1.131 ppm2      0.362 CV     1
 ASSI {  244}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.700     1.300 peak   244 spectrum    1 weight  0.10000E+01 volume  0.48916E-03 ppm1      1.132 ppm2      0.231 CV     1
 ASSI {  245}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.28238E-02 ppm1      1.283 ppm2      0.696 CV     1
 ASSI {  247}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.600     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.78487E-02 ppm1      0.973 ppm2      2.137 CV     1
 ASSI {  248}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      2.800     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.40420E-02 ppm1      0.975 ppm2      1.625 CV     1
 ASSI {  249}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG1 ))
      2.800     2.800     3.200 peak   249 spectrum    1 weight  0.10000E+01 volume  0.10093E-02 ppm1      1.079 ppm2      1.933 CV     1
 ASSI {  252}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      2.900     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.30174E-02 ppm1      1.080 ppm2      3.021 CV     1
 ASSI {  253}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.000     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.25254E-02 ppm1      1.081 ppm2      2.886 CV     1
 ASSI {  255}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD1 ))
      3.700     1.700     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.43916E-03 ppm1      1.082 ppm2      3.459 CV     1
 ASSI {  257}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD2 ))
      4.400     2.400     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.54782E-03 ppm1      0.982 ppm2      3.581 CV     1
 ASSI {  258}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      3.800     1.800     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      0.973 ppm2      3.466 CV     1
 ASSI {  259}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.800     1.800     1.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      0.974 ppm2      4.211 CV     1
 ASSI {  260}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      0.971 ppm2      4.093 CV     1
 ASSI {  263}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.32813E-02 ppm1      0.979 ppm2      3.825 CV     1
 ASSI {  266}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.59049E-02 ppm1      1.040 ppm2      3.941 CV     1
 ASSI {  267}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
      4.000     2.000     2.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.12958E-02 ppm1      1.080 ppm2      4.033 CV     1
 ASSI {  268}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.34834E-02 ppm1      1.081 ppm2      4.740 CV     1
 ASSI {  269}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.63026E-02 ppm1      1.081 ppm2      4.631 CV     1
 ASSI {  271}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.84516E-02 ppm1      1.245 ppm2      4.372 CV     1
 ASSI {  272}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.48742E-02 ppm1      1.280 ppm2      4.337 CV     1
 ASSI {  273}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.300     0.700     0.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.86022E-02 ppm1      1.282 ppm2      4.229 CV     1
 ASSI {  274}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA1 ))
      4.200     2.200     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.36090E-03 ppm1      1.281 ppm2      4.079 CV     1
 OR {  274}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  277}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.99186E-02 ppm1      1.417 ppm2      4.852 CV     1
 ASSI {  278}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.10000E+01 volume  0.20512E-02 ppm1      1.417 ppm2      4.528 CV     1
 ASSI {  279}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      5.200     3.300     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.41460E-03 ppm1      1.419 ppm2      3.034 CV     1
 ASSI {  281}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      4.300     2.300     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.54624E-03 ppm1      1.082 ppm2      5.268 CV     1
 ASSI {  282}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   282 spectrum    1 weight  0.10000E+01 volume  0.22673E-02 ppm1      1.081 ppm2      5.048 CV     1
 ASSI {  283}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.32898E-02 ppm1      1.081 ppm2      4.963 CV     1
 ASSI {  284}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.37879E-03 ppm1      1.081 ppm2      7.216 CV     1
 ASSI {  285}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.200     1.200 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20819E-02 ppm1      1.081 ppm2      7.476 CV     1
 ASSI {  286}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.24361E-02 ppm1      0.973 ppm2      7.529 CV     1
 ASSI {  287}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.700     1.700     1.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.26094E-02 ppm1      0.978 ppm2      7.408 CV     1
 ASSI {  288}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.900     3.000     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.41279E-03 ppm1      1.417 ppm2      7.889 CV     1
 ASSI {  289}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.700     2.700     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.68641E-03 ppm1      1.418 ppm2      8.252 CV     1
 ASSI {  290}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.22418E-02 ppm1      1.281 ppm2      8.137 CV     1
 ASSI {  291}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.20097E-02 ppm1      1.244 ppm2      8.254 CV     1
 ASSI {  295}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      0.976 ppm2      8.485 CV     1
 ASSI {  296}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.21494E-02 ppm1      1.281 ppm2      8.610 CV     1
 ASSI {  300}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.19258E-02 ppm1      1.416 ppm2      8.841 CV     1
 ASSI {  302}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.800     2.800     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.54072E-03 ppm1      1.081 ppm2      8.993 CV     1
 ASSI {  303}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      3.000     1.100     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      1.065 ppm2      0.363 CV     1
 ASSI {  304}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
      3.000     1.100     1.100 peak   304 spectrum    1 weight  0.10000E+01 volume  0.74587E-03 ppm1      1.068 ppm2      0.225 CV     1
 OR {  304}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  306}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      2.800     2.800     3.200 peak   306 spectrum    1 weight  0.10000E+01 volume  0.10312E-02 ppm1      1.117 ppm2      0.694 CV     1
 ASSI {  308}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.23365E-02 ppm1      1.116 ppm2      1.452 CV     1
 ASSI {  312}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.40344E-02 ppm1      0.956 ppm2      1.415 CV     1
 ASSI {  313}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.600     0.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.82566E-02 ppm1      0.956 ppm2      1.781 CV     1
 OR {  313}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  316}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.300     1.400     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.85133E-03 ppm1      1.067 ppm2      2.039 CV     1
 OR {  316}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  318}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.600     0.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.78661E-02 ppm1      1.033 ppm2      2.209 CV     1
 ASSI {  321}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HG1 ))
      3.600     1.600     1.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.47474E-03 ppm1      1.118 ppm2      2.624 CV     1
 ASSI {  322}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.100     3.100     2.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.56395E-03 ppm1      1.118 ppm2      3.528 CV     1
 ASSI {  323}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
      3.000     3.000     3.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.63429E-03 ppm1      1.120 ppm2      3.206 CV     1
 OR {  323}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  324}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.700     0.900     0.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.12229E-02 ppm1      1.032 ppm2      3.569 CV     1
 ASSI {  326}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.56344E-02 ppm1      1.382 ppm2      4.186 CV     1
 ASSI {  329}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.73720E-02 ppm1      1.117 ppm2      3.940 CV     1
 ASSI {  331}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.85036E-02 ppm1      1.068 ppm2      4.310 CV     1
 OR {  331}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  332}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.62847E-03 ppm1      0.957 ppm2      4.749 CV     1
 ASSI {  333}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.88140E-02 ppm1      0.957 ppm2      4.318 CV     1
 ASSI {  339}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.49188E-02 ppm1      1.033 ppm2      7.406 CV     1
 ASSI {  342}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.000     2.000     2.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.24386E-02 ppm1      1.382 ppm2      8.148 CV     1
 ASSI {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.54389E-02 ppm1      1.117 ppm2      8.458 CV     1
 ASSI {  346}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.17033E-02 ppm1      0.956 ppm2      8.454 CV     1
 ASSI {  347}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.47453E-03 ppm1      1.069 ppm2      8.742 CV     1
 OR {  347}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  348}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.300     2.300     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.39159E-03 ppm1      1.073 ppm2      8.266 CV     1
 OR {  348}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  349}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.53598E-02 ppm1      1.417 ppm2      9.034 CV     1
 ASSI {  350}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.20761E-02 ppm1      1.387 ppm2      8.837 CV     1
 ASSI {  351}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.20625E-02 ppm1      1.134 ppm2      9.097 CV     1
 ASSI {  352}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.600     1.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.12914E-02 ppm1      0.461 ppm2      8.999 CV     1
 ASSI {  355}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.11963E-02 ppm1      0.692 ppm2      8.464 CV     1
 ASSI {  360}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      4.000     2.000     2.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.89830E-03 ppm1      0.885 ppm2      7.964 CV     1
 ASSI {  361}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      0.988 ppm2      8.278 CV     1
 ASSI {  362}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.13677E-02 ppm1      0.883 ppm2      9.432 CV     1
 ASSI {  366}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      4.100     2.100     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.48921E-03 ppm1      1.135 ppm2      8.014 CV     1
 ASSI {  368}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.17992E-02 ppm1      1.135 ppm2      7.709 CV     1
 ASSI {  369}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.71152E-03 ppm1      1.387 ppm2      8.243 CV     1
 ASSI {  372}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.200     1.200 peak   372 spectrum    1 weight  0.10000E+01 volume  0.16129E-02 ppm1      0.459 ppm2      7.509 CV     1
 ASSI {  373}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.17626E-02 ppm1      0.460 ppm2      7.327 CV     1
 OR {  373}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  376}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.84123E-03 ppm1      0.359 ppm2      7.104 CV     1
 ASSI {  378}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.300     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      0.229 ppm2      7.119 CV     1
 ASSI {  381}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   381 spectrum    1 weight  0.10000E+01 volume  0.27506E-03 ppm1      0.696 ppm2      8.243 CV     1
 ASSI {  382}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.300     2.300     1.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.47074E-03 ppm1      0.886 ppm2      7.333 CV     1
 ASSI {  383}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.700     1.700     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.54200E-03 ppm1      0.763 ppm2      7.119 CV     1
 ASSI {  384}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.25386E-02 ppm1      0.764 ppm2      6.924 CV     1
 ASSI {  385}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   385 spectrum    1 weight  0.10000E+01 volume  0.13811E-02 ppm1      0.762 ppm2      6.759 CV     1
 ASSI {  386}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      2.900     1.100     1.100 peak   386 spectrum    1 weight  0.10000E+01 volume  0.23229E-02 ppm1      0.694 ppm2      7.312 CV     1
 ASSI {  390}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.700     1.700     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.53603E-03 ppm1      0.694 ppm2      6.758 CV     1
 ASSI {  392}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak   392 spectrum    1 weight  0.10000E+01 volume  0.14706E-02 ppm1      0.360 ppm2      6.921 CV     1
 OR {  392}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  394}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.300     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.17631E-02 ppm1      0.228 ppm2      6.943 CV     1
 ASSI {  396}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      4.000     2.000     2.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.55905E-03 ppm1      1.044 ppm2      6.923 CV     1
 ASSI {  398}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.39259E-02 ppm1      1.135 ppm2      7.299 CV     1
 ASSI {  399}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
      4.600     2.700     1.400 peak   399 spectrum    1 weight  0.10000E+01 volume  0.60902E-03 ppm1      1.132 ppm2      7.119 CV     1
 ASSI {  400}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 35   and name HZ  ))
      3.900     1.900     1.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.14840E-02 ppm1      1.136 ppm2      6.921 CV     1
 OR {  400}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  401}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.300     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.79370E-03 ppm1      0.988 ppm2      7.450 CV     1
 ASSI {  403}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
      4.400     2.400     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.65670E-03 ppm1      1.043 ppm2      7.332 CV     1
 OR {  403}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  406}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      2.900     1.100     1.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.32711E-02 ppm1      1.386 ppm2      7.329 CV     1
 OR {  406}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  407}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.37675E-02 ppm1      1.385 ppm2      7.214 CV     1
 ASSI {  409}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      5.300     3.600     0.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.27967E-03 ppm1      1.137 ppm2      5.271 CV     1
 ASSI {  412}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.600     0.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.69784E-02 ppm1      1.134 ppm2      4.446 CV     1
 ASSI {  413}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.47815E-02 ppm1      1.135 ppm2      4.310 CV     1
 ASSI {  415}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.15935E-02 ppm1      1.136 ppm2      3.987 CV     1
 ASSI {  416}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.73505E-02 ppm1      1.386 ppm2      4.321 CV     1
 ASSI {  418}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.47067E-02 ppm1      1.387 ppm2      3.869 CV     1
 ASSI {  419}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.000     0.500     0.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11150E-01 ppm1      0.988 ppm2      4.216 CV     1
 ASSI {  420}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.96527E-02 ppm1      1.047 ppm2      4.214 CV     1
 ASSI {  422}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.600     0.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.85685E-02 ppm1      1.040 ppm2      4.313 CV     1
 ASSI {  424}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.33950E-03 ppm1      0.990 ppm2      4.905 CV     1
 ASSI {  425}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.700     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.46216E-03 ppm1      0.989 ppm2      4.682 CV     1
 ASSI {  426}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.80366E-02 ppm1      0.885 ppm2      4.365 CV     1
 ASSI {  429}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.86690E-02 ppm1      0.694 ppm2      4.366 CV     1
 ASSI {  435}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 17   and name HB1 ))
      4.600     2.700     1.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.36563E-03 ppm1      0.361 ppm2      4.151 CV     1
 ASSI {  436}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.36574E-02 ppm1      0.359 ppm2      3.893 CV     1
 ASSI {  439}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.10475E-02 ppm1      0.226 ppm2      4.268 CV     1
 ASSI {  440}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA1 ))
      4.900     3.000     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.49171E-03 ppm1      0.229 ppm2      4.131 CV     1
 ASSI {  444}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.78732E-03 ppm1      0.359 ppm2      3.587 CV     1
 ASSI {  445}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.47815E-03 ppm1      0.229 ppm2      3.596 CV     1
 ASSI {  452}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.22185E-02 ppm1      0.886 ppm2      4.910 CV     1
 ASSI {  453}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.75807E-02 ppm1      0.460 ppm2      3.310 CV     1
 ASSI {  454}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.42593E-03 ppm1      0.693 ppm2      3.522 CV     1
 ASSI {  455}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   455 spectrum    1 weight  0.10000E+01 volume  0.20000E-02 ppm1      0.695 ppm2      3.295 CV     1
 ASSI {  456}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.600     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.19973E-02 ppm1      0.988 ppm2      3.459 CV     1
 ASSI {  457}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.300     1.300 peak   457 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      0.887 ppm2      3.092 CV     1
 ASSI {  458}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.800     2.900     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.27604E-03 ppm1      0.768 ppm2      3.540 CV     1
 ASSI {  461}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.34160E-03 ppm1      0.362 ppm2      3.017 CV     1
 ASSI {  463}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.900     1.900     1.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.43443E-03 ppm1      0.232 ppm2      3.032 CV     1
 ASSI {  465}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.50208E-03 ppm1      0.230 ppm2      3.095 CV     1
 ASSI {  472}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.800     1.800     1.800 peak   472 spectrum    1 weight  0.10000E+01 volume  0.19719E-02 ppm1      0.886 ppm2      2.770 CV     1
 ASSI {  473}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      0.990 ppm2      2.795 CV     1
 ASSI {  475}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD1 ))
      4.400     2.500     1.600 peak   475 spectrum    1 weight  0.10000E+01 volume  0.31513E-03 ppm1      1.043 ppm2      3.108 CV     1
 ASSI {  479}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.900     1.900     1.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.88227E-03 ppm1      1.136 ppm2      2.051 CV     1
 ASSI {  482}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.33043E-02 ppm1      1.135 ppm2      1.711 CV     1
 ASSI {  483}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.72658E-02 ppm1      1.040 ppm2      2.034 CV     1
 ASSI {  486}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.200     0.600     0.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.57482E-02 ppm1      0.988 ppm2      1.839 CV     1
 ASSI {  487}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.23685E-02 ppm1      0.988 ppm2      2.016 CV     1
 ASSI {  488}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      4.300     2.300     1.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.15655E-02 ppm1      0.887 ppm2      2.012 CV     1
 ASSI {  489}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.27236E-02 ppm1      0.764 ppm2      1.984 CV     1
 ASSI {  490}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.400     0.700     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.53838E-02 ppm1      0.763 ppm2      1.885 CV     1
 ASSI {  492}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.32523E-02 ppm1      0.460 ppm2      2.017 CV     1
 ASSI {  494}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.500     1.500     1.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.23021E-02 ppm1      0.460 ppm2      2.236 CV     1
 ASSI {  496}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.24051E-02 ppm1      0.360 ppm2      1.637 CV     1
 ASSI {  498}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.26871E-02 ppm1      0.228 ppm2      1.631 CV     1
 ASSI {  499}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.27717E-02 ppm1      0.229 ppm2      1.517 CV     1
 ASSI {  500}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HG2 ))
      3.900     1.900     1.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.15267E-02 ppm1      0.461 ppm2      1.520 CV     1
 ASSI {  501}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.500     0.800     0.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.49191E-02 ppm1      0.694 ppm2      1.580 CV     1
 ASSI {  502}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      4.100     2.100     1.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.77798E-03 ppm1      0.762 ppm2      1.672 CV     1
 ASSI {  506}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      2.900     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.56528E-02 ppm1      0.988 ppm2      1.566 CV     1
 ASSI {  508}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
      3.600     1.600     1.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.35077E-02 ppm1      1.136 ppm2      2.278 CV     1
 ASSI {  509}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.63465E-02 ppm1      0.887 ppm2      1.713 CV     1
 ASSI {  510}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.61111E-02 ppm1      0.885 ppm2      1.610 CV     1
 ASSI {  511}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.40413E-02 ppm1      0.885 ppm2      1.476 CV     1
 ASSI {  512}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.27243E-02 ppm1      0.764 ppm2      1.440 CV     1
 ASSI {  513}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.26092E-02 ppm1      0.693 ppm2      1.447 CV     1
 ASSI {  514}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.52776E-02 ppm1      0.693 ppm2      1.261 CV     1
 ASSI {  518}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.400     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.79294E-02 ppm1      0.761 ppm2      0.884 CV     1
 ASSI {  519}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.60994E-02 ppm1      0.460 ppm2      1.193 CV     1
 ASSI {  520}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.600     0.800     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.56961E-02 ppm1      0.460 ppm2      1.144 CV     1
 ASSI {  521}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.41344E-02 ppm1      0.460 ppm2      1.036 CV     1
 ASSI {  522}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
      2.600     0.900     0.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.47490E-02 ppm1      0.460 ppm2      0.885 CV     1
 ASSI {  523}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.200     0.600     0.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.12817E-01 ppm1      0.460 ppm2      0.789 CV     1
 ASSI {  524}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.47973E-02 ppm1      0.359 ppm2      1.349 CV     1
 ASSI {  526}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD2%)
      3.200     1.300     1.300 peak   526 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      0.360 ppm2      1.087 CV     1
 OR {  526}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  528}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      2.700     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.36057E-02 ppm1      0.461 ppm2      1.390 CV     1
 ASSI {  529}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.50272E-02 ppm1      0.227 ppm2      1.355 CV     1
 ASSI {  531}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG1%)
      4.400     2.400     1.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.99988E-03 ppm1      0.226 ppm2      1.110 CV     1
 ASSI {  539}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.65409E-03 ppm1      0.764 ppm2      0.351 CV     1
 ASSI {  542}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.000     2.000     2.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.10537E-02 ppm1      1.135 ppm2      0.361 CV     1
 ASSI {  550}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.700     1.700     1.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.16917E-02 ppm1      0.760 ppm2      0.230 CV     1
 ASSI {  555}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.200     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.24955E-02 ppm1      0.647 ppm2      1.376 CV     1
 ASSI {  556}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.28918E-02 ppm1      0.609 ppm2      1.362 CV     1
 ASSI {  557}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
      2.700     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.49930E-02 ppm1      0.647 ppm2      1.007 CV     1
 OR {  557}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  564}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.23857E-02 ppm1      0.781 ppm2      1.382 CV     1
 ASSI {  570}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.24690E-02 ppm1      0.796 ppm2      0.608 CV     1
 ASSI {  571}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.700     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.36377E-02 ppm1      0.796 ppm2      1.143 CV     1
 ASSI {  573}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      2.800     1.000     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.20347E-02 ppm1      0.794 ppm2      1.687 CV     1
 ASSI {  577}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.300     0.600     0.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.88548E-02 ppm1      0.609 ppm2      1.573 CV     1
 OR {  577}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  578}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.16960E-02 ppm1      0.611 ppm2      1.941 CV     1
 ASSI {  580}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      4.200     2.200     1.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.75144E-03 ppm1      0.800 ppm2      2.211 CV     1
 ASSI {  583}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.18643E-02 ppm1      0.649 ppm2      2.704 CV     1
 ASSI {  584}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      0.612 ppm2      2.700 CV     1
 ASSI {  585}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.58416E-03 ppm1      0.781 ppm2      3.611 CV     1
 ASSI {  586}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.700     1.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.92418E-03 ppm1      0.781 ppm2      3.307 CV     1
 ASSI {  588}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.300     0.600     0.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.66813E-02 ppm1      0.797 ppm2      3.889 CV     1
 ASSI {  589}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.37146E-02 ppm1      1.065 ppm2      4.276 CV     1
 ASSI {  593}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      1.064 ppm2      1.878 CV     1
 ASSI {  594}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.29383E-02 ppm1      1.012 ppm2      1.878 CV     1
 ASSI {  595}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.33759E-02 ppm1      1.014 ppm2      1.846 CV     1
 OR {  595}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  596}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.800     0.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.38244E-02 ppm1      1.011 ppm2      1.739 CV     1
 ASSI {  597}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.28150E-02 ppm1      1.065 ppm2      1.736 CV     1
 ASSI {  598}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
      4.200     2.200     1.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.90473E-03 ppm1      0.958 ppm2      2.771 CV     1
 ASSI {  599}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H28A))
      4.200     2.200     1.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.36959E-03 ppm1      1.068 ppm2      3.465 CV     1
 ASSI {  600}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28A))
      4.300     2.300     1.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.57865E-03 ppm1      1.016 ppm2      3.469 CV     1
 ASSI {  601}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name H28B))
      4.200     2.200     1.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.34291E-03 ppm1      1.065 ppm2      3.921 CV     1
 ASSI {  602}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28B))
      4.300     2.300     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.59105E-03 ppm1      1.013 ppm2      3.920 CV     1
 ASSI {  615}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.800     1.800     1.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.71183E-03 ppm1      0.650 ppm2      7.442 CV     1
 ASSI {  616}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      4.100     2.100     1.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.76374E-03 ppm1      0.610 ppm2      7.443 CV     1
 ASSI {  617}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      5.100     3.200     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.31478E-03 ppm1      0.647 ppm2      7.330 CV     1
 ASSI {  618}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.800     2.900     1.200 peak   618 spectrum    1 weight  0.10000E+01 volume  0.29440E-03 ppm1      0.602 ppm2      7.329 CV     1
 ASSI {  619}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      3.100     1.200     1.200 peak   619 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      0.649 ppm2      6.814 CV     1
 ASSI {  620}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      4.100     2.100     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.88901E-03 ppm1      0.609 ppm2      6.814 CV     1
 ASSI {  622}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
      3.500     1.600     1.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.20185E-02 ppm1      0.781 ppm2      6.898 CV     1
 OR {  622}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
 OR {  622}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR {  622}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  627}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.44362E-03 ppm1      0.608 ppm2      8.069 CV     1
 ASSI {  632}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.82494E-03 ppm1      1.064 ppm2      7.781 CV     1
 ASSI {  633}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.700     2.700     1.300 peak   633 spectrum    1 weight  0.10000E+01 volume  0.62153E-03 ppm1      1.010 ppm2      7.781 CV     1
 ASSI {  634}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 44   and name HN  ))
      5.000     3.200     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.39451E-03 ppm1      1.069 ppm2      8.151 CV     1
 ASSI {  635}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.400     1.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.36529E-03 ppm1      1.013 ppm2      8.149 CV     1
 ASSI {  638}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14767E-02 ppm1      0.647 ppm2      9.035 CV     1
 ASSI {  639}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.57181E-03 ppm1      0.613 ppm2      9.036 CV     1
 ASSI {  641}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.500     1.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.41222E-03 ppm1      0.610 ppm2      9.426 CV     1
 ASSI {  642}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.69810E-03 ppm1      0.795 ppm2      9.428 CV     1
 ASSI {  643}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.30731E-02 ppm1      2.043 ppm2      8.414 CV     1
 ASSI {  647}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.200     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      0.984 ppm2      9.429 CV     1
 ASSI {  648}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.21568E-02 ppm1      2.181 ppm2      7.308 CV     1
 ASSI {  651}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.100     1.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      0.896 ppm2      7.217 CV     1
 ASSI {  652}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.13741E-02 ppm1      0.802 ppm2      8.460 CV     1
 ASSI {  653}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.000     1.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.97808E-03 ppm1      1.306 ppm2      7.312 CV     1
 ASSI {  655}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.400     2.400     1.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.94934E-03 ppm1      1.310 ppm2      6.915 CV     1
 OR {  655}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  657}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.63281E-03 ppm1      2.184 ppm2      6.918 CV     1
 OR {  657}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  658}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.300     2.300     1.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.96802E-03 ppm1      0.983 ppm2      8.275 CV     1
 ASSI {  659}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      4.800     2.900     1.200 peak   659 spectrum    1 weight  0.10000E+01 volume  0.47615E-03 ppm1      0.981 ppm2      7.717 CV     1
 ASSI {  660}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.300     1.400     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.22809E-02 ppm1      0.982 ppm2      6.891 CV     1
 ASSI {  661}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak   661 spectrum    1 weight  0.10000E+01 volume  0.61183E-03 ppm1      0.984 ppm2      7.444 CV     1
 ASSI {  662}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.200     1.300     1.300 peak   662 spectrum    1 weight  0.10000E+01 volume  0.13410E-02 ppm1      0.896 ppm2      6.915 CV     1
 OR {  662}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  664}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      0.892 ppm2      8.408 CV     1
 ASSI {  665}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.24141E-02 ppm1      0.868 ppm2      8.413 CV     1
 ASSI {  667}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.66405E-03 ppm1      0.867 ppm2      8.980 CV     1
 ASSI {  671}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.600     1.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      1.694 ppm2      3.892 CV     1
 ASSI {  673}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.36917E-03 ppm1      1.692 ppm2      4.480 CV     1
 ASSI {  675}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      4.800     2.900     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.31611E-03 ppm1      1.064 ppm2      8.475 CV     1
 ASSI {  676}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     1.700 peak   676 spectrum    1 weight  0.10000E+01 volume  0.10607E-02 ppm1      1.062 ppm2      7.209 CV     1
 ASSI {  677}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      3.300     3.300     2.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.42967E-03 ppm1      0.803 ppm2      6.965 CV     1
 ASSI {  678}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.59488E-03 ppm1      0.803 ppm2      6.756 CV     1
 ASSI {  682}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.600     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.22270E-03 ppm1      1.312 ppm2      4.966 CV     1
 ASSI {  683}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.25392E-02 ppm1      0.985 ppm2      4.911 CV     1
 ASSI {  685}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.31012E-02 ppm1      0.984 ppm2      4.362 CV     1
 ASSI {  689}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      0.870 ppm2      4.314 CV     1
 ASSI {  690}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      0.871 ppm2      4.218 CV     1
 ASSI {  691}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak   691 spectrum    1 weight  0.10000E+01 volume  0.14962E-02 ppm1      0.802 ppm2      4.369 CV     1
 ASSI {  692}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      3.100     3.100     2.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.61729E-03 ppm1      0.804 ppm2      3.939 CV     1
 ASSI {  693}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   693 spectrum    1 weight  0.10000E+01 volume  0.18004E-02 ppm1      0.897 ppm2      3.523 CV     1
 ASSI {  696}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 56   and name HB1 ))
      5.800     4.200     0.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.10080E-03 ppm1      0.993 ppm2      3.433 CV     1
 ASSI {  697}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      4.200     2.200     1.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.55548E-03 ppm1      0.987 ppm2      3.457 CV     1
 ASSI {  698}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.500     1.600     1.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.18078E-02 ppm1      1.064 ppm2      3.293 CV     1
 ASSI {  700}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.500     1.500 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11153E-02 ppm1      2.043 ppm2      4.308 CV     1
 ASSI {  702}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.500     0.800     0.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.18451E-02 ppm1      2.181 ppm2      4.029 CV     1
 ASSI {  703}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.85399E-03 ppm1      2.184 ppm2      4.236 CV     1
 ASSI {  704}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      2.178 ppm2      3.304 CV     1
 ASSI {  705}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   705 spectrum    1 weight  0.10000E+01 volume  0.14859E-02 ppm1      1.064 ppm2      3.016 CV     1
 ASSI {  707}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.600     0.800     0.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.17347E-02 ppm1      1.314 ppm2      2.806 CV     1
 ASSI {  708}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak   708 spectrum    1 weight  0.10000E+01 volume  0.67880E-03 ppm1      1.306 ppm2      3.309 CV     1
 ASSI {  709}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      1.800     0.400     0.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.62163E-02 ppm1      1.312 ppm2      2.186 CV     1
 ASSI {  710}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      1.308 ppm2      2.011 CV     1
 ASSI {  711}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.600     0.800     0.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.24222E-02 ppm1      1.694 ppm2      2.198 CV     1
 ASSI {  715}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.16655E-02 ppm1      2.043 ppm2      1.457 CV     1
 ASSI {  716}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.200     1.300     1.300 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13712E-02 ppm1      2.043 ppm2      1.671 CV     1
 ASSI {  720}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.10488E-01 ppm1      2.043 ppm2      0.868 CV     1
 ASSI {  721}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      2.000     0.500     0.500 peak   721 spectrum    1 weight  0.10000E+01 volume  0.16933E-01 ppm1      1.693 ppm2      0.877 CV     1
 ASSI {  722}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.18836E-02 ppm1      1.585 ppm2      1.249 CV     1
 ASSI {  724}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 26   and name HD2%)
      2.300     0.700     0.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.69631E-02 ppm1      1.585 ppm2      0.802 CV     1
 ASSI {  727}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak   727 spectrum    1 weight  0.10000E+01 volume  0.26899E-02 ppm1      1.063 ppm2      1.414 CV     1
 ASSI {  728}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.700     0.700 peak   728 spectrum    1 weight  0.10000E+01 volume  0.67456E-02 ppm1      1.062 ppm2      1.780 CV     1
 OR {  728}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  731}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.400     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.39536E-02 ppm1      0.983 ppm2      1.843 CV     1
 ASSI {  733}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.37895E-02 ppm1      0.985 ppm2      2.015 CV     1
 ASSI {  737}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.57926E-02 ppm1      0.803 ppm2      1.452 CV     1
 ASSI {  738}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.000     1.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      0.799 ppm2      1.229 CV     1
 ASSI {  741}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.40675E-02 ppm1      0.896 ppm2      1.990 CV     1
 ASSI {  742}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.200     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.99150E-02 ppm1      0.896 ppm2      1.887 CV     1
 ASSI {  743}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.26798E-02 ppm1      0.896 ppm2      1.444 CV     1
 ASSI {  749}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.50912E-02 ppm1      0.871 ppm2      1.455 CV     1
 ASSI {  750}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.33835E-02 ppm1      0.875 ppm2      1.398 CV     1
 ASSI {  751}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.11176E-02 ppm1      2.185 ppm2      2.002 CV     1
 ASSI {  755}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
      3.300     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.81678E-03 ppm1      0.980 ppm2      0.363 CV     1
 ASSI {  756}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      2.800     2.800     3.200 peak   756 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      0.981 ppm2      0.225 CV     1
 ASSI {  760}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.200     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.14201E-02 ppm1      2.041 ppm2      1.137 CV     1
 ASSI {  763}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      3.000     1.100     1.100 peak   763 spectrum    1 weight  0.10000E+01 volume  0.12341E-02 ppm1      1.570 ppm2      0.615 CV     1
 ASSI {  764}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      1.800     0.400     0.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10008E-01 ppm1      1.405 ppm2      1.165 CV     1
 ASSI {  769}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.400     1.400     1.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.23218E-02 ppm1      2.144 ppm2      1.027 CV     1
 OR {  769}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  772}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HG1 ))
      1.800     0.400     0.400 peak   772 spectrum    1 weight  0.10000E+01 volume  0.96021E-02 ppm1      0.991 ppm2      1.368 CV     1
 ASSI {  777}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HG12))
      1.700     0.300     0.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11920E-01 ppm1      1.482 ppm2      1.117 CV     1
 ASSI {  778}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HG2%)
      3.500     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.19704E-02 ppm1      1.482 ppm2      1.025 CV     1
 ASSI {  780}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.34069E-02 ppm1      1.202 ppm2      1.031 CV     1
 ASSI {  786}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 33   and name HD1%)
      4.100     2.100     1.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.96037E-03 ppm1      1.835 ppm2      0.983 CV     1
 ASSI {  788}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.500     1.500 peak   788 spectrum    1 weight  0.10000E+01 volume  0.22895E-02 ppm1      1.833 ppm2      1.062 CV     1
 ASSI {  789}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.47196E-02 ppm1      1.858 ppm2      0.984 CV     1
 OR {  789}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  791}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HG2 ))
      1.900     0.500     0.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.60744E-02 ppm1      1.658 ppm2      1.516 CV     1
 ASSI {  792}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.100     0.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.89156E-02 ppm1      1.713 ppm2      1.488 CV     1
 ASSI {  793}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.58130E-02 ppm1      1.563 ppm2      1.365 CV     1
 ASSI {  794}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.800     0.800 peak   794 spectrum    1 weight  0.10000E+01 volume  0.83602E-02 ppm1      1.715 ppm2      1.604 CV     1
 ASSI {  803}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.600     0.300     0.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.91499E-02 ppm1      1.545 ppm2      1.832 CV     1
 ASSI {  804}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.800     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.23870E-02 ppm1      1.406 ppm2      2.049 CV     1
 OR {  804}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  807}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.300     0.600     0.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.74011E-02 ppm1      1.131 ppm2      1.890 CV     1
 ASSI {  808}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak   808 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      1.130 ppm2      2.337 CV     1
 ASSI {  809}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.500     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.31119E-02 ppm1      1.130 ppm2      2.239 CV     1
 ASSI {  810}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.29654E-02 ppm1      1.166 ppm2      2.045 CV     1
 OR {  810}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  811}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.21759E-02 ppm1      0.989 ppm2      1.625 CV     1
 ASSI {  813}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.500     0.800     0.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.46255E-02 ppm1      1.751 ppm2      2.078 CV     1
 OR {  813}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  816}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.49731E-02 ppm1      2.152 ppm2      2.544 CV     1
 OR {  816}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  817}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.700     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.29126E-02 ppm1      1.407 ppm2      3.206 CV     1
 OR {  817}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  818}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.000     1.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.18896E-02 ppm1      1.364 ppm2      3.094 CV     1
 ASSI {  821}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.900     1.000     1.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      1.519 ppm2      3.019 CV     1
 ASSI {  822}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.300     1.300     1.300 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11687E-02 ppm1      1.544 ppm2      2.457 CV     1
 ASSI {  823}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.600     0.800     0.800 peak   823 spectrum    1 weight  0.10000E+01 volume  0.42945E-02 ppm1      1.754 ppm2      3.272 CV     1
 OR {  823}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  823}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR {  823}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  824}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.200     1.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.13627E-02 ppm1      1.659 ppm2      3.610 CV     1
 ASSI {  825}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.500     1.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.13985E-02 ppm1      1.513 ppm2      3.608 CV     1
 ASSI {  828}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   828 spectrum    1 weight  0.10000E+01 volume  0.14051E-02 ppm1      1.408 ppm2      3.528 CV     1
 ASSI {  833}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.700     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.30421E-02 ppm1      1.166 ppm2      3.205 CV     1
 OR {  833}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  838}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.40920E-03 ppm1      1.130 ppm2      3.615 CV     1
 ASSI {  842}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.400     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.46022E-02 ppm1      2.142 ppm2      3.575 CV     1
 OR {  842}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  843}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
      4.800     2.900     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.88222E-03 ppm1      2.153 ppm2      4.660 CV     1
 OR {  843}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  844}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.16336E-02 ppm1      2.150 ppm2      4.534 CV     1
 OR {  844}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  849}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.19787E-02 ppm1      1.715 ppm2      4.359 CV     1
 ASSI {  853}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.200     1.200 peak   853 spectrum    1 weight  0.10000E+01 volume  0.94271E-03 ppm1      1.781 ppm2      4.748 CV     1
 ASSI {  854}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak   854 spectrum    1 weight  0.10000E+01 volume  0.11306E-02 ppm1      1.564 ppm2      4.532 CV     1
 ASSI {  855}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.59202E-03 ppm1      1.539 ppm2      4.669 CV     1
 ASSI {  860}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.15248E-02 ppm1      1.114 ppm2      4.663 CV     1
 ASSI {  861}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.100     1.200     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.18054E-02 ppm1      1.130 ppm2      7.335 CV     1
 OR {  861}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  862}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.000     1.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.24089E-02 ppm1      1.129 ppm2      7.215 CV     1
 ASSI {  863}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.400     2.400     1.600 peak   863 spectrum    1 weight  0.10000E+01 volume  0.61254E-03 ppm1      1.130 ppm2      6.893 CV     1
 ASSI {  864}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.33355E-02 ppm1      1.202 ppm2      7.510 CV     1
 ASSI {  866}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.500     2.600     1.500 peak   866 spectrum    1 weight  0.10000E+01 volume  0.90417E-03 ppm1      1.536 ppm2      6.971 CV     1
 ASSI {  869}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.25132E-02 ppm1      1.783 ppm2      7.208 CV     1
 ASSI {  875}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.39560E-02 ppm1      1.717 ppm2      8.150 CV     1
 ASSI {  876}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      1.826 ppm2      8.012 CV     1
 ASSI {  878}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.10405E-02 ppm1      1.364 ppm2      8.088 CV     1
 ASSI {  879}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.600     2.700     1.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.78538E-03 ppm1      1.131 ppm2      8.068 CV     1
 ASSI {  880}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      3.800     1.800     1.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      1.115 ppm2      8.143 CV     1
 ASSI {  881}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.500     2.600     1.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.66369E-03 ppm1      0.994 ppm2      8.090 CV     1
 ASSI {  882}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.22970E-02 ppm1      1.352 ppm2      8.466 CV     1
 ASSI {  885}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.16057E-02 ppm1      1.563 ppm2      9.431 CV     1
 ASSI {  886}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.68258E-03 ppm1      1.129 ppm2      8.842 CV     1
 ASSI {  887}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.400     1.400 peak   887 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      1.129 ppm2      8.729 CV     1
 ASSI {  893}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   893 spectrum    1 weight  0.10000E+01 volume  0.12262E-02 ppm1      1.981 ppm2      8.115 CV     1
 ASSI {  899}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.33711E-02 ppm1      2.347 ppm2      8.515 CV     1
 ASSI {  906}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.900     1.900     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.49126E-03 ppm1      1.621 ppm2      7.999 CV     1
 ASSI {  910}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.13697E-02 ppm1      1.630 ppm2      3.350 CV     1
 ASSI {  911}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.800     1.000     1.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.24995E-02 ppm1      1.701 ppm2      3.334 CV     1
 ASSI {  915}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   915 spectrum    1 weight  0.10000E+01 volume  0.14921E-02 ppm1      1.982 ppm2      4.244 CV     1
 ASSI {  919}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      2.206 ppm2      4.233 CV     1
 ASSI {  926}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.700     0.900     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.24165E-02 ppm1      2.362 ppm2      2.763 CV     1
 ASSI {  929}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      3.000     1.100     1.100 peak   929 spectrum    1 weight  0.10000E+01 volume  0.23120E-02 ppm1      2.207 ppm2      2.611 CV     1
 ASSI {  930}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.400     0.700     0.700 peak   930 spectrum    1 weight  0.10000E+01 volume  0.80846E-02 ppm1      2.137 ppm2      2.500 CV     1
 OR {  930}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  931}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.36840E-02 ppm1      2.207 ppm2      2.467 CV     1
 ASSI {  934}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.700     0.900     0.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.44679E-02 ppm1      1.971 ppm2      2.196 CV     1
 ASSI {  935}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.97818E-02 ppm1      1.981 ppm2      1.739 CV     1
 ASSI {  936}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.700     0.400     0.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.11006E-01 ppm1      1.921 ppm2      1.695 CV     1
 ASSI {  937}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.700     0.900     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      1.733 ppm2      2.197 CV     1
 ASSI {  938}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.100     1.200     1.200 peak   938 spectrum    1 weight  0.10000E+01 volume  0.20983E-02 ppm1      1.629 ppm2      2.173 CV     1
 ASSI {  940}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      1.900     0.400     0.400 peak   940 spectrum    1 weight  0.10000E+01 volume  0.73087E-02 ppm1      1.626 ppm2      1.945 CV     1
 ASSI {  942}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.200     1.200 peak   942 spectrum    1 weight  0.10000E+01 volume  0.21852E-02 ppm1      1.289 ppm2      1.938 CV     1
 ASSI {  950}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.900     2.900     1.100 peak   950 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      1.873 ppm2      1.031 CV     1
 ASSI {  951}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      5.000     3.100     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.35977E-03 ppm1      1.873 ppm2      0.778 CV     1
 ASSI {  952}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.000     3.200     1.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.35743E-03 ppm1      1.871 ppm2      0.448 CV     1
 ASSI {  953}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      4.300     2.400     1.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.32880E-03 ppm1      1.612 ppm2      0.455 CV     1
 ASSI {  956}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.100     1.200     1.200 peak   956 spectrum    1 weight  0.10000E+01 volume  0.93888E-03 ppm1      2.475 ppm2      1.132 CV     1
 ASSI {  962}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.400     0.400 peak   962 spectrum    1 weight  0.10000E+01 volume  0.62510E-02 ppm1      1.861 ppm2      2.177 CV     1
 ASSI {  965}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.900     1.000     1.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.24874E-02 ppm1      2.127 ppm2      2.539 CV     1
 ASSI {  966}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.800     1.000     1.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.38750E-02 ppm1      2.129 ppm2      2.468 CV     1
 ASSI {  967}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.83219E-02 ppm1      2.076 ppm2      2.410 CV     1
 OR {  967}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  968}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.700     0.900     0.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.27083E-02 ppm1      2.475 ppm2      2.638 CV     1
 ASSI {  969}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.800     0.400     0.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.72581E-02 ppm1      2.474 ppm2      2.278 CV     1
 ASSI {  974}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.600     0.300     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.23405E-01 ppm1      2.076 ppm2      2.233 CV     1
 ASSI {  975}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.600     0.900     0.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.27008E-02 ppm1      2.148 ppm2      2.621 CV     1
 ASSI {  976}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.600     0.800     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.60264E-02 ppm1      2.146 ppm2      2.393 CV     1
 ASSI {  978}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      1.800     0.400     0.400 peak   978 spectrum    1 weight  0.10000E+01 volume  0.90029E-02 ppm1      2.197 ppm2      2.028 CV     1
 ASSI {  985}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   985 spectrum    1 weight  0.10000E+01 volume  0.88385E-03 ppm1      1.604 ppm2      3.610 CV     1
 ASSI {  987}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.800     1.800     1.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.76920E-03 ppm1      1.605 ppm2      3.495 CV     1
 ASSI {  991}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   991 spectrum    1 weight  0.10000E+01 volume  0.16885E-02 ppm1      2.200 ppm2      4.243 CV     1
 ASSI {  996}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.44786E-02 ppm1      2.146 ppm2      4.208 CV     1
 ASSI {  997}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.18477E-02 ppm1      2.031 ppm2      4.566 CV     1
 OR {  997}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  999}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak   999 spectrum    1 weight  0.10000E+01 volume  0.18268E-02 ppm1      2.474 ppm2      4.242 CV     1
 ASSI { 1000}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.200     1.200 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.21707E-02 ppm1      2.279 ppm2      7.748 CV     1
 ASSI { 1003}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.200     1.200 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.82612E-03 ppm1      2.469 ppm2      7.718 CV     1
 ASSI { 1006}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.200     1.300     1.300 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      2.047 ppm2      7.219 CV     1
 OR { 1006}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1007}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.28362E-02 ppm1      2.030 ppm2      7.708 CV     1
 OR { 1007}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1010}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.18591E-02 ppm1      2.035 ppm2      8.111 CV     1
 ASSI { 1018}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.22797E-02 ppm1      2.262 ppm2      8.222 CV     1
 ASSI { 1019}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.28718E-02 ppm1      2.146 ppm2      8.219 CV     1
 ASSI { 1021}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      2.202 ppm2      8.413 CV     1
 ASSI { 1023}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.12866E-02 ppm1      2.238 ppm2      8.482 CV     1
 ASSI { 1024}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HE  ))
      3.300     1.300     1.300 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.48591E-03 ppm1      1.612 ppm2      9.074 CV     1
 ASSI { 1027}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.53205E-03 ppm1      2.478 ppm2      9.099 CV     1
 ASSI { 1028}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.62051E-03 ppm1      2.280 ppm2      9.088 CV     1
 ASSI { 1029}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.47185E-03 ppm1      2.187 ppm2      9.551 CV     1
 ASSI { 1030}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.40827E-02 ppm1      1.618 ppm2      8.090 CV     1
 ASSI { 1031}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.36228E-02 ppm1      1.900 ppm2      8.085 CV     1
 ASSI { 1035}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.14426E-02 ppm1      1.603 ppm2      8.998 CV     1
 ASSI { 1036}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.62975E-03 ppm1      1.897 ppm2      7.443 CV     1
 ASSI { 1037}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.500     2.600     1.500 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.95113E-03 ppm1      1.620 ppm2      7.443 CV     1
 ASSI { 1039}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.100     1.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.94459E-03 ppm1      1.901 ppm2      4.310 CV     1
 ASSI { 1041}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.70519E-03 ppm1      1.620 ppm2      4.325 CV     1
 ASSI { 1042}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.100     1.100 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.13422E-02 ppm1      1.895 ppm2      3.021 CV     1
 ASSI { 1044}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.100     1.100 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.19925E-02 ppm1      2.047 ppm2      3.214 CV     1
 OR { 1044}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1044}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1044}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1046}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.900     1.000     1.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.38993E-02 ppm1      1.898 ppm2      1.371 CV     1
 ASSI { 1047}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.300     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.44365E-02 ppm1      1.617 ppm2      1.371 CV     1
 ASSI { 1052}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      4.100     2.100     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.56359E-03 ppm1      2.767 ppm2      1.081 CV     1
 ASSI { 1053}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      4.100     2.100     1.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.50629E-03 ppm1      2.852 ppm2      1.073 CV     1
 ASSI { 1054}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      4.500     2.600     1.500 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.34590E-03 ppm1      2.852 ppm2      0.959 CV     1
 ASSI { 1055}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      4.900     3.000     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.27169E-03 ppm1      2.759 ppm2      0.966 CV     1
 ASSI { 1056}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.400     2.400     1.600 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.15394E-02 ppm1      2.544 ppm2      1.027 CV     1
 ASSI { 1059}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.400     0.700     0.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.67921E-02 ppm1      2.277 ppm2      1.114 CV     1
 ASSI { 1061}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      1.700     0.400     0.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.14367E-01 ppm1      2.082 ppm2      1.861 CV     1
 ASSI { 1063}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.700     0.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.82882E-02 ppm1      1.861 ppm2      1.752 CV     1
 OR { 1063}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1064}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.700     0.900     0.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.16088E-02 ppm1      2.058 ppm2      1.028 CV     1
 ASSI { 1066}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.11100E-02 ppm1      2.016 ppm2      1.127 CV     1
 ASSI { 1069}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      2.252 ppm2      1.312 CV     1
 ASSI { 1070}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB1 ))
      5.100     3.300     0.900 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.32246E-03 ppm1      2.841 ppm2      1.648 CV     1
 ASSI { 1071}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB1 ))
      5.700     4.100     0.300 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.27393E-03 ppm1      2.764 ppm2      1.647 CV     1
 ASSI { 1076}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
      3.400     1.400     1.400 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.42799E-03 ppm1      2.768 ppm2      1.378 CV     1
 ASSI { 1077}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      1.600     0.300     0.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.16953E-01 ppm1      2.544 ppm2      2.070 CV     1
 ASSI { 1081}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.900     0.400     0.400 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.59259E-02 ppm1      2.252 ppm2      2.014 CV     1
 ASSI { 1083}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.100     1.200     1.200 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.16034E-02 ppm1      1.862 ppm2      3.270 CV     1
 OR { 1083}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1085}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 73   and name HG2 ))
      4.700     2.700     1.300 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.16733E-03 ppm1      2.074 ppm2      2.535 CV     1
 ASSI { 1088}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.35410E-02 ppm1      2.017 ppm2      3.311 CV     1
 ASSI { 1089}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.100     1.200     1.200 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.15391E-02 ppm1      2.081 ppm2      3.273 CV     1
 OR { 1089}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1090}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.900     1.900 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.23144E-02 ppm1      2.254 ppm2      3.308 CV     1
 ASSI { 1093}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.800     1.000     1.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.53710E-02 ppm1      2.304 ppm2      2.762 CV     1
 ASSI { 1094}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.64970E-02 ppm1      2.850 ppm2      2.324 CV     1
 OR { 1094}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1095}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.400     0.700     0.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.63148E-02 ppm1      2.762 ppm2      2.324 CV     1
 OR { 1095}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1096}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 64   and name HB  ))
      4.000     2.000     2.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      2.760 ppm2      2.197 CV     1
 ASSI { 1098}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.12025E-02 ppm1      2.546 ppm2      3.579 CV     1
 ASSI { 1099}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.400     1.400     1.400 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.11600E-02 ppm1      2.213 ppm2      3.576 CV     1
 ASSI { 1101}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.200     1.300     1.300 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.11462E-02 ppm1      2.059 ppm2      3.581 CV     1
 ASSI { 1102}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.100     2.100     1.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.11720E-02 ppm1      2.060 ppm2      4.014 CV     1
 ASSI { 1104}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.41580E-03 ppm1      2.080 ppm2      3.826 CV     1
 ASSI { 1107}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.21421E-02 ppm1      1.864 ppm2      4.626 CV     1
 ASSI { 1110}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.32464E-02 ppm1      2.278 ppm2      4.035 CV     1
 ASSI { 1112}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.35866E-02 ppm1      2.212 ppm2      3.824 CV     1
 ASSI { 1116}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.300     2.300     1.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      2.546 ppm2      4.010 CV     1
 ASSI { 1119}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.500     2.500     1.500 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.24603E-03 ppm1      2.764 ppm2      4.141 CV     1
 ASSI { 1120}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.300     2.300     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.25033E-03 ppm1      2.853 ppm2      4.120 CV     1
 ASSI { 1123}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      2.255 ppm2      7.315 CV     1
 OR { 1123}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1124}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      2.900     1.000     1.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.12640E-02 ppm1      2.254 ppm2      7.214 CV     1
 ASSI { 1125}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
      4.500     2.600     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.39089E-03 ppm1      2.255 ppm2      6.903 CV     1
 OR { 1125}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1126}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.59156E-02 ppm1      2.211 ppm2      7.405 CV     1
 ASSI { 1127}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.67650E-03 ppm1      2.018 ppm2      7.313 CV     1
 ASSI { 1128}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.82954E-03 ppm1      2.012 ppm2      7.212 CV     1
 ASSI { 1133}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.54710E-02 ppm1      2.277 ppm2      8.455 CV     1
 ASSI { 1134}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.600     2.700     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.46702E-03 ppm1      2.850 ppm2      8.509 CV     1
 ASSI { 1135}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      5.100     3.200     0.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.44154E-03 ppm1      2.759 ppm2      8.508 CV     1
 ASSI { 1136}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.24080E-02 ppm1      2.851 ppm2      8.235 CV     1
 ASSI { 1138}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.77124E-03 ppm1      2.548 ppm2      8.626 CV     1
 ASSI { 1139}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.85884E-03 ppm1      2.541 ppm2      7.409 CV     1
 ASSI { 1140}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.400     1.400     1.400 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.14919E-02 ppm1      2.546 ppm2      8.823 CV     1
 ASSI { 1141}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.56232E-03 ppm1      2.254 ppm2      8.999 CV     1
 ASSI { 1144}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.300     1.300 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.84102E-03 ppm1      2.065 ppm2      8.624 CV     1
 ASSI { 1145}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 63   and name HN  ))
      5.100     3.200     0.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.31118E-03 ppm1      2.206 ppm2      8.622 CV     1
 ASSI { 1146}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.20619E-02 ppm1      2.409 ppm2      9.096 CV     1
 ASSI { 1147}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.300     1.300     1.300 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.72928E-03 ppm1      2.403 ppm2      6.924 CV     1
 ASSI { 1148}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.600     1.600 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.52122E-03 ppm1      2.408 ppm2      7.717 CV     1
 ASSI { 1153}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.200     0.600     0.600 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.63051E-02 ppm1      2.408 ppm2      1.215 CV     1
 ASSI { 1154}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
      2.200     0.600     0.600 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.69641E-02 ppm1      2.410 ppm2      1.137 CV     1
 ASSI { 1157}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      5.000     3.100     1.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.36724E-03 ppm1      2.409 ppm2      0.228 CV     1
 ASSI { 1159}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
      4.800     2.900     1.200 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.60846E-03 ppm1      2.320 ppm2      0.924 CV     1
 ASSI { 1160}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.700     1.700     1.700 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.43620E-03 ppm1      2.308 ppm2      0.825 CV     1
 ASSI { 1161}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.500     1.500     1.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.78283E-03 ppm1      2.765 ppm2      0.829 CV     1
 ASSI { 1163}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.38332E-02 ppm1      2.616 ppm2      2.349 CV     1
 ASSI { 1166}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      1.800     0.400     0.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.74245E-02 ppm1      2.318 ppm2      2.764 CV     1
 ASSI { 1167}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.300     0.700     0.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.50074E-02 ppm1      2.317 ppm2      2.512 CV     1
 ASSI { 1170}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.900     1.000     1.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.49935E-02 ppm1      2.765 ppm2      2.513 CV     1
 ASSI { 1171}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.200     0.600     0.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.12594E-01 ppm1      2.503 ppm2      2.259 CV     1
 OR { 1171}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1172}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HG2 ))
      1.700     0.400     0.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.19787E-01 ppm1      2.617 ppm2      2.466 CV     1
 ASSI { 1174}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.15220E-02 ppm1      2.766 ppm2      4.094 CV     1
 ASSI { 1175}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.85715E-03 ppm1      2.317 ppm2      4.264 CV     1
 ASSI { 1176}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.21255E-02 ppm1      2.319 ppm2      4.095 CV     1
 ASSI { 1178}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.12915E-02 ppm1      2.616 ppm2      4.238 CV     1
 ASSI { 1179}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.500     1.500     1.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.18768E-02 ppm1      2.470 ppm2      4.236 CV     1
 ASSI { 1181}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.100     2.100     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.36350E-03 ppm1      2.312 ppm2      4.841 CV     1
 ASSI { 1182}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.40608E-02 ppm1      2.139 ppm2      8.487 CV     1
 ASSI { 1183}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      2.140 ppm2      7.527 CV     1
 ASSI { 1184}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      4.400     2.400     1.600 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.49728E-03 ppm1      2.771 ppm2      8.029 CV     1
 ASSI { 1185}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.14062E-02 ppm1      2.616 ppm2      8.512 CV     1
 ASSI { 1187}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.400     1.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.11462E-02 ppm1      2.470 ppm2      8.514 CV     1
 ASSI { 1188}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.600     2.700     1.400 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.54072E-03 ppm1      2.320 ppm2      8.042 CV     1
 ASSI { 1189}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.26037E-02 ppm1      2.505 ppm2      9.556 CV     1
 OR { 1189}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1190}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1      2.323 ppm2      8.975 CV     1
 ASSI { 1191}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.11930E-02 ppm1      2.505 ppm2      7.563 CV     1
 OR { 1191}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1192}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.12430E-02 ppm1      2.410 ppm2      8.482 CV     1
 OR { 1192}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1194}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      4.800     2.800     1.200 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.36376E-03 ppm1      2.467 ppm2      8.327 CV     1
 ASSI { 1196}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      3.400     1.500     1.500 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.12309E-02 ppm1      2.542 ppm2      4.396 CV     1
 ASSI { 1197}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
      5.100     3.300     0.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.16414E-03 ppm1      2.501 ppm2      4.807 CV     1
 OR { 1197}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1198}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      5.100     3.200     0.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.43284E-03 ppm1      2.143 ppm2      4.094 CV     1
 ASSI { 1199}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.300     0.700     0.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.11121E-01 ppm1      2.409 ppm2      2.233 CV     1
 OR { 1199}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1201}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.85894E-02 ppm1      2.536 ppm2      2.277 CV     1
 ASSI { 1202}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.59310E-02 ppm1      2.468 ppm2      2.279 CV     1
 ASSI { 1203}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.500     0.800     0.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.36953E-02 ppm1      2.469 ppm2      2.335 CV     1
 ASSI { 1207}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
      1.600     0.300     0.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.20089E-01 ppm1      2.623 ppm2      2.394 CV     1
 ASSI { 1208}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HG2 ))
      1.800     0.400     0.400 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.12968E-01 ppm1      2.645 ppm2      2.502 CV     1
 ASSI { 1212}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     0.900     0.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.46830E-02 ppm1      2.645 ppm2      2.278 CV     1
 ASSI { 1213}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.800     0.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.36913E-02 ppm1      2.508 ppm2      2.276 CV     1
 ASSI { 1214}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     0.900     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.42943E-02 ppm1      2.394 ppm2      2.266 CV     1
 ASSI { 1223}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.900     1.900     1.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.40588E-03 ppm1      2.503 ppm2      1.141 CV     1
 ASSI { 1227}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.22526E-02 ppm1      2.623 ppm2      4.209 CV     1
 ASSI { 1229}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.20079E-02 ppm1      2.647 ppm2      4.242 CV     1
 ASSI { 1230}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.19314E-02 ppm1      2.500 ppm2      4.243 CV     1
 ASSI { 1233}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.58401E-03 ppm1      2.623 ppm2      4.404 CV     1
 ASSI { 1237}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     2.500     1.500 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.34613E-03 ppm1      2.401 ppm2      4.407 CV     1
 ASSI { 1243}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.800     1.300 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.25527E-03 ppm1      2.653 ppm2      7.725 CV     1
 ASSI { 1244}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.900     3.000     1.100 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.40706E-03 ppm1      2.647 ppm2      7.483 CV     1
 ASSI { 1245}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.64031E-03 ppm1      2.515 ppm2      7.472 CV     1
 ASSI { 1253}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      5.700     4.100     0.300 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.20718E-03 ppm1      2.649 ppm2      9.101 CV     1
 ASSI { 1257}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      5.000     3.100     1.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.43413E-03 ppm1      3.096 ppm2      0.362 CV     1
 ASSI { 1260}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
      5.800     4.200     0.200 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.28729E-03 ppm1      3.092 ppm2      0.882 CV     1
 ASSI { 1269}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.34771E-02 ppm1      1.942 ppm2      1.731 CV     1
 ASSI { 1270}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      3.592 ppm2      2.783 CV     1
 ASSI { 1275}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      1.900     0.400     0.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.84015E-02 ppm1      2.772 ppm2      3.094 CV     1
 ASSI { 1278}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.700     0.300     0.500 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.12320E-01 ppm1      3.590 ppm2      3.089 CV     1
 ASSI { 1281}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.200     1.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.10126E-02 ppm1      3.092 ppm2      4.488 CV     1
 ASSI { 1282}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.12890E-02 ppm1      3.092 ppm2      4.909 CV     1
 ASSI { 1283}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.19866E-02 ppm1      2.771 ppm2      4.912 CV     1
 ASSI { 1284}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.14034E-02 ppm1      1.942 ppm2      3.893 CV     1
 ASSI { 1286}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.500     0.800     0.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.36781E-02 ppm1      3.591 ppm2      7.117 CV     1
 ASSI { 1287}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      4.700     2.700     1.300 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.52301E-03 ppm1      3.595 ppm2      6.993 CV     1
 ASSI { 1288}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.23640E-02 ppm1      3.094 ppm2      7.117 CV     1
 ASSI { 1289}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      5.600     3.900     0.400 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.63301E-03 ppm1      3.089 ppm2      6.989 CV     1
 ASSI { 1291}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.600     1.600     1.600 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.18149E-02 ppm1      2.772 ppm2      7.672 CV     1
 ASSI { 1293}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      3.300     1.400     1.400 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.10111E-02 ppm1      2.771 ppm2      7.329 CV     1
 ASSI { 1294}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.46722E-02 ppm1      1.942 ppm2      8.276 CV     1
 ASSI { 1296}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1      3.090 ppm2      8.471 CV     1
 ASSI { 1301}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.700     1.700     1.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.16637E-02 ppm1      3.590 ppm2      8.474 CV     1
 ASSI { 1302}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.37526E-03 ppm1      3.591 ppm2      8.066 CV     1
 ASSI { 1303}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.12031E-02 ppm1      3.591 ppm2      9.555 CV     1
 ASSI { 1304}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.15177E-02 ppm1      3.091 ppm2      9.557 CV     1
 ASSI { 1306}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      3.400     1.400     1.400 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.91734E-03 ppm1      2.458 ppm2      0.691 CV     1
 ASSI { 1307}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      3.400     1.500     1.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.77084E-03 ppm1      2.465 ppm2      1.276 CV     1
 ASSI { 1310}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.44076E-03 ppm1      3.462 ppm2      0.637 CV     1
 OR { 1310}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1313}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG11))
      2.400     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.29041E-02 ppm1      2.461 ppm2      1.829 CV     1
 ASSI { 1314}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.600     0.300     0.600 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.16005E-01 ppm1      3.460 ppm2      2.789 CV     1
 ASSI { 1315}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.800     0.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.62592E-02 ppm1      2.829 ppm2      4.522 CV     1
 ASSI { 1322}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.39806E-02 ppm1      3.460 ppm2      4.685 CV     1
 ASSI { 1324}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.52582E-03 ppm1      2.793 ppm2      4.668 CV     1
 ASSI { 1326}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.300     0.700     0.700 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.51806E-02 ppm1      3.459 ppm2      7.445 CV     1
 ASSI { 1330}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.42475E-03 ppm1      2.460 ppm2      6.980 CV     1
 ASSI { 1331}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HE% )
      4.400     2.400     1.600 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.28293E-03 ppm1      2.452 ppm2      6.757 CV     1
 ASSI { 1332}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.41689E-02 ppm1      2.790 ppm2      7.443 CV     1
 ASSI { 1334}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.700     1.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.20345E-02 ppm1      3.462 ppm2      8.129 CV     1
 ASSI { 1336}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.21248E-02 ppm1      2.829 ppm2      8.623 CV     1
 ASSI { 1337}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.200     1.200 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.18273E-02 ppm1      2.748 ppm2      8.622 CV     1
 ASSI { 1340}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.29454E-02 ppm1      1.789 ppm2      8.141 CV     1
 ASSI { 1341}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.23319E-02 ppm1      2.837 ppm2      8.822 CV     1
 ASSI { 1342}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.100     1.200     1.200 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.17778E-02 ppm1      2.749 ppm2      8.820 CV     1
 ASSI { 1352}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      2.720 ppm2      8.697 CV     1
 ASSI { 1353}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      5.100     3.300     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.26435E-03 ppm1      2.837 ppm2      8.137 CV     1
 OR { 1353}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1354}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.15732E-02 ppm1      2.782 ppm2      8.069 CV     1
 ASSI { 1355}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.600     0.800     0.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.39800E-02 ppm1      3.297 ppm2      7.309 CV     1
 ASSI { 1357}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.40468E-02 ppm1      3.017 ppm2      7.310 CV     1
 ASSI { 1359}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.900     1.100     1.100 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.16055E-02 ppm1      3.013 ppm2      7.116 CV     1
 ASSI { 1362}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.700     2.700     1.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.49659E-03 ppm1      2.779 ppm2      6.754 CV     1
 ASSI { 1363}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.200     1.300     1.300 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.14597E-02 ppm1      2.782 ppm2      7.113 CV     1
 ASSI { 1364}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      2.600     0.800     0.800 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.31510E-02 ppm1      2.785 ppm2      6.974 CV     1
 ASSI { 1365}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      5.100     3.200     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.42868E-03 ppm1      1.789 ppm2      4.836 CV     1
 ASSI { 1366}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.100     1.100 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.20345E-02 ppm1      1.790 ppm2      4.664 CV     1
 ASSI { 1367}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.100     2.100     1.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.10760E-02 ppm1      1.785 ppm2      4.011 CV     1
 ASSI { 1368}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.10795E-02 ppm1      1.790 ppm2      3.577 CV     1
 ASSI { 1370}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      3.013 ppm2      3.587 CV     1
 ASSI { 1374}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.700     4.000     0.300 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.31709E-03 ppm1      3.016 ppm2      4.854 CV     1
 ASSI { 1377}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.45785E-02 ppm1      2.842 ppm2      4.730 CV     1
 OR { 1377}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1378}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.30908E-02 ppm1      2.892 ppm2      4.848 CV     1
 ASSI { 1379}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.32371E-02 ppm1      2.671 ppm2      4.848 CV     1
 ASSI { 1380}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.26059E-02 ppm1      2.831 ppm2      4.460 CV     1
 ASSI { 1381}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.25864E-02 ppm1      2.783 ppm2      4.586 CV     1
 ASSI { 1383}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.200     1.200 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.26118E-02 ppm1      2.751 ppm2      4.450 CV     1
 ASSI { 1384}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.600     0.300     0.600 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.11777E-01 ppm1      3.015 ppm2      2.783 CV     1
 ASSI { 1386}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
      1.800     0.400     0.400 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.16264E-01 ppm1      2.839 ppm2      2.733 CV     1
 ASSI { 1389}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      1.700     0.300     0.500 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.26325E-01 ppm1      2.755 ppm2      2.862 CV     1
 ASSI { 1391}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
      4.600     2.700     1.400 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.62918E-03 ppm1      3.011 ppm2      1.821 CV     1
 ASSI { 1392}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      4.600     2.600     1.400 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.64424E-03 ppm1      3.292 ppm2      1.775 CV     1
 OR { 1392}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1398}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      4.700     2.700     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.51898E-03 ppm1      2.779 ppm2      1.357 CV     1
 ASSI { 1399}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      3.500     1.600     1.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.39762E-03 ppm1      3.024 ppm2      1.360 CV     1
 ASSI { 1405}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      3.000     1.100     1.100 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.15899E-02 ppm1      3.016 ppm2      0.693 CV     1
 ASSI { 1407}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.100     1.200     1.200 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.22194E-02 ppm1      1.789 ppm2      1.121 CV     1
 ASSI { 1409}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     0.900     0.900 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.33530E-02 ppm1      1.788 ppm2      0.845 CV     1
 ASSI { 1410}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.400     0.700     0.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.42529E-02 ppm1      1.788 ppm2      1.488 CV     1
 ASSI { 1413}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.600     2.700     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.47248E-03 ppm1      2.781 ppm2      0.357 CV     1
 ASSI { 1414}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.600     1.400 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.59110E-03 ppm1      2.790 ppm2      0.234 CV     1
 ASSI { 1421}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.700     0.700 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.52715E-02 ppm1      3.303 ppm2      8.923 CV     1
 ASSI { 1423}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.100     1.100 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      2.860 ppm2      8.924 CV     1
 ASSI { 1425}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.23079E-02 ppm1      2.336 ppm2      8.839 CV     1
 ASSI { 1426}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.35654E-02 ppm1      1.986 ppm2      8.409 CV     1
 ASSI { 1428}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.32623E-02 ppm1      1.513 ppm2      8.467 CV     1
 ASSI { 1429}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.18805E-02 ppm1      1.447 ppm2      8.409 CV     1
 ASSI { 1431}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.19083E-02 ppm1      1.031 ppm2      7.510 CV     1
 ASSI { 1432}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.14409E-02 ppm1      1.569 ppm2      8.839 CV     1
 ASSI { 1433}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      1.571 ppm2      8.071 CV     1
 ASSI { 1435}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     0.900     0.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.12707E-02 ppm1      1.514 ppm2      8.233 CV     1
 ASSI { 1436}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      1.847 ppm2      8.160 CV     1
 ASSI { 1437}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.46080E-02 ppm1      1.841 ppm2      7.781 CV     1
 ASSI { 1446}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.70994E-02 ppm1      2.714 ppm2      8.250 CV     1
 OR { 1446}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1448}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.20255E-02 ppm1      2.859 ppm2      7.974 CV     1
 ASSI { 1449}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.55701E-03 ppm1      2.855 ppm2      7.783 CV     1
 ASSI { 1456}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      5.200     3.400     0.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.24033E-03 ppm1      3.303 ppm2      8.164 CV     1
 ASSI { 1457}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.14427E-02 ppm1      3.302 ppm2      7.972 CV     1
 ASSI { 1458}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.56819E-03 ppm1      3.305 ppm2      7.780 CV     1
 ASSI { 1460}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.900     0.900 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.43491E-02 ppm1      2.360 ppm2      8.054 CV     1
 ASSI { 1461}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.100     1.200     1.200 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.96654E-03 ppm1      2.337 ppm2      7.340 CV     1
 ASSI { 1463}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.24403E-02 ppm1      1.702 ppm2      7.712 CV     1
 ASSI { 1464}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.42877E-02 ppm1      1.633 ppm2      7.510 CV     1
 ASSI { 1465}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.600     2.700     1.400 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.43565E-03 ppm1      1.450 ppm2      6.760 CV     1
 ASSI { 1467}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.19544E-02 ppm1      3.094 ppm2      4.812 CV     1
 ASSI { 1468}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.23598E-02 ppm1      2.996 ppm2      4.813 CV     1
 ASSI { 1469}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      3.036 ppm2      5.049 CV     1
 ASSI { 1472}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.26369E-02 ppm1      2.880 ppm2      4.713 CV     1
 ASSI { 1476}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.66308E-02 ppm1      2.714 ppm2      4.625 CV     1
 OR { 1476}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1477}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.23163E-02 ppm1      2.338 ppm2      4.214 CV     1
 ASSI { 1478}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.200     1.200 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.24896E-02 ppm1      2.361 ppm2      5.048 CV     1
 ASSI { 1482}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      1.847 ppm2      4.279 CV     1
 ASSI { 1483}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.600     1.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.84648E-03 ppm1      1.989 ppm2      3.524 CV     1
 ASSI { 1491}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.67130E-03 ppm1      1.642 ppm2      3.321 CV     1
 ASSI { 1493}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      1.700     0.400     0.500 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.15033E-01 ppm1      2.703 ppm2      3.040 CV     1
 ASSI { 1494}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      1.700     0.400     0.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.15711E-01 ppm1      2.861 ppm2      3.301 CV     1
 ASSI { 1496}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HB2 ))
      1.800     0.400     0.400 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.19502E-01 ppm1      3.035 ppm2      2.360 CV     1
 ASSI { 1499}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.900     0.400     0.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.76252E-02 ppm1      1.449 ppm2      1.984 CV     1
 ASSI { 1500}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.17796E-02 ppm1      1.440 ppm2      1.886 CV     1
 ASSI { 1501}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      2.900     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.18739E-02 ppm1      3.042 ppm2      0.639 CV     1
 ASSI { 1502}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.100     1.200     1.200 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.22797E-02 ppm1      2.703 ppm2      0.636 CV     1
 OR { 1502}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1506}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.600     0.800     0.800 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.25525E-02 ppm1      2.337 ppm2      1.895 CV     1
 ASSI { 1507}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.700     0.300     0.500 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.12050E-01 ppm1      2.338 ppm2      1.572 CV     1
 ASSI { 1514}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
      2.700     0.900     0.900 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.22254E-02 ppm1      1.989 ppm2      1.887 CV     1
 ASSI { 1515}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG  ))
      2.300     0.700     0.700 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.64506E-02 ppm1      1.840 ppm2      1.748 CV     1
 ASSI { 1517}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.700     1.700 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.17561E-02 ppm1      1.514 ppm2      0.358 CV     1
 ASSI { 1520}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.200     1.200     1.200 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.18533E-02 ppm1      1.632 ppm2      0.459 CV     1
 ASSI { 1525}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.800     0.400     0.400 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.12350E-01 ppm1      1.454 ppm2      1.236 CV     1
 ASSI { 1526}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.700     0.900     0.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.38855E-02 ppm1      1.633 ppm2      0.781 CV     1
 ASSI { 1527}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.700     0.400     0.500 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.11120E-01 ppm1      1.632 ppm2      1.028 CV     1
 ASSI { 1528}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      3.000     1.100     1.100 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.27218E-02 ppm1      1.839 ppm2      1.041 CV     1
 OR { 1528}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 1529}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
      2.900     1.000     1.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.26712E-02 ppm1      1.875 ppm2      1.030 CV     1
 OR { 1529}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1535}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.15483E-02 ppm1      2.337 ppm2      0.797 CV     1
 ASSI { 1536}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      4.400     2.400     1.600 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.61903E-03 ppm1      2.334 ppm2      0.617 CV     1
 ASSI { 1539}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.500     1.500 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.52898E-03 ppm1      2.997 ppm2      1.852 CV     1
 ASSI { 1543}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.31821E-02 ppm1      1.363 ppm2      9.432 CV     1
 ASSI { 1545}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      1.700 ppm2      8.728 CV     1
 ASSI { 1546}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.80391E-03 ppm1      1.774 ppm2      8.465 CV     1
 ASSI { 1547}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.21012E-02 ppm1      1.914 ppm2      8.276 CV     1
 ASSI { 1550}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.32749E-02 ppm1      2.217 ppm2      8.413 CV     1
 ASSI { 1553}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.900     0.900 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.33045E-02 ppm1      3.496 ppm2      9.074 CV     1
 ASSI { 1554}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.27919E-02 ppm1      3.026 ppm2      9.073 CV     1
 ASSI { 1555}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.35283E-03 ppm1      1.372 ppm2      9.044 CV     1
 ASSI { 1556}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.10440E-02 ppm1      1.584 ppm2      9.036 CV     1
 ASSI { 1558}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      1.451 ppm2      8.413 CV     1
 ASSI { 1560}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.20445E-02 ppm1      1.559 ppm2      8.279 CV     1
 ASSI { 1563}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.900     0.900 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.25694E-02 ppm1      1.484 ppm2      8.154 CV     1
 ASSI { 1564}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      4.400     2.400     1.600 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.62918E-03 ppm1      1.367 ppm2      7.332 CV     1
 ASSI { 1567}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.27651E-02 ppm1      1.778 ppm2      7.211 CV     1
 ASSI { 1569}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.33540E-02 ppm1      1.913 ppm2      8.014 CV     1
 ASSI { 1570}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.23639E-02 ppm1      2.425 ppm2      7.711 CV     1
 ASSI { 1571}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
      2.600     0.900     0.900 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.39701E-02 ppm1      3.497 ppm2      6.898 CV     1
 OR { 1571}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1571}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1572}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.900     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.22182E-02 ppm1      3.022 ppm2      6.898 CV     1
 OR { 1572}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1572}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1573}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.900     1.900     1.900 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.87032E-03 ppm1      2.432 ppm2      6.898 CV     1
 ASSI { 1574}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      2.900     1.100     1.100 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      1.701 ppm2      6.904 CV     1
 OR { 1574}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1575}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.24213E-02 ppm1      2.014 ppm2      4.911 CV     1
 ASSI { 1576}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     2.900     3.100 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      1.559 ppm2      4.910 CV     1
 ASSI { 1581}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.24133E-02 ppm1      2.217 ppm2      4.309 CV     1
 ASSI { 1582}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.100     2.100     1.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.14953E-02 ppm1      2.218 ppm2      3.953 CV     1
 ASSI { 1584}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.200     1.200 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.18591E-02 ppm1      2.426 ppm2      4.306 CV     1
 ASSI { 1585}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.13529E-02 ppm1      1.774 ppm2      4.317 CV     1
 ASSI { 1587}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.28152E-02 ppm1      1.587 ppm2      4.526 CV     1
 ASSI { 1592}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.29699E-02 ppm1      1.551 ppm2      3.892 CV     1
 ASSI { 1593}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.600     1.700     1.700 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.88053E-03 ppm1      1.586 ppm2      3.038 CV     1
 ASSI { 1597}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.12664E-02 ppm1      3.497 ppm2      1.867 CV     1
 ASSI { 1598}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.34832E-02 ppm1      3.498 ppm2      1.647 CV     1
 ASSI { 1599}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.900     1.100     1.100 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.20682E-02 ppm1      3.497 ppm2      1.516 CV     1
 ASSI { 1600}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.15558E-02 ppm1      3.025 ppm2      1.866 CV     1
 ASSI { 1601}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.800     1.000     1.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.39853E-02 ppm1      3.021 ppm2      1.643 CV     1
 ASSI { 1603}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
      2.600     0.800     0.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.32207E-02 ppm1      2.426 ppm2      1.063 CV     1
 OR { 1603}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1604}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      2.700     0.900     0.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.37075E-02 ppm1      2.426 ppm2      0.983 CV     1
 ASSI { 1605}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.600     0.300     0.600 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.13848E-01 ppm1      2.426 ppm2      1.702 CV     1
 ASSI { 1606}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HB2 ))
      1.700     0.300     0.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.12336E-01 ppm1      2.217 ppm2      1.451 CV     1
 ASSI { 1608}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.800     0.400     0.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.69136E-02 ppm1      2.195 ppm2      1.551 CV     1
 ASSI { 1613}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      4.200     2.200     1.800 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.13256E-02 ppm1      2.192 ppm2      1.136 CV     1
 ASSI { 1616}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HB2 ))
      1.700     0.300     0.500 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.13468E-01 ppm1      2.014 ppm2      1.560 CV     1
 ASSI { 1617}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     0.400     0.500 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.11930E-01 ppm1      1.778 ppm2      1.412 CV     1
 ASSI { 1619}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.34300E-02 ppm1      1.585 ppm2      0.621 CV     1
 OR { 1619}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1621}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.800     0.400     0.400 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.96420E-02 ppm1      1.410 ppm2      1.775 CV     1
 OR { 1621}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1623}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG  ))
      2.400     0.700     0.700 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.36187E-02 ppm1      1.558 ppm2      1.842 CV     1
 ASSI { 1624}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.700     0.400     0.500 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.12767E-01 ppm1      1.585 ppm2      1.362 CV     1
 ASSI { 1625}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      1.600     0.300     0.600 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.19371E-01 ppm1      1.608 ppm2      1.479 CV     1
 ASSI { 1626}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.000     1.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.32715E-02 ppm1      1.545 ppm2      1.686 CV     1
 ASSI { 1628}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.400     1.400 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.13385E-02 ppm1      3.099 ppm2      1.899 CV     1
 ASSI { 1630}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      3.098 ppm2      1.617 CV     1
 ASSI { 1631}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.14400E-02 ppm1      3.019 ppm2      1.619 CV     1
 ASSI { 1632}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.900     1.100     1.100 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.22659E-02 ppm1      3.019 ppm2      1.369 CV     1
 ASSI { 1634}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.31321E-02 ppm1      3.099 ppm2      0.994 CV     1
 ASSI { 1635}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.800     1.000     1.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.27430E-02 ppm1      3.020 ppm2      0.994 CV     1
 ASSI { 1637}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1      3.198 ppm2      1.405 CV     1
 ASSI { 1638}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.28905E-02 ppm1      3.193 ppm2      1.167 CV     1
 ASSI { 1641}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.300     1.300     1.300 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.17147E-02 ppm1      3.308 ppm2      2.197 CV     1
 ASSI { 1643}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.14749E-02 ppm1      3.347 ppm2      2.175 CV     1
 ASSI { 1645}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.25310E-02 ppm1      3.192 ppm2      2.052 CV     1
 OR { 1645}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1646}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.800     1.000     1.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      3.373 ppm2      2.029 CV     1
 OR { 1646}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1650}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.29575E-02 ppm1      3.448 ppm2      1.742 CV     1
 ASSI { 1652}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.600     0.800     0.800 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.35798E-02 ppm1      3.372 ppm2      1.691 CV     1
 ASSI { 1653}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.500     0.800     0.800 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.32243E-02 ppm1      3.450 ppm2      1.632 CV     1
 ASSI { 1656}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      5.000     3.100     1.000 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.47711E-03 ppm1      3.273 ppm2      4.627 CV     1
 OR { 1656}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1658}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.62234E-03 ppm1      3.241 ppm2      4.624 CV     1
 ASSI { 1659}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.900     1.900     1.900 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.39939E-03 ppm1      3.374 ppm2      4.553 CV     1
 ASSI { 1660}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.35438E-03 ppm1      3.315 ppm2      4.551 CV     1
 ASSI { 1667}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.000     1.100 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.43748E-03 ppm1      3.374 ppm2      4.040 CV     1
 ASSI { 1668}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.000     1.100 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.38809E-03 ppm1      3.313 ppm2      4.042 CV     1
 ASSI { 1673}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.900     3.000     1.100 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.58564E-03 ppm1      2.887 ppm2      4.444 CV     1
 ASSI { 1674}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 52   and name HA  ))
      4.800     2.800     1.200 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.29147E-03 ppm1      3.101 ppm2      4.309 CV     1
 ASSI { 1675}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.800     2.900     1.200 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.65287E-03 ppm1      3.099 ppm2      4.094 CV     1
 ASSI { 1677}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.100     1.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.46465E-03 ppm1      3.234 ppm2      3.532 CV     1
 ASSI { 1680}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      3.300     1.400     1.400 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.81877E-03 ppm1      3.018 ppm2      6.818 CV     1
 ASSI { 1683}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.96884E-03 ppm1      2.884 ppm2      7.475 CV     1
 ASSI { 1684}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HD% )
      4.800     2.900     1.200 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.24140E-03 ppm1      3.105 ppm2      7.449 CV     1
 ASSI { 1685}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HD% )
      4.600     2.600     1.400 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.29311E-03 ppm1      3.023 ppm2      7.443 CV     1
 ASSI { 1687}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HE  ))
      3.800     1.800     1.800 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.38633E-03 ppm1      3.019 ppm2      7.182 CV     1
 ASSI { 1688}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
      3.000     1.100     1.100 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.17353E-02 ppm1      3.276 ppm2      7.398 CV     1
 OR { 1688}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 1689}
   (( segid "    " and resid 34   and name HD1 ))
   (  segid "    " and resid 35   and name HE% )
      4.000     2.000     2.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.85623E-03 ppm1      3.450 ppm2      6.924 CV     1
 ASSI { 1690}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.200     1.300     1.300 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.12928E-02 ppm1      3.448 ppm2      7.557 CV     1
 ASSI { 1691}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      3.100     1.200     1.200 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.15433E-02 ppm1      3.305 ppm2      7.548 CV     1
 ASSI { 1693}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      2.900     1.100     1.100 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.19242E-02 ppm1      3.452 ppm2      8.002 CV     1
 ASSI { 1695}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.800     2.900     1.200 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.34102E-03 ppm1      3.301 ppm2      8.114 CV     1
 ASSI { 1696}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HN  ))
      5.600     4.000     0.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.28927E-03 ppm1      3.101 ppm2      8.089 CV     1
 ASSI { 1703}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.300     1.400     1.400 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.30471E-02 ppm1      3.015 ppm2      9.096 CV     1
 ASSI { 1704}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.28924E-02 ppm1      2.886 ppm2      9.097 CV     1
 ASSI { 1705}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     0.900     0.900 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.28005E-02 ppm1      4.260 ppm2      8.669 CV     1
 ASSI { 1706}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.30594E-02 ppm1      4.261 ppm2      8.563 CV     1
 ASSI { 1709}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.42300E-02 ppm1      3.876 ppm2      8.561 CV     1
 ASSI { 1710}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.33346E-02 ppm1      4.118 ppm2      8.029 CV     1
 ASSI { 1711}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.53031E-02 ppm1      3.887 ppm2      8.030 CV     1
 ASSI { 1714}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.53756E-02 ppm1      4.078 ppm2      8.135 CV     1
 OR { 1714}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1715}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      1.700     0.300     0.500 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.21123E-01 ppm1      3.885 ppm2      4.117 CV     1
 ASSI { 1716}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      1.700     0.400     0.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.17958E-01 ppm1      3.874 ppm2      4.261 CV     1
 ASSI { 1722}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.13692E-02 ppm1      4.078 ppm2      1.552 CV     1
 OR { 1722}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1723}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 65   and name HB% )
      4.200     2.200     1.800 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.41546E-03 ppm1      3.882 ppm2      1.394 CV     1
 ASSI { 1725}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 46   and name HG1 ))
      3.800     1.800     1.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.42635E-03 ppm1      3.887 ppm2      2.838 CV     1
 ASSI { 1726}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 46   and name HG2 ))
      4.600     2.600     1.400 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.26610E-03 ppm1      3.889 ppm2      2.759 CV     1
 ASSI { 1728}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.72311E-02 ppm1      3.883 ppm2      7.719 CV     1
 ASSI { 1729}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.32642E-02 ppm1      4.026 ppm2      7.589 CV     1
 OR { 1729}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1730}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.51122E-02 ppm1      4.265 ppm2      7.721 CV     1
 ASSI { 1731}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.800     1.800 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.11442E-02 ppm1      4.267 ppm2      8.064 CV     1
 ASSI { 1732}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
      3.600     1.600     1.600 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.80269E-03 ppm1      4.027 ppm2      7.956 CV     1
 OR { 1732}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1733}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.200     0.600     0.600 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.10878E-01 ppm1      4.026 ppm2      8.423 CV     1
 OR { 1733}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1736}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
      4.800     2.900     1.200 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.58534E-03 ppm1      4.024 ppm2      8.878 CV     1
 OR { 1736}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1737}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
      3.900     1.900     1.900 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.70116E-03 ppm1      4.026 ppm2      4.463 CV     1
 OR { 1737}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1742}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HA1 ))
      1.600     0.300     0.600 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.27149E-01 ppm1      3.883 ppm2      4.264 CV     1
 ASSI { 1747}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.800     2.900     1.200 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.26127E-03 ppm1      4.030 ppm2      3.084 CV     1
 OR { 1747}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1748}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB2 ))
      4.600     2.700     1.400 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.33285E-03 ppm1      4.027 ppm2      2.766 CV     1
 OR { 1748}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1749}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 40   and name HB1 ))
      5.700     4.100     0.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.17762E-03 ppm1      3.881 ppm2      3.027 CV     1
 ASSI { 1753}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.45303E-03 ppm1      2.803 ppm2      8.995 CV     1
 ASSI { 1756}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 72   and name HN  ))
      3.900     1.900     1.900 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.10289E-02 ppm1      4.032 ppm2      9.001 CV     1
 ASSI { 1760}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.500     0.800     0.800 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.56104E-02 ppm1      4.286 ppm2      1.650 CV     1
 ASSI { 1766}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.52648E-03 ppm1      2.811 ppm2      7.216 CV     1
 ASSI { 1767}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      5.400     3.600     0.600 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.20090E-03 ppm1      2.798 ppm2      6.922 CV     1
 OR { 1767}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1768}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.000     0.500     0.500 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.98063E-02 ppm1      4.014 ppm2      4.662 CV     1
 ASSI { 1769}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.23516E-02 ppm1      4.031 ppm2      4.964 CV     1
 ASSI { 1770}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.70519E-02 ppm1      3.576 ppm2      4.663 CV     1
 ASSI { 1771}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      4.100     2.100     1.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.59504E-03 ppm1      3.577 ppm2      4.535 CV     1
 ASSI { 1772}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.500     0.300     0.700 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.20661E-01 ppm1      3.577 ppm2      4.013 CV     1
 ASSI { 1773}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.900     0.900 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.14232E-02 ppm1      2.808 ppm2      4.630 CV     1
 ASSI { 1774}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.22821E-02 ppm1      2.809 ppm2      4.962 CV     1
 ASSI { 1775}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HD1 ))
      1.800     0.400     0.400 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.71050E-02 ppm1      2.809 ppm2      4.031 CV     1
 ASSI { 1780}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB1 ))
      4.700     2.800     1.300 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.42858E-03 ppm1      4.039 ppm2      2.249 CV     1
 ASSI { 1781}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.11228E-02 ppm1      4.028 ppm2      2.032 CV     1
 ASSI { 1782}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.300     0.700     0.700 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.57896E-02 ppm1      4.013 ppm2      2.133 CV     1
 OR { 1782}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1786}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      4.033 ppm2      1.306 CV     1
 ASSI { 1790}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.99125E-03 ppm1      2.811 ppm2      1.078 CV     1
 ASSI { 1791}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.200     1.300     1.300 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.20418E-02 ppm1      2.809 ppm2      2.187 CV     1
 ASSI { 1792}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.400     1.500     1.500 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.58467E-03 ppm1      2.812 ppm2      2.016 CV     1
 ASSI { 1793}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
      5.200     3.400     0.800 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.42940E-03 ppm1      3.574 ppm2      0.847 CV     1
 ASSI { 1796}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.74108E-03 ppm1      4.011 ppm2      4.535 CV     1
 ASSI { 1797}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.31927E-02 ppm1      4.751 ppm2      8.925 CV     1
 ASSI { 1799}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.29566E-02 ppm1      4.747 ppm2      7.970 CV     1
 ASSI { 1800}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.41095E-02 ppm1      4.375 ppm2      8.248 CV     1
 ASSI { 1802}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.24188E-02 ppm1      4.477 ppm2      7.970 CV     1
 ASSI { 1803}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.23116E-02 ppm1      4.477 ppm2      7.830 CV     1
 ASSI { 1805}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.41769E-02 ppm1      4.750 ppm2      3.295 CV     1
 ASSI { 1808}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.51556E-02 ppm1      4.756 ppm2      2.858 CV     1
 ASSI { 1813}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      1.900     0.500     0.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.10922E-01 ppm1      4.365 ppm2      9.431 CV     1
 ASSI { 1814}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.200     0.600     0.600 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.85700E-02 ppm1      4.317 ppm2      8.459 CV     1
 ASSI { 1816}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.400     1.400     1.400 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      4.462 ppm2      8.278 CV     1
 ASSI { 1818}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.41012E-02 ppm1      4.522 ppm2      8.623 CV     1
 ASSI { 1821}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.27203E-02 ppm1      4.365 ppm2      8.152 CV     1
 ASSI { 1822}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.13701E-02 ppm1      4.225 ppm2      7.974 CV     1
 ASSI { 1823}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.52276E-02 ppm1      4.284 ppm2      7.960 CV     1
 ASSI { 1824}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.30905E-02 ppm1      4.284 ppm2      7.749 CV     1
 ASSI { 1825}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.34202E-02 ppm1      4.403 ppm2      7.706 CV     1
 ASSI { 1826}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.65956E-03 ppm1      4.461 ppm2      7.749 CV     1
 ASSI { 1827}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.46705E-02 ppm1      4.464 ppm2      7.588 CV     1
 ASSI { 1828}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.72367E-03 ppm1      4.283 ppm2      7.845 CV     1
 ASSI { 1829}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.84357E-03 ppm1      4.415 ppm2      8.213 CV     1
 ASSI { 1830}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.200     1.200 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.20893E-02 ppm1      4.525 ppm2      7.408 CV     1
 ASSI { 1831}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.21740E-02 ppm1      4.317 ppm2      7.210 CV     1
 ASSI { 1834}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.30078E-02 ppm1      4.723 ppm2      2.775 CV     1
 ASSI { 1837}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.88763E-02 ppm1      4.525 ppm2      2.744 CV     1
 ASSI { 1838}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.15865E-02 ppm1      4.366 ppm2      3.021 CV     1
 ASSI { 1839}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.400     1.400     1.400 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.80095E-03 ppm1      4.372 ppm2      3.303 CV     1
 ASSI { 1843}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.100     0.500     0.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.12359E-01 ppm1      4.405 ppm2      1.673 CV     1
 ASSI { 1844}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.500     0.800     0.800 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.41411E-02 ppm1      4.316 ppm2      1.784 CV     1
 OR { 1844}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1846}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.43823E-02 ppm1      4.321 ppm2      1.415 CV     1
 ASSI { 1847}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      3.200     1.300     1.300 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.15555E-02 ppm1      4.234 ppm2      1.487 CV     1
 ASSI { 1849}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.700     1.700     1.700 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.99860E-03 ppm1      4.368 ppm2      1.579 CV     1
 ASSI { 1850}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.000     1.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.23994E-02 ppm1      4.371 ppm2      1.450 CV     1
 ASSI { 1852}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.42050E-02 ppm1      4.366 ppm2      1.236 CV     1
 ASSI { 1859}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      4.500     2.500     1.500 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.47117E-03 ppm1      4.363 ppm2      0.860 CV     1
 ASSI { 1862}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.28307E-02 ppm1      5.272 ppm2      9.091 CV     1
 ASSI { 1863}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.19263E-02 ppm1      4.527 ppm2      9.434 CV     1
 ASSI { 1864}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.200     1.200 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.14974E-02 ppm1      4.263 ppm2      8.976 CV     1
 ASSI { 1865}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.33148E-02 ppm1      3.954 ppm2      8.763 CV     1
 ASSI { 1866}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      3.984 ppm2      8.221 CV     1
 ASSI { 1867}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.77487E-03 ppm1      3.957 ppm2      8.423 CV     1
 ASSI { 1868}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.500     1.500     1.500 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.94965E-03 ppm1      3.960 ppm2      8.234 CV     1
 ASSI { 1871}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     0.600     0.600 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.10942E-01 ppm1      4.529 ppm2      9.032 CV     1
 ASSI { 1872}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.44452E-02 ppm1      4.262 ppm2      8.232 CV     1
 ASSI { 1873}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      4.260 ppm2      8.113 CV     1
 ASSI { 1874}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.20433E-02 ppm1      3.984 ppm2      8.029 CV     1
 ASSI { 1876}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.18812E-02 ppm1      4.318 ppm2      8.507 CV     1
 ASSI { 1877}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.400     1.400 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.13817E-02 ppm1      5.270 ppm2      7.474 CV     1
 ASSI { 1878}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.200     1.200 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.14109E-02 ppm1      5.271 ppm2      7.114 CV     1
 ASSI { 1879}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.500     0.800     0.800 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.47558E-02 ppm1      5.271 ppm2      3.019 CV     1
 ASSI { 1880}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.46117E-02 ppm1      5.271 ppm2      2.889 CV     1
 ASSI { 1881}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      4.261 ppm2      2.757 CV     1
 ASSI { 1882}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      4.261 ppm2      2.512 CV     1
 ASSI { 1883}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.35248E-02 ppm1      4.260 ppm2      2.352 CV     1
 ASSI { 1884}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.600     0.900     0.900 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.28916E-02 ppm1      4.316 ppm2      2.349 CV     1
 ASSI { 1885}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.24295E-02 ppm1      4.311 ppm2      2.212 CV     1
 ASSI { 1886}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.11679E-01 ppm1      4.261 ppm2      1.651 CV     1
 ASSI { 1887}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.500     0.800     0.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.47396E-02 ppm1      4.530 ppm2      1.576 CV     1
 OR { 1887}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1888}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.35296E-02 ppm1      4.529 ppm2      1.362 CV     1
 ASSI { 1890}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.38269E-02 ppm1      4.362 ppm2      1.487 CV     1
 ASSI { 1895}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      3.300     1.300     1.300 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.35378E-02 ppm1      4.532 ppm2      0.623 CV     1
 OR { 1895}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1897}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.39946E-02 ppm1      4.631 ppm2      1.746 CV     1
 OR { 1897}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1902}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.38089E-02 ppm1      4.628 ppm2      2.080 CV     1
 ASSI { 1904}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.31766E-02 ppm1      4.735 ppm2      2.182 CV     1
 ASSI { 1906}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.100     1.200     1.200 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.14634E-02 ppm1      4.741 ppm2      1.629 CV     1
 ASSI { 1908}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.12015E-02 ppm1      4.409 ppm2      2.153 CV     1
 ASSI { 1909}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.42464E-02 ppm1      4.478 ppm2      8.482 CV     1
 ASSI { 1910}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.64307E-02 ppm1      4.480 ppm2      8.246 CV     1
 ASSI { 1911}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.35660E-02 ppm1      4.454 ppm2      8.820 CV     1
 ASSI { 1913}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.24629E-02 ppm1      4.454 ppm2      8.625 CV     1
 ASSI { 1914}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.32257E-02 ppm1      4.217 ppm2      8.280 CV     1
 ASSI { 1916}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.700     1.700     1.700 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.50464E-03 ppm1      4.218 ppm2      7.839 CV     1
 ASSI { 1917}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.200     1.200     1.200 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.20718E-02 ppm1      4.394 ppm2      7.836 CV     1
 ASSI { 1918}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.41895E-02 ppm1      4.396 ppm2      7.744 CV     1
 ASSI { 1919}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.700     1.700     1.700 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.57222E-03 ppm1      4.455 ppm2      7.405 CV     1
 ASSI { 1920}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.000     1.100     1.100 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.27280E-02 ppm1      4.479 ppm2      2.408 CV     1
 OR { 1920}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1921}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.700     0.900     0.900 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.38841E-02 ppm1      4.479 ppm2      2.235 CV     1
 ASSI { 1922}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.000     1.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.27265E-02 ppm1      4.479 ppm2      2.072 CV     1
 ASSI { 1924}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.300     1.400     1.400 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.16801E-02 ppm1      4.394 ppm2      2.463 CV     1
 ASSI { 1925}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.46758E-02 ppm1      4.396 ppm2      2.281 CV     1
 ASSI { 1926}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.900     1.100     1.100 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.25006E-02 ppm1      4.393 ppm2      2.144 CV     1
 ASSI { 1931}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.26283E-02 ppm1      4.216 ppm2      2.010 CV     1
 ASSI { 1932}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.100     1.200     1.200 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.21565E-02 ppm1      4.217 ppm2      1.845 CV     1
 ASSI { 1933}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.600     1.700     1.700 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.59800E-03 ppm1      3.963 ppm2      2.051 CV     1
 ASSI { 1937}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.10097E-02 ppm1      3.954 ppm2      1.421 CV     1
 ASSI { 1938}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      2.900     1.000     1.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.31890E-02 ppm1      4.454 ppm2      1.390 CV     1
 ASSI { 1940}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      4.800     2.800     1.200 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.42138E-03 ppm1      4.481 ppm2      1.240 CV     1
 ASSI { 1942}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.000     0.500     0.500 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.13041E-01 ppm1      4.218 ppm2      0.985 CV     1
 OR { 1942}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1943}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      4.500     2.600     1.500 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.79253E-03 ppm1      4.219 ppm2      0.882 CV     1
 ASSI { 1946}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.100     1.200     1.200 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.15463E-02 ppm1      3.309 ppm2      1.201 CV     1
 ASSI { 1947}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.200     1.200 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.21921E-02 ppm1      3.312 ppm2      1.036 CV     1
 ASSI { 1950}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.400     0.700     0.700 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.32483E-02 ppm1      3.896 ppm2      1.632 CV     1
 ASSI { 1952}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.100     1.200     1.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.19365E-02 ppm1      3.893 ppm2      1.353 CV     1
 ASSI { 1955}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.600     1.600 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.38080E-02 ppm1      3.894 ppm2      0.228 CV     1
 ASSI { 1961}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.300     1.300 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.15174E-02 ppm1      4.216 ppm2      0.631 CV     1
 OR { 1961}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1963}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.800     1.000     1.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.18866E-02 ppm1      4.402 ppm2      1.135 CV     1
 ASSI { 1964}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.700     1.700     1.700 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      4.405 ppm2      0.888 CV     1
 ASSI { 1965}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.65609E-02 ppm1      4.401 ppm2      0.765 CV     1
 ASSI { 1966}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.58064E-02 ppm1      4.313 ppm2      1.702 CV     1
 ASSI { 1967}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.42531E-02 ppm1      4.314 ppm2      1.451 CV     1
 ASSI { 1970}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.700     0.900     0.900 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.61489E-02 ppm1      4.282 ppm2      2.038 CV     1
 ASSI { 1974}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.49262E-02 ppm1      4.214 ppm2      1.572 CV     1
 ASSI { 1978}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.200     1.300     1.300 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.16495E-02 ppm1      4.215 ppm2      1.892 CV     1
 ASSI { 1979}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.800     1.000     1.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.42725E-02 ppm1      4.740 ppm2      1.062 CV     1
 ASSI { 1983}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      2.500     0.800     0.800 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.31602E-02 ppm1      4.744 ppm2      1.773 CV     1
 OR { 1983}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1985}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.53123E-02 ppm1      4.621 ppm2      2.055 CV     1
 OR { 1985}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1986}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.27781E-02 ppm1      4.400 ppm2      1.984 CV     1
 ASSI { 1987}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.19366E-02 ppm1      4.401 ppm2      1.891 CV     1
 ASSI { 1988}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.33040E-02 ppm1      4.397 ppm2      1.449 CV     1
 ASSI { 1995}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.600     0.900     0.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.25834E-02 ppm1      4.594 ppm2      3.020 CV     1
 ASSI { 1996}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.600     0.800     0.800 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.34495E-02 ppm1      4.746 ppm2      3.012 CV     1
 ASSI { 1997}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.800     0.800 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.33443E-02 ppm1      4.742 ppm2      3.304 CV     1
 ASSI { 2000}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.800     0.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.24484E-02 ppm1      3.893 ppm2      4.414 CV     1
 ASSI { 2002}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.23052E-02 ppm1      3.311 ppm2      7.512 CV     1
 ASSI { 2003}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.35259E-02 ppm1      3.893 ppm2      8.468 CV     1
 ASSI { 2005}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.15917E-02 ppm1      4.278 ppm2      8.263 CV     1
 ASSI { 2007}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.50319E-02 ppm1      4.278 ppm2      8.011 CV     1
 ASSI { 2008}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.23098E-02 ppm1      4.309 ppm2      7.717 CV     1
 ASSI { 2009}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.30445E-02 ppm1      4.312 ppm2      7.443 CV     1
 ASSI { 2011}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      4.216 ppm2      7.705 CV     1
 ASSI { 2012}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.28962E-02 ppm1      4.405 ppm2      8.405 CV     1
 ASSI { 2014}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.100     0.600     0.600 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.11846E-01 ppm1      4.590 ppm2      7.977 CV     1
 ASSI { 2019}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.11310E-02 ppm1      3.308 ppm2      8.999 CV     1
 ASSI { 2021}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.97752E-03 ppm1      3.309 ppm2      7.316 CV     1
 ASSI { 2023}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.12422E-02 ppm1      4.316 ppm2      8.728 CV     1
 ASSI { 2024}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.67972E-03 ppm1      4.569 ppm2      7.675 CV     1
 ASSI { 2025}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.900     1.000     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.23533E-02 ppm1      4.594 ppm2      6.975 CV     1
 ASSI { 2027}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      5.100     3.300     0.900 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.39120E-03 ppm1      3.311 ppm2      4.239 CV     1
 ASSI { 2028}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HD1 ))
      4.700     2.800     1.300 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.57962E-03 ppm1      3.310 ppm2      4.034 CV     1
 ASSI { 2030}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.400     1.400 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.22387E-02 ppm1      3.893 ppm2      0.614 CV     1
 ASSI { 2031}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.65455E-02 ppm1      4.098 ppm2      1.899 CV     1
 ASSI { 2032}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.600     0.800     0.800 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.30287E-02 ppm1      4.093 ppm2      1.613 CV     1
 ASSI { 2033}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.26890E-02 ppm1      4.098 ppm2      1.369 CV     1
 ASSI { 2034}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.300     1.300     1.300 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.20630E-02 ppm1      4.098 ppm2      0.997 CV     1
 ASSI { 2036}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.900     1.000     1.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.33404E-02 ppm1      3.894 ppm2      2.197 CV     1
 ASSI { 2038}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.600     0.800     0.800 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.53470E-02 ppm1      4.365 ppm2      2.261 CV     1
 ASSI { 2039}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.52015E-02 ppm1      4.363 ppm2      2.138 CV     1
 ASSI { 2049}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.700     0.900     0.900 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.33413E-02 ppm1      4.210 ppm2      2.397 CV     1
 ASSI { 2050}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.59417E-02 ppm1      4.214 ppm2      2.268 CV     1
 ASSI { 2054}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.51637E-02 ppm1      4.240 ppm2      2.016 CV     1
 ASSI { 2055}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.900     1.100     1.100 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.31561E-02 ppm1      4.243 ppm2      1.743 CV     1
 ASSI { 2061}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.200     1.300     1.300 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.17699E-02 ppm1      4.212 ppm2      1.046 CV     1
 ASSI { 2066}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.56951E-02 ppm1      4.687 ppm2      2.131 CV     1
 ASSI { 2067}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.800     0.900     0.900 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.45119E-02 ppm1      4.365 ppm2      2.503 CV     1
 OR { 2067}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 2073}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.300     2.300     1.700 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      4.099 ppm2      3.020 CV     1
 ASSI { 2076}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.90861E-03 ppm1      4.360 ppm2      7.572 CV     1
 ASSI { 2077}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.11633E-02 ppm1      4.365 ppm2      8.069 CV     1
 ASSI { 2079}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      4.241 ppm2      7.719 CV     1
 ASSI { 2081}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.28589E-02 ppm1      4.273 ppm2      7.780 CV     1
 ASSI { 2082}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.44119E-02 ppm1      4.098 ppm2      8.084 CV     1
 ASSI { 2083}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.37089E-02 ppm1      3.893 ppm2      8.727 CV     1
 ASSI { 2086}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.44448E-02 ppm1      4.210 ppm2      8.219 CV     1
 ASSI { 2087}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.30940E-02 ppm1      4.234 ppm2      8.518 CV     1
 ASSI { 2089}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.900     1.000     1.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.33966E-02 ppm1      4.683 ppm2      7.446 CV     1
 ASSI { 2090}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.12104E-01 ppm1      4.686 ppm2      8.486 CV     1
 ASSI { 2091}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.35233E-02 ppm1      4.365 ppm2      9.557 CV     1
 ASSI { 2092}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.27394E-02 ppm1      3.526 ppm2      8.840 CV     1
 ASSI { 2093}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.27927E-02 ppm1      3.611 ppm2      8.998 CV     1
 ASSI { 2095}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.41704E-02 ppm1      4.270 ppm2      8.923 CV     1
 ASSI { 2096}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.35204E-02 ppm1      4.094 ppm2      8.976 CV     1
 ASSI { 2098}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     0.900     0.900 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.29417E-02 ppm1      4.308 ppm2      8.236 CV     1
 ASSI { 2100}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.38600E-02 ppm1      4.773 ppm2      8.839 CV     1
 ASSI { 2102}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.39309E-02 ppm1      4.034 ppm2      7.981 CV     1
 ASSI { 2103}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      3.523 ppm2      8.410 CV     1
 ASSI { 2105}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.600     1.600 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.74021E-03 ppm1      3.609 ppm2      7.840 CV     1
 ASSI { 2107}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.88436E-03 ppm1      3.530 ppm2      7.220 CV     1
 ASSI { 2108}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.29490E-02 ppm1      4.093 ppm2      7.526 CV     1
 ASSI { 2109}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.12647E-02 ppm1      4.034 ppm2      7.703 CV     1
 ASSI { 2110}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.77936E-03 ppm1      4.038 ppm2      8.451 CV     1
 ASSI { 2111}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.12441E-02 ppm1      4.270 ppm2      7.782 CV     1
 ASSI { 2113}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.20124E-02 ppm1      4.270 ppm2      8.467 CV     1
 ASSI { 2116}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     0.900     0.900 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.38866E-02 ppm1      4.566 ppm2      4.150 CV     1
 ASSI { 2117}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.55558E-02 ppm1      4.569 ppm2      4.055 CV     1
 ASSI { 2118}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      3.100     1.200     1.200 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.17048E-02 ppm1      4.305 ppm2      3.199 CV     1
 OR { 2118}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2120}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.700     2.800     1.300 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.52873E-03 ppm1      3.612 ppm2      3.028 CV     1
 ASSI { 2121}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.43096E-02 ppm1      4.094 ppm2      2.511 CV     1
 ASSI { 2122}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.400     0.700     0.700 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.62735E-02 ppm1      4.093 ppm2      2.334 CV     1
 OR { 2122}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2124}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.85001E-02 ppm1      4.034 ppm2      2.027 CV     1
 OR { 2124}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 2125}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.300     1.300     1.300 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.20038E-02 ppm1      4.033 ppm2      1.936 CV     1
 ASSI { 2126}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.33716E-02 ppm1      4.035 ppm2      1.692 CV     1
 ASSI { 2128}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.47438E-02 ppm1      3.527 ppm2      2.040 CV     1
 OR { 2128}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2130}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.34343E-02 ppm1      3.611 ppm2      2.196 CV     1
 ASSI { 2131}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.100     1.100 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.29847E-02 ppm1      3.613 ppm2      1.866 CV     1
 ASSI { 2135}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.31460E-02 ppm1      3.527 ppm2      1.162 CV     1
 ASSI { 2137}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.400     1.400     1.400 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.11343E-02 ppm1      3.529 ppm2      0.794 CV     1
 ASSI { 2139}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.200     2.200     1.800 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.11986E-02 ppm1      3.612 ppm2      1.035 CV     1
 ASSI { 2140}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.400     1.500     1.500 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.12724E-02 ppm1      3.611 ppm2      0.883 CV     1
 ASSI { 2142}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.100     1.200     1.200 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.49113E-02 ppm1      4.093 ppm2      0.928 CV     1
 ASSI { 2143}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.96307E-03 ppm1      4.093 ppm2      0.812 CV     1
 ASSI { 2144}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.700     0.900     0.900 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.38500E-02 ppm1      4.034 ppm2      1.120 CV     1
 ASSI { 2148}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.15319E-02 ppm1      4.270 ppm2      0.359 CV     1
 ASSI { 2150}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.700     0.900     0.900 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.38880E-02 ppm1      3.612 ppm2      0.460 CV     1
 ASSI { 2155}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.000     0.500     0.500 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.12825E-01 ppm1      4.446 ppm2      9.096 CV     1
 ASSI { 2156}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.77512E-02 ppm1      4.518 ppm2      8.493 CV     1
 ASSI { 2157}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.24275E-02 ppm1      4.516 ppm2      8.248 CV     1
 ASSI { 2160}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.800     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.26776E-02 ppm1      4.444 ppm2      7.301 CV     1
 ASSI { 2162}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.74669E-02 ppm1      4.518 ppm2      4.386 CV     1
 ASSI { 2164}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.200     0.600     0.600 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.63260E-02 ppm1      4.446 ppm2      2.409 CV     1
 ASSI { 2165}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.13661E-02 ppm1      4.445 ppm2      2.277 CV     1
 ASSI { 2167}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      5.000     3.200     1.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.84868E-03 ppm1      4.448 ppm2      3.015 CV     1
 ASSI { 2169}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.300     0.700     0.700 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.74164E-02 ppm1      4.669 ppm2      2.455 CV     1
 ASSI { 2170}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.700     0.900     0.900 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.54991E-02 ppm1      4.516 ppm2      1.245 CV     1
 ASSI { 2172}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      4.600     2.700     1.400 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.11303E-02 ppm1      4.666 ppm2      0.877 CV     1
 ASSI { 2176}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.21079E-02 ppm1      4.333 ppm2      8.132 CV     1
 ASSI { 2177}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.500     0.500 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.19283E-01 ppm1      4.393 ppm2      8.150 CV     1
 ASSI { 2179}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.86966E-02 ppm1      4.334 ppm2      8.608 CV     1
 ASSI { 2180}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.16623E-02 ppm1      4.382 ppm2      8.467 CV     1
 ASSI { 2182}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.66517E-03 ppm1      4.383 ppm2      7.558 CV     1
 ASSI { 2183}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.600     0.800     0.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.35407E-02 ppm1      4.376 ppm2      7.119 CV     1
 ASSI { 2184}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      5.000     3.100     1.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.74322E-03 ppm1      4.376 ppm2      6.992 CV     1
 ASSI { 2185}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.15434E-01 ppm1      4.111 ppm2      4.385 CV     1
 OR { 2185}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2186}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.200     0.600     0.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.10140E-01 ppm1      4.393 ppm2      4.187 CV     1
 ASSI { 2187}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.29329E-02 ppm1      4.380 ppm2      3.587 CV     1
 ASSI { 2188}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.17824E-02 ppm1      4.382 ppm2      3.086 CV     1
 ASSI { 2189}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      4.380 ppm2      1.548 CV     1
 ASSI { 2190}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.500     2.500     1.500 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.93980E-03 ppm1      4.397 ppm2      1.496 CV     1
 ASSI { 2191}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.600     0.800     0.800 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.50560E-02 ppm1      4.393 ppm2      1.383 CV     1
 ASSI { 2194}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      3.200     1.300     1.300 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.21282E-02 ppm1      4.378 ppm2      1.826 CV     1
 ASSI { 2195}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      4.700     2.800     1.300 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.10320E-02 ppm1      4.381 ppm2      2.456 CV     1
 ASSI { 2196}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      5.200     3.400     0.800 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.27134E-03 ppm1      4.114 ppm2      2.490 CV     1
 OR { 2196}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 2197}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.600     2.600     1.400 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.37533E-03 ppm1      4.114 ppm2      2.354 CV     1
 OR { 2197}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2198}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HB2 ))
      4.200     2.200     1.800 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.38022E-03 ppm1      4.113 ppm2      1.642 CV     1
 OR { 2198}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2199}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      4.800     2.800     1.200 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.39130E-03 ppm1      4.115 ppm2      1.355 CV     1
 OR { 2199}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2200}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      4.000     2.000     2.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.81264E-03 ppm1      4.395 ppm2      1.719 CV     1
 ASSI { 2201}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.200     3.400     0.800 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.32243E-03 ppm1      4.339 ppm2      2.879 CV     1
 ASSI { 2202}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.900     3.000     1.100 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.37588E-03 ppm1      4.336 ppm2      2.769 CV     1
 ASSI { 2204}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.59626E-03 ppm1      4.388 ppm2      2.796 CV     1
 ASSI { 2205}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      5.200     3.400     0.800 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.29027E-03 ppm1      4.119 ppm2      8.971 CV     1
 OR { 2205}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 2211}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.000     0.500     0.500 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.14447E-01 ppm1      4.533 ppm2      8.821 CV     1
 ASSI { 2212}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      4.037 ppm2      8.234 CV     1
 ASSI { 2220}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.33960E-02 ppm1      3.802 ppm2      8.485 CV     1
 ASSI { 2221}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.32235E-02 ppm1      3.756 ppm2      8.486 CV     1
 ASSI { 2222}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11495E-02 ppm1      3.802 ppm2      8.144 CV     1
 ASSI { 2223}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.91626E-03 ppm1      3.755 ppm2      8.144 CV     1
 ASSI { 2226}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      3.980 ppm2      8.563 CV     1
 ASSI { 2227}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.33631E-02 ppm1      3.802 ppm2      4.843 CV     1
 ASSI { 2228}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.30462E-02 ppm1      3.759 ppm2      4.843 CV     1
 ASSI { 2234}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.81627E-02 ppm1      4.036 ppm2      4.304 CV     1
 ASSI { 2235}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.95797E-02 ppm1      3.979 ppm2      4.303 CV     1
 ASSI { 2237}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.100     0.600     0.600 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.78349E-02 ppm1      4.532 ppm2      2.545 CV     1
 ASSI { 2240}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.46503E-02 ppm1      4.536 ppm2      2.080 CV     1
 ASSI { 2241}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      3.300     1.400     1.400 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.48847E-03 ppm1      4.064 ppm2      2.352 CV     1
 ASSI { 2242}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      3.900     1.900     1.900 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.47293E-03 ppm1      4.148 ppm2      2.340 CV     1
 ASSI { 2243}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.700     2.800     1.300 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.55200E-03 ppm1      4.059 ppm2      2.209 CV     1
 ASSI { 2244}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.900     3.000     1.100 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.64006E-03 ppm1      4.144 ppm2      2.206 CV     1
 ASSI { 2247}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.35083E-02 ppm1      3.745 ppm2      1.941 CV     1
 ASSI { 2248}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.100     1.200     1.200 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.24505E-02 ppm1      3.747 ppm2      1.728 CV     1
 ASSI { 2252}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      4.700     2.700     1.300 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.31721E-03 ppm1      4.061 ppm2      1.137 CV     1
 ASSI { 2253}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.400     2.400     1.600 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.36535E-03 ppm1      4.143 ppm2      1.127 CV     1
 ASSI { 2254}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.34333E-02 ppm1      3.746 ppm2      1.287 CV     1
 ASSI { 2257}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.32793E-03 ppm1      4.144 ppm2      0.769 CV     1
 ASSI { 2258}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      5.000     3.100     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.22326E-03 ppm1      4.059 ppm2      0.766 CV     1
 ASSI { 2259}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.29915E-02 ppm1      4.350 ppm2      8.920 CV     1
 ASSI { 2261}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.400     1.400 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.74087E-03 ppm1      4.236 ppm2      8.998 CV     1
 ASSI { 2262}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     0.900     0.900 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.24935E-02 ppm1      4.190 ppm2      8.921 CV     1
 ASSI { 2263}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.40803E-02 ppm1      3.944 ppm2      8.454 CV     1
 ASSI { 2265}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.17064E-02 ppm1      3.826 ppm2      8.217 CV     1
 ASSI { 2268}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.57891E-03 ppm1      4.236 ppm2      8.725 CV     1
 ASSI { 2271}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.14676E-02 ppm1      4.233 ppm2      7.711 CV     1
 ASSI { 2272}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.42036E-02 ppm1      3.826 ppm2      7.404 CV     1
 ASSI { 2273}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.100     0.600     0.600 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.58049E-02 ppm1      4.234 ppm2      6.891 CV     1
 ASSI { 2274}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      5.400     3.700     0.600 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.25279E-03 ppm1      4.242 ppm2      7.307 CV     1
 ASSI { 2277}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      4.300     2.400     1.700 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.33176E-03 ppm1      3.828 ppm2      4.521 CV     1
 ASSI { 2283}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      4.000     2.000     2.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.47132E-03 ppm1      4.352 ppm2      3.484 CV     1
 ASSI { 2284}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28A))
      4.300     2.300     1.700 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.50469E-03 ppm1      4.187 ppm2      3.477 CV     1
 ASSI { 2285}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
      3.400     1.400     1.400 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.10847E-02 ppm1      3.827 ppm2      3.276 CV     1
 OR { 2285}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 2286}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.11481E-03 ppm1      3.947 ppm2      2.637 CV     1
 ASSI { 2287}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.48481E-02 ppm1      3.944 ppm2      2.275 CV     1
 ASSI { 2291}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.100     0.600     0.600 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.51704E-02 ppm1      4.233 ppm2      2.250 CV     1
 ASSI { 2292}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.100     1.100 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.22481E-02 ppm1      4.232 ppm2      2.014 CV     1
 ASSI { 2294}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.18626E-02 ppm1      3.826 ppm2      1.861 CV     1
 ASSI { 2295}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.600     1.600     1.600 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1      3.825 ppm2      1.763 CV     1
 OR { 2295}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 2297}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.300     2.300     1.700 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.54042E-03 ppm1      3.944 ppm2      1.439 CV     1
 ASSI { 2300}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.200     0.600     0.600 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.10856E-01 ppm1      3.826 ppm2      1.019 CV     1
 ASSI { 2301}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.22645E-02 ppm1      4.235 ppm2      1.702 CV     1
 ASSI { 2302}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      4.300     2.300     1.700 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.54960E-03 ppm1      4.350 ppm2      1.384 CV     1
 ASSI { 2303}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.700     1.700 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.17967E-02 ppm1      4.232 ppm2      1.314 CV     1
 ASSI { 2306}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      4.800     2.900     1.200 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.53807E-03 ppm1      4.194 ppm2      1.395 CV     1
 ASSI { 2309}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      5.300     3.500     0.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.22461E-03 ppm1      4.228 ppm2      0.468 CV     1
 ASSI { 2313}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10752E-02 ppm1      3.964 ppm2      8.120 CV     1
 ASSI { 2314}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.67380E-03 ppm1      3.870 ppm2      8.252 CV     1
 ASSI { 2315}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.11471E-02 ppm1      3.870 ppm2      8.070 CV     1
 ASSI { 2316}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.400     2.400     1.600 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.30385E-03 ppm1      3.873 ppm2      7.895 CV     1
 ASSI { 2317}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.52373E-03 ppm1      3.960 ppm2      8.761 CV     1
 ASSI { 2319}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.800     1.800     1.800 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.59835E-03 ppm1      3.871 ppm2      7.339 CV     1
 OR { 2319}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 2320}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.43783E-03 ppm1      3.873 ppm2      7.217 CV     1
 ASSI { 2324}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.22007E-02 ppm1      4.321 ppm2      8.250 CV     1
 ASSI { 2329}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      4.800     2.800     1.200 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.23822E-03 ppm1      3.871 ppm2      4.764 CV     1
 ASSI { 2334}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.300     2.300     1.700 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.36549E-03 ppm1      3.957 ppm2      3.307 CV     1
 ASSI { 2337}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.26081E-02 ppm1      3.870 ppm2      2.337 CV     1
 ASSI { 2340}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.50675E-02 ppm1      3.961 ppm2      1.131 CV     1
 ASSI { 2342}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      3.871 ppm2      0.879 CV     1
 ASSI { 2344}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.13093E-02 ppm1      3.870 ppm2      0.458 CV     1
 ASSI { 2345}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.700     1.700 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.10027E-02 ppm1      3.872 ppm2      1.133 CV     1
 ASSI { 2348}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.43873E-02 ppm1      4.421 ppm2      1.127 CV     1
 ASSI { 2349}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.46517E-03 ppm1      4.419 ppm2      0.361 CV     1
 ASSI { 2352}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.28318E-02 ppm1      4.420 ppm2      8.764 CV     1
 ASSI { 2354}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.35802E-02 ppm1      4.228 ppm2      8.135 CV     1
 ASSI { 2355}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.15687E-02 ppm1      4.231 ppm2      8.606 CV     1
 ASSI { 2359}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.58605E-02 ppm1      4.230 ppm2      4.342 CV     1
 ASSI { 2367}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
      3.400     1.500     1.500 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.11782E-02 ppm1      4.187 ppm2      0.990 CV     1
 OR { 2367}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2371}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      4.372 ppm2      8.247 CV     1
 ASSI { 2375}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 18   and name HB% )
      3.100     3.100     2.900 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.55359E-03 ppm1      4.383 ppm2      1.551 CV     1
 ASSI { 2376}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      3.900     1.900     1.900 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.55042E-03 ppm1      6.759 ppm2      0.362 CV     1
 ASSI { 2377}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.600     1.500 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.78273E-03 ppm1      6.759 ppm2      0.227 CV     1
 ASSI { 2382}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.70320E-02 ppm1      6.816 ppm2      1.034 CV     1
 ASSI { 2383}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 24   and name HG2%)
      3.200     1.300     1.300 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      6.759 ppm2      1.258 CV     1
 ASSI { 2388}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      4.000     2.000     2.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.48520E-03 ppm1      6.761 ppm2      1.991 CV     1
 ASSI { 2389}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.300     1.300 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.83434E-03 ppm1      6.815 ppm2      1.903 CV     1
 ASSI { 2390}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      4.200     2.200     1.800 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.71254E-03 ppm1      6.760 ppm2      1.835 CV     1
 ASSI { 2392}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.86542E-03 ppm1      6.816 ppm2      3.460 CV     1
 ASSI { 2393}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD1 ))
      3.100     1.200     1.200 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.13488E-02 ppm1      6.817 ppm2      3.090 CV     1
 ASSI { 2395}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.600     2.600     1.400 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.53118E-03 ppm1      6.758 ppm2      3.019 CV     1
 ASSI { 2396}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.100     2.100     1.900 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.10275E-02 ppm1      6.815 ppm2      2.785 CV     1
 ASSI { 2398}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      4.200     2.200     1.800 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.73143E-03 ppm1      6.817 ppm2      4.677 CV     1
 ASSI { 2400}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.70315E-03 ppm1      6.817 ppm2      4.538 CV     1
 ASSI { 2402}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.14034E-02 ppm1      6.816 ppm2      4.315 CV     1
 ASSI { 2406}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HB2 ))
      3.900     1.900     1.900 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.67385E-03 ppm1      6.762 ppm2      4.068 CV     1
 ASSI { 2407}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.200     1.200 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.21575E-02 ppm1      6.760 ppm2      3.898 CV     1
 ASSI { 2408}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 56   and name HD% )
      1.800     0.400     0.400 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.21097E-01 ppm1      6.816 ppm2      7.446 CV     1
 ASSI { 2409}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.71086E-03 ppm1      6.816 ppm2      8.123 CV     1
 ASSI { 2410}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.700     1.700 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.87854E-03 ppm1      6.762 ppm2      8.468 CV     1
 ASSI { 2419}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.44026E-03 ppm1      6.888 ppm2      1.709 CV     1
 ASSI { 2420}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.700     4.100     0.300 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.15598E-03 ppm1      6.896 ppm2      2.253 CV     1
 ASSI { 2423}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD1%)
      4.100     2.100     1.900 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.38728E-03 ppm1      7.338 ppm2      0.463 CV     1
 ASSI { 2425}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.45540E-03 ppm1      7.352 ppm2      1.142 CV     1
 ASSI { 2426}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.71606E-03 ppm1      7.345 ppm2      2.050 CV     1
 OR { 2426}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2427}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.200     1.900 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      7.342 ppm2      3.523 CV     1
 ASSI { 2429}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HG  ))
      3.900     1.900     1.900 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.39165E-03 ppm1      7.352 ppm2      1.896 CV     1
 ASSI { 2430}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      7.219 ppm2      0.460 CV     1
 ASSI { 2435}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD1%)
      4.100     2.100     1.900 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.38649E-03 ppm1      7.214 ppm2      0.699 CV     1
 ASSI { 2441}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.50018E-03 ppm1      6.975 ppm2      0.358 CV     1
 ASSI { 2443}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      3.300     1.300     1.300 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.72382E-03 ppm1      6.929 ppm2      0.361 CV     1
 ASSI { 2445}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.300     1.400     1.400 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.12060E-02 ppm1      6.977 ppm2      0.772 CV     1
 ASSI { 2450}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
      3.400     1.500     1.500 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.48669E-03 ppm1      6.975 ppm2      1.341 CV     1
 ASSI { 2451}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 24   and name HG2%)
      4.300     2.300     1.700 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.24514E-03 ppm1      6.969 ppm2      1.256 CV     1
 ASSI { 2453}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
      4.500     2.500     1.500 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.74638E-03 ppm1      6.931 ppm2      1.318 CV     1
 ASSI { 2454}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
      2.900     1.100     1.100 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.17245E-02 ppm1      6.929 ppm2      1.215 CV     1
 ASSI { 2460}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.300     0.600     0.600 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1      6.975 ppm2      1.830 CV     1
 ASSI { 2462}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      4.700     2.800     1.300 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.36239E-03 ppm1      7.120 ppm2      1.831 CV     1
 ASSI { 2463}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB2 ))
      5.400     3.700     0.600 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.17244E-03 ppm1      7.120 ppm2      1.704 CV     1
 ASSI { 2465}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      3.700     1.800     1.800 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.79176E-03 ppm1      6.933 ppm2      1.701 CV     1
 ASSI { 2472}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.32797E-02 ppm1      6.976 ppm2      3.014 CV     1
 ASSI { 2474}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      4.600     2.700     1.400 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.51617E-03 ppm1      6.929 ppm2      3.087 CV     1
 ASSI { 2477}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB1 ))
      4.600     2.700     1.400 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.46205E-03 ppm1      6.932 ppm2      3.589 CV     1
 ASSI { 2478}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.95659E-03 ppm1      6.976 ppm2      3.895 CV     1
 ASSI { 2483}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      4.900     3.000     1.100 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.36672E-03 ppm1      7.116 ppm2      4.235 CV     1
 ASSI { 2484}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.12669E-02 ppm1      6.933 ppm2      4.236 CV     1
 ASSI { 2487}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.33963E-03 ppm1      6.932 ppm2      5.266 CV     1
 ASSI { 2489}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.32814E-03 ppm1      6.932 ppm2      7.474 CV     1
 ASSI { 2491}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.37700E-03 ppm1      6.974 ppm2      7.976 CV     1
 ASSI { 2492}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.58483E-03 ppm1      6.974 ppm2      8.469 CV     1
 ASSI { 2495}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
      3.100     1.200     1.200 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.33788E-02 ppm1      7.445 ppm2      1.018 CV     1
 ASSI { 2501}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      4.500     2.500     1.500 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.63414E-03 ppm1      7.448 ppm2      1.452 CV     1
 ASSI { 2506}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB1 ))
      3.700     1.700     1.700 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.25560E-03 ppm1      7.442 ppm2      2.209 CV     1
 ASSI { 2519}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.78845E-03 ppm1      7.308 ppm2      4.847 CV     1
 ASSI { 2520}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      4.600     2.600     1.400 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.46398E-03 ppm1      7.314 ppm2      4.742 CV     1
 ASSI { 2524}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.37859E-02 ppm1      7.310 ppm2      8.040 CV     1
 ASSI { 2525}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      4.300     2.400     1.700 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.27384E-03 ppm1      0.875 ppm2      6.807 CV     1
 ASSI { 2526}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      4.500     2.500     1.500 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.35933E-03 ppm1      0.873 ppm2      7.562 CV     1
 ASSI { 2528}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HD21))
      4.400     2.500     1.600 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.30827E-03 ppm1      0.873 ppm2      7.330 CV     1
 ASSI { 2529}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.500     1.500 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.44622E-03 ppm1      0.874 ppm2      9.425 CV     1
 ASSI { 2530}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.52051E-02 ppm1      1.652 ppm2      8.115 CV     1
 ASSI { 2531}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.89952E-02 ppm1      1.651 ppm2      8.233 CV     1
 ASSI { 2536}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.34016E-03 ppm1      1.531 ppm2      0.223 CV     1
 ASSI { 2539}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      4.800     2.900     1.200 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.44100E-03 ppm1      1.528 ppm2      4.425 CV     1
 ASSI { 2546}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.35368E-02 ppm1      1.525 ppm2      8.467 CV     1
 ASSI { 2548}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.39811E-03 ppm1      1.674 ppm2      7.981 CV     1
 ASSI { 2553}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.600     0.600 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.76777E-02 ppm1      1.673 ppm2      7.707 CV     1
 ASSI { 2554}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.10153E-01 ppm1      1.630 ppm2      7.588 CV     1
 ASSI { 2555}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.68753E-03 ppm1      1.627 ppm2      8.474 CV     1
 ASSI { 2560}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.800     2.800     3.200 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.11063E-02 ppm1      1.569 ppm2      7.721 CV     1
 ASSI { 2562}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      4.800     2.900     1.200 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.49420E-03 ppm1      1.609 ppm2      7.844 CV     1
 ASSI { 2563}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      5.500     3.800     0.500 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.39153E-03 ppm1      1.677 ppm2      6.811 CV     1
 ASSI { 2564}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.200     1.200     1.200 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.14087E-02 ppm1      1.524 ppm2      6.759 CV     1
 ASSI { 2565}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.700     0.900     0.900 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.24153E-02 ppm1      1.524 ppm2      6.973 CV     1
 ASSI { 2566}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 35   and name HD% )
      5.300     3.600     0.700 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.17564E-03 ppm1      1.527 ppm2      7.103 CV     1
 ASSI { 2569}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      4.000     2.000     2.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.59259E-03 ppm1      1.523 ppm2      4.060 CV     1
 ASSI { 2574}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.700     2.700     3.300 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.12899E-02 ppm1      1.391 ppm2      0.831 CV     1
 ASSI { 2576}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HG11))
      4.300     2.300     1.700 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.91611E-03 ppm1      0.922 ppm2      1.453 CV     1
 ASSI { 2577}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      5.100     3.200     0.900 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.71948E-03 ppm1      1.063 ppm2      6.965 CV     1
 ASSI { 2578}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      5.100     3.200     0.900 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.41933E-03 ppm1      1.064 ppm2      6.756 CV     1
 ASSI { 2579}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 56   and name HE% )
      5.600     3.900     0.400 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.16394E-03 ppm1      0.922 ppm2      6.810 CV     1
 ASSI { 2580}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      5.300     3.500     0.700 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.30164E-03 ppm1      0.921 ppm2      8.973 CV     1
 ASSI { 2581}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      5.100     3.300     0.900 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.38357E-03 ppm1      1.056 ppm2      8.061 CV     1
 ASSI { 2585}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      5.100     3.300     0.900 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.34082E-03 ppm1      1.620 ppm2      6.816 CV     1
 ASSI { 2589}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD1%)
      4.300     2.300     1.700 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.52061E-03 ppm1      1.734 ppm2      0.617 CV     1
 ASSI { 2590}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 5    and name HD1%)
      4.600     2.600     1.400 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.55864E-03 ppm1      1.293 ppm2      0.617 CV     1
 ASSI { 2591}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.200     3.400     0.800 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.41430E-03 ppm1      2.183 ppm2      0.461 CV     1
 ASSI { 2592}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 31   and name HD1%)
      5.000     3.200     1.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.29718E-03 ppm1      1.700 ppm2      0.454 CV     1
 ASSI { 2594}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.600     0.300     0.600 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.16517E-01 ppm1      2.347 ppm2      2.208 CV     1
 ASSI { 2604}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
      2.700     0.900     0.900 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.29896E-02 ppm1      0.781 ppm2      1.205 CV     1
 ASSI { 2605}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.100     1.100 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      0.783 ppm2      1.047 CV     1
 ASSI {    1}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.300     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.88696E-02 ppm1      8.249 ppm2      4.064 CV     1
 OR {    1}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {    2}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.600     1.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.78242E-03 ppm1      8.250 ppm2      3.956 CV     1
 ASSI {    4}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.100     2.100     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.45915E-03 ppm1      8.250 ppm2      4.563 CV     1
 ASSI {    5}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.900     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.25365E-02 ppm1      8.249 ppm2      1.547 CV     1
 ASSI {    6}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.400     2.400     1.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.20063E-03 ppm1      8.250 ppm2      1.042 CV     1
 ASSI {    7}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.700     1.700     1.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.70366E-03 ppm1      7.720 ppm2      1.830 CV     1
 ASSI {    8}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.500     2.600     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.37834E-03 ppm1      7.722 ppm2      1.545 CV     1
 ASSI {    9}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.200     2.200     1.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.61004E-03 ppm1      7.720 ppm2      2.468 CV     1
 ASSI {   10}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.500     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.50320E-03 ppm1      7.722 ppm2      3.012 CV     1
 ASSI {   14}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak    14 spectrum    1 weight  0.10000E+01 volume  0.16081E-02 ppm1      7.720 ppm2      4.670 CV     1
 ASSI {   15}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.700     4.000     0.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.25777E-03 ppm1      7.718 ppm2      0.880 CV     1
 ASSI {   16}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.66650E-03 ppm1      7.721 ppm2      1.061 CV     1
 ASSI {   17}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      7.329 ppm2      3.202 CV     1
 OR {   17}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {   18}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.800     1.800     1.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.60800E-03 ppm1      7.330 ppm2      2.044 CV     1
 OR {   18}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {   19}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.500     1.500     1.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.64511E-03 ppm1      7.329 ppm2      1.399 CV     1
 ASSI {   21}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      4.400     2.400     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.31445E-03 ppm1      7.327 ppm2      4.625 CV     1
 ASSI {   22}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.79539E-03 ppm1      7.328 ppm2      4.308 CV     1
 ASSI {   23}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.500     2.500     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.46048E-03 ppm1      9.078 ppm2      1.028 CV     1
 ASSI {   24}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.22553E-03 ppm1      9.075 ppm2      0.776 CV     1
 ASSI {   25}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      9.075 ppm2      1.637 CV     1
 ASSI {   26}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.900     1.900     1.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.60131E-03 ppm1      9.074 ppm2      1.520 CV     1
 ASSI {   27}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      9.075 ppm2      1.868 CV     1
 ASSI {   30}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
      2.700     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.31944E-02 ppm1      9.074 ppm2      6.899 CV     1
 OR {   30}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
 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 {   31}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.100     3.300     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.31071E-03 ppm1      7.558 ppm2      2.195 CV     1
 ASSI {   32}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.900     3.000     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.36418E-03 ppm1      7.557 ppm2      2.012 CV     1
 ASSI {   33}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.900     1.900     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.29660E-03 ppm1      7.559 ppm2      1.739 CV     1
 ASSI {   34}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.46868E-03 ppm1      7.186 ppm2      1.374 CV     1
 ASSI {   35}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.46257E-03 ppm1      7.184 ppm2      3.103 CV     1
 ASSI {   39}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.200     3.400     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.16135E-03 ppm1      7.184 ppm2      1.898 CV     1
 ASSI {   41}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.800     1.800     1.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.39393E-03 ppm1      7.519 ppm2      1.692 CV     1
 ASSI {   42}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.600     2.600     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.27525E-03 ppm1      7.403 ppm2      1.858 CV     1
 ASSI {   43}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.500     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.69269E-03 ppm1      7.400 ppm2      1.759 CV     1
 OR {   43}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {   44}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.90253E-03 ppm1      8.007 ppm2      3.350 CV     1
 ASSI {   45}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD1 ))
      3.600     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.57150E-03 ppm1      7.520 ppm2      3.378 CV     1
 ASSI {   46}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.300     1.300     1.300 peak    46 spectrum    1 weight  0.10000E+01 volume  0.10753E-02 ppm1      7.518 ppm2      3.312 CV     1
 ASSI {   48}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.800     1.800     1.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.61729E-03 ppm1      7.520 ppm2      2.029 CV     1
 OR {   48}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   49}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.900     1.900     1.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.40409E-03 ppm1      7.518 ppm2      1.922 CV     1
 ASSI {   50}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.400     2.400     1.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.33052E-03 ppm1      7.395 ppm2      2.082 CV     1
 ASSI {   53}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.000     2.000     2.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.54047E-03 ppm1      8.003 ppm2      2.177 CV     1
 ASSI {   54}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.600     1.600     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.50176E-03 ppm1      8.006 ppm2      1.952 CV     1
 ASSI {   55}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     2.700     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.35719E-03 ppm1      8.011 ppm2      1.868 CV     1
 ASSI {   58}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.32042E-02 ppm1      8.031 ppm2      1.394 CV     1
 ASSI {   59}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      4.100     2.100     1.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.35063E-03 ppm1      8.034 ppm2      2.840 CV     1
 ASSI {   60}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.700     1.800     1.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.38100E-03 ppm1      8.031 ppm2      2.748 CV     1
 ASSI {   61}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.500     2.600     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.53291E-03 ppm1      8.032 ppm2      2.197 CV     1
 ASSI {   65}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      8.031 ppm2      4.523 CV     1
 ASSI {   67}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.800     0.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.31126E-02 ppm1      8.031 ppm2      7.481 CV     1
 ASSI {   68}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.32184E-02 ppm1      8.030 ppm2      8.216 CV     1
 ASSI {   69}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.50798E-03 ppm1      8.032 ppm2      7.392 CV     1
 ASSI {   71}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.46060E-02 ppm1      7.721 ppm2      8.064 CV     1
 ASSI {   72}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.78819E-03 ppm1      7.718 ppm2      7.549 CV     1
 ASSI {   73}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.64583E-03 ppm1      7.721 ppm2      6.978 CV     1
 ASSI {   75}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak    75 spectrum    1 weight  0.10000E+01 volume  0.15099E-02 ppm1      8.249 ppm2      8.481 CV     1
 ASSI {   76}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.15467E-02 ppm1      7.675 ppm2      1.693 CV     1
 ASSI {   78}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      4.800     2.900     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.55267E-03 ppm1      7.676 ppm2      1.487 CV     1
 ASSI {   79}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      3.900     1.900     1.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.50398E-03 ppm1      7.676 ppm2      1.375 CV     1
 ASSI {   82}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD1%)
      2.800     1.000     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.18626E-02 ppm1      7.675 ppm2      0.796 CV     1
 ASSI {   83}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.100     2.200     1.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.65001E-03 ppm1      7.477 ppm2      1.224 CV     1
 ASSI {   84}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.100     2.100     1.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.12265E-02 ppm1      7.477 ppm2      1.121 CV     1
 ASSI {   86}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.100     2.100     1.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.97098E-03 ppm1      7.476 ppm2      3.019 CV     1
 ASSI {   89}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.700     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.26799E-02 ppm1      7.476 ppm2      2.475 CV     1
 ASSI {   90}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.300     1.300     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.14728E-02 ppm1      7.478 ppm2      2.276 CV     1
 ASSI {   91}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.500     1.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.10591E-02 ppm1      7.330 ppm2      1.699 CV     1
 ASSI {   93}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      4.500     2.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.83525E-03 ppm1      7.331 ppm2      1.487 CV     1
 ASSI {   97}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.400     1.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.22542E-02 ppm1      7.331 ppm2      0.796 CV     1
 ASSI {   98}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      3.000     1.100     1.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      7.332 ppm2      3.089 CV     1
 ASSI {  100}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.400     1.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      7.676 ppm2      3.094 CV     1
 ASSI {  102}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      3.100     3.100     2.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.56170E-03 ppm1      7.675 ppm2      4.492 CV     1
 ASSI {  104}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.600     1.700     1.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.40337E-03 ppm1      7.479 ppm2      4.966 CV     1
 ASSI {  105}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.97262E-03 ppm1      7.478 ppm2      4.446 CV     1
 ASSI {  108}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.54945E-02 ppm1      7.477 ppm2      9.097 CV     1
 ASSI {  111}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.29887E-03 ppm1      7.331 ppm2      8.871 CV     1
 ASSI {  112}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HA  ))
      5.200     3.400     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.19575E-03 ppm1      7.676 ppm2      4.368 CV     1
 ASSI {  114}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.44033E-03 ppm1      8.496 ppm2      1.252 CV     1
 ASSI {  115}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.900     1.900     1.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.55660E-03 ppm1      7.970 ppm2      0.926 CV     1
 ASSI {  116}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.400     1.500     1.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      8.496 ppm2      2.840 CV     1
 OR {  116}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  117}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.600     1.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.68355E-03 ppm1      7.971 ppm2      2.785 CV     1
 ASSI {  118}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.400     0.700     0.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.98757E-02 ppm1      8.496 ppm2      4.077 CV     1
 OR {  118}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  119}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.31133E-02 ppm1      8.496 ppm2      4.728 CV     1
 ASSI {  121}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12898E-02 ppm1      8.496 ppm2      8.587 CV     1
 ASSI {  122}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.39104E-02 ppm1      7.971 ppm2      8.126 CV     1
 ASSI {  123}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.27776E-02 ppm1      7.968 ppm2      7.525 CV     1
 ASSI {  126}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.75695E-03 ppm1      7.969 ppm2      4.381 CV     1
 ASSI {  127}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.900     1.200 peak   127 spectrum    1 weight  0.10000E+01 volume  0.30913E-03 ppm1      7.972 ppm2      3.458 CV     1
 ASSI {  129}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.400     2.400     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.40240E-03 ppm1      8.423 ppm2      0.878 CV     1
 ASSI {  131}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.13300E-02 ppm1      8.423 ppm2      3.095 CV     1
 ASSI {  132}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak   132 spectrum    1 weight  0.10000E+01 volume  0.83051E-03 ppm1      8.424 ppm2      2.772 CV     1
 ASSI {  133}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.300     2.300     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.30033E-03 ppm1      8.426 ppm2      3.740 CV     1
 ASSI {  135}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.11633E-02 ppm1      8.422 ppm2      4.273 CV     1
 ASSI {  136}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.96037E-03 ppm1      8.422 ppm2      4.910 CV     1
 ASSI {  138}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      5.200     3.400     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.21057E-03 ppm1      8.421 ppm2      1.934 CV     1
 ASSI {  139}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.40796E-02 ppm1      8.423 ppm2      7.588 CV     1
 ASSI {  140}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.26798E-02 ppm1      8.423 ppm2      8.882 CV     1
 ASSI {  141}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.600     1.600     1.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      8.563 ppm2      4.045 CV     1
 ASSI {  144}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.62189E-02 ppm1      8.563 ppm2      4.290 CV     1
 ASSI {  148}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.35103E-03 ppm1      8.059 ppm2      1.033 CV     1
 ASSI {  149}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.800     2.900     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.44041E-03 ppm1      8.049 ppm2      0.963 CV     1
 ASSI {  150}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.700     1.700     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.91805E-03 ppm1      8.051 ppm2      1.780 CV     1
 OR {  150}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  153}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.55747E-03 ppm1      8.060 ppm2      3.021 CV     1
 ASSI {  154}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.25676E-03 ppm1      8.058 ppm2      3.321 CV     1
 ASSI {  155}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.16117E-02 ppm1      8.051 ppm2      5.052 CV     1
 ASSI {  156}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.44986E-02 ppm1      8.050 ppm2      7.211 CV     1
 ASSI {  157}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.24576E-02 ppm1      8.049 ppm2      7.512 CV     1
 ASSI {  160}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.100     2.100     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.29369E-03 ppm1      7.525 ppm2      2.511 CV     1
 ASSI {  162}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.500     2.500     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.35340E-03 ppm1      7.531 ppm2      2.329 CV     1
 ASSI {  164}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.800     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.31382E-03 ppm1      7.527 ppm2      3.455 CV     1
 ASSI {  167}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.17355E-02 ppm1      7.528 ppm2      4.691 CV     1
 ASSI {  170}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.600     1.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.49085E-03 ppm1      7.524 ppm2      8.483 CV     1
 ASSI {  171}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.800     2.900     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.74940E-03 ppm1      7.719 ppm2      0.876 CV     1
 ASSI {  172}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.10570E-02 ppm1      7.719 ppm2      2.465 CV     1
 ASSI {  173}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.000     1.100     1.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.27902E-02 ppm1      7.720 ppm2      1.830 CV     1
 ASSI {  174}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.600     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1      7.720 ppm2      1.546 CV     1
 ASSI {  175}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.900     1.000     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.23054E-02 ppm1      7.720 ppm2      1.063 CV     1
 ASSI {  178}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.89008E-03 ppm1      7.718 ppm2      4.814 CV     1
 ASSI {  179}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.22426E-02 ppm1      7.720 ppm2      4.669 CV     1
 ASSI {  181}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.100     3.200     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.38241E-03 ppm1      7.719 ppm2      3.881 CV     1
 ASSI {  182}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.600     2.700     1.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.46483E-03 ppm1      8.044 ppm2      1.642 CV     1
 ASSI {  183}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.42039E-02 ppm1      8.043 ppm2      4.386 CV     1
 ASSI {  187}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.18488E-02 ppm1      8.043 ppm2      2.514 CV     1
 ASSI {  188}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.28772E-02 ppm1      8.041 ppm2      2.359 CV     1
 ASSI {  189}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.36379E-02 ppm1      8.043 ppm2      8.977 CV     1
 ASSI {  190}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.300     2.300     1.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.38331E-03 ppm1      7.721 ppm2      9.557 CV     1
 ASSI {  192}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.38834E-02 ppm1      7.718 ppm2      7.560 CV     1
 ASSI {  193}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.19361E-02 ppm1      8.128 ppm2      4.684 CV     1
 ASSI {  196}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.30816E-02 ppm1      8.129 ppm2      2.789 CV     1
 ASSI {  197}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.800     1.000     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      8.131 ppm2      1.901 CV     1
 ASSI {  198}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.19444E-02 ppm1      8.129 ppm2      1.620 CV     1
 ASSI {  200}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.27813E-02 ppm1      7.823 ppm2      4.568 CV     1
 ASSI {  202}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.11782E-02 ppm1      7.824 ppm2      4.220 CV     1
 ASSI {  203}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.600     0.900     0.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.29392E-02 ppm1      7.822 ppm2      4.149 CV     1
 ASSI {  204}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   204 spectrum    1 weight  0.10000E+01 volume  0.18329E-02 ppm1      7.823 ppm2      4.055 CV     1
 ASSI {  205}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.13980E-02 ppm1      7.823 ppm2      2.260 CV     1
 ASSI {  206}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.86665E-03 ppm1      7.823 ppm2      2.147 CV     1
 ASSI {  207}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.27928E-02 ppm1      8.131 ppm2      7.442 CV     1
 ASSI {  210}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.700     2.700     1.300 peak   210 spectrum    1 weight  0.10000E+01 volume  0.50038E-03 ppm1      8.129 ppm2      1.373 CV     1
 ASSI {  211}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.900     3.000     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.49964E-03 ppm1      7.822 ppm2      1.548 CV     1
 ASSI {  212}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.100     2.100     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.34737E-03 ppm1      7.823 ppm2      1.127 CV     1
 ASSI {  214}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      5.100     3.300     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.32202E-03 ppm1      7.821 ppm2      2.403 CV     1
 ASSI {  216}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.600     2.600     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.43921E-03 ppm1      8.247 ppm2      2.413 CV     1
 OR {  216}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  217}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.800     1.800     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      8.249 ppm2      2.238 CV     1
 ASSI {  218}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.66512E-03 ppm1      8.251 ppm2      2.078 CV     1
 ASSI {  229}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.26498E-02 ppm1      8.927 ppm2      7.780 CV     1
 ASSI {  230}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.000     2.000     2.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.46609E-03 ppm1      8.924 ppm2      8.172 CV     1
 ASSI {  234}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.23445E-03 ppm1      8.927 ppm2      1.876 CV     1
 ASSI {  235}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.26507E-02 ppm1      9.037 ppm2      3.039 CV     1
 ASSI {  237}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.600     1.600     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.14616E-02 ppm1      9.036 ppm2      1.586 CV     1
 OR {  237}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  241}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.41209E-03 ppm1      9.036 ppm2      8.073 CV     1
 ASSI {  243}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.74225E-03 ppm1      9.039 ppm2      4.774 CV     1
 ASSI {  246}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.600     4.000     0.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.27303E-03 ppm1      7.302 ppm2      0.360 CV     1
 ASSI {  247}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.800     1.200 peak   247 spectrum    1 weight  0.10000E+01 volume  0.53383E-03 ppm1      7.303 ppm2      0.229 CV     1
 ASSI {  248}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.300     1.400     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.24058E-02 ppm1      7.303 ppm2      2.410 CV     1
 ASSI {  249}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.50838E-03 ppm1      7.303 ppm2      2.082 CV     1
 ASSI {  250}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.69718E-03 ppm1      7.301 ppm2      1.860 CV     1
 ASSI {  251}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.100     2.100     1.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.51056E-03 ppm1      7.305 ppm2      1.758 CV     1
 OR {  251}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  255}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.54123E-03 ppm1      7.304 ppm2      3.988 CV     1
 ASSI {  256}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.22395E-02 ppm1      7.303 ppm2      4.625 CV     1
 ASSI {  258}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.97696E-03 ppm1      7.304 ppm2      8.031 CV     1
 ASSI {  259}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.400     1.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.56140E-03 ppm1      7.303 ppm2      9.096 CV     1
 ASSI {  260}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.47756E-02 ppm1      8.843 ppm2      4.854 CV     1
 ASSI {  262}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.900     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.27539E-02 ppm1      8.841 ppm2      4.321 CV     1
 ASSI {  263}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.28662E-02 ppm1      8.842 ppm2      3.872 CV     1
 ASSI {  265}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.900     1.900     1.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.45875E-03 ppm1      8.840 ppm2      0.883 CV     1
 ASSI {  267}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.27035E-02 ppm1      8.235 ppm2      3.983 CV     1
 ASSI {  268}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.700     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.65920E-03 ppm1      8.234 ppm2      1.455 CV     1
 ASSI {  269}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.54915E-03 ppm1      8.237 ppm2      1.240 CV     1
 ASSI {  271}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.34150E-02 ppm1      8.235 ppm2      4.361 CV     1
 ASSI {  274}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.94250E-03 ppm1      7.979 ppm2      3.525 CV     1
 ASSI {  276}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.500     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.31622E-02 ppm1      7.979 ppm2      1.925 CV     1
 ASSI {  278}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.800     2.900     1.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.42650E-03 ppm1      7.975 ppm2      1.408 CV     1
 ASSI {  280}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.400     1.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      7.979 ppm2      4.551 CV     1
 ASSI {  281}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.400     2.400     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.73194E-03 ppm1      8.234 ppm2      4.713 CV     1
 ASSI {  282}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.20678E-02 ppm1      8.841 ppm2      8.250 CV     1
 ASSI {  283}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.700     1.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.27538E-02 ppm1      8.236 ppm2      8.561 CV     1
 ASSI {  284}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.38814E-02 ppm1      8.235 ppm2      8.466 CV     1
 ASSI {  285}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.29556E-02 ppm1      7.979 ppm2      8.841 CV     1
 ASSI {  286}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.46763E-02 ppm1      7.979 ppm2      7.708 CV     1
 ASSI {  289}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.500     1.500     1.500 peak   289 spectrum    1 weight  0.10000E+01 volume  0.27431E-03 ppm1      8.235 ppm2      0.808 CV     1
 ASSI {  290}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      5.000     3.100     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.31505E-03 ppm1      7.982 ppm2      3.316 CV     1
 ASSI {  291}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      4.200     2.200     1.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.40109E-03 ppm1      7.980 ppm2      3.205 CV     1
 OR {  291}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  292}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.300     2.400     1.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.30413E-03 ppm1      7.979 ppm2      4.216 CV     1
 ASSI {  304}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.30345E-02 ppm1      8.138 ppm2      8.491 CV     1
 ASSI {  311}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.800     1.800     1.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      8.462 ppm2      2.185 CV     1
 ASSI {  312}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.300     1.400     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.28183E-02 ppm1      8.463 ppm2      1.946 CV     1
 ASSI {  313}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.28739E-02 ppm1      8.462 ppm2      1.857 CV     1
 ASSI {  314}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.600     1.600     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.14555E-02 ppm1      8.463 ppm2      1.772 CV     1
 OR {  314}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  315}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.900     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      8.463 ppm2      1.626 CV     1
 ASSI {  316}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.19186E-02 ppm1      8.463 ppm2      1.411 CV     1
 ASSI {  319}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.600     1.700     1.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.69570E-03 ppm1      8.463 ppm2      3.095 CV     1
 ASSI {  320}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.51045E-03 ppm1      8.463 ppm2      2.991 CV     1
 ASSI {  324}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak   324 spectrum    1 weight  0.10000E+01 volume  0.83071E-03 ppm1      8.463 ppm2      4.737 CV     1
 ASSI {  325}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   325 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      8.486 ppm2      4.843 CV     1
 ASSI {  327}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.33477E-02 ppm1      8.626 ppm2      7.405 CV     1
 ASSI {  328}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.21435E-02 ppm1      8.627 ppm2      8.820 CV     1
 ASSI {  329}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      4.600     2.600     1.400 peak   329 spectrum    1 weight  0.10000E+01 volume  0.37930E-03 ppm1      8.464 ppm2      3.454 CV     1
 ASSI {  330}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.700     2.800     1.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.47592E-03 ppm1      8.462 ppm2      3.352 CV     1
 ASSI {  332}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.800     2.800     1.200 peak   332 spectrum    1 weight  0.10000E+01 volume  0.46769E-03 ppm1      8.626 ppm2      1.037 CV     1
 ASSI {  333}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.700     1.700     1.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.26706E-02 ppm1      7.841 ppm2      2.645 CV     1
 ASSI {  334}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.600     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.34597E-02 ppm1      7.840 ppm2      2.481 CV     1
 ASSI {  335}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.20963E-02 ppm1      7.840 ppm2      2.277 CV     1
 ASSI {  336}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.20011E-02 ppm1      7.483 ppm2      2.081 CV     1
 ASSI {  337}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.900     0.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.36187E-02 ppm1      7.483 ppm2      1.862 CV     1
 ASSI {  338}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.200     1.300     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.28235E-02 ppm1      7.483 ppm2      1.761 CV     1
 OR {  338}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  339}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.200     1.300     1.300 peak   339 spectrum    1 weight  0.10000E+01 volume  0.47574E-03 ppm1      7.479 ppm2      1.392 CV     1
 ASSI {  341}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.600     2.600     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.69866E-03 ppm1      7.482 ppm2      1.135 CV     1
 ASSI {  343}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
      4.900     3.000     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.35839E-03 ppm1      7.482 ppm2      3.266 CV     1
 OR {  343}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  344}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.700     1.700     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      7.841 ppm2      1.608 CV     1
 ASSI {  345}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.900     3.000     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.47254E-03 ppm1      7.838 ppm2      1.118 CV     1
 ASSI {  346}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.31081E-02 ppm1      7.846 ppm2      4.242 CV     1
 ASSI {  348}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.28041E-02 ppm1      7.484 ppm2      4.628 CV     1
 ASSI {  349}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.300     1.400     1.400 peak   349 spectrum    1 weight  0.10000E+01 volume  0.12849E-02 ppm1      7.484 ppm2      4.117 CV     1
 ASSI {  350}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.500     1.500     1.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.74026E-03 ppm1      7.482 ppm2      3.988 CV     1
 ASSI {  351}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.000     1.100     1.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.15469E-02 ppm1      7.482 ppm2      3.884 CV     1
 ASSI {  352}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.100     0.500     0.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.63199E-02 ppm1      7.483 ppm2      7.303 CV     1
 ASSI {  355}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.80116E-03 ppm1      7.840 ppm2      7.487 CV     1
 ASSI {  356}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.38618E-02 ppm1      7.840 ppm2      7.729 CV     1
 ASSI {  359}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.000     2.000     2.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      8.484 ppm2      0.948 CV     1
 OR {  359}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  362}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.32592E-02 ppm1      7.753 ppm2      7.955 CV     1
 ASSI {  363}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.50057E-02 ppm1      7.752 ppm2      7.843 CV     1
 ASSI {  367}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.700     1.700     1.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      7.752 ppm2      2.545 CV     1
 ASSI {  370}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.45863E-02 ppm1      7.752 ppm2      2.130 CV     1
 ASSI {  371}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      7.752 ppm2      1.609 CV     1
 ASSI {  376}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.800     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.38584E-02 ppm1      9.558 ppm2      2.260 CV     1
 ASSI {  377}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.36563E-02 ppm1      9.557 ppm2      2.147 CV     1
 ASSI {  378}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.800     2.900     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.49625E-03 ppm1      9.558 ppm2      1.952 CV     1
 ASSI {  379}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.89146E-03 ppm1      9.557 ppm2      1.861 CV     1
 ASSI {  383}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.19648E-02 ppm1      9.557 ppm2      8.472 CV     1
 ASSI {  385}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.25789E-02 ppm1      9.558 ppm2      7.560 CV     1
 ASSI {  386}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.500     2.600     1.500 peak   386 spectrum    1 weight  0.10000E+01 volume  0.52245E-03 ppm1      9.557 ppm2      7.117 CV     1
 ASSI {  388}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      5.300     3.500     0.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.37378E-03 ppm1      9.557 ppm2      1.628 CV     1
 ASSI {  390}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.30003E-02 ppm1      8.999 ppm2      1.866 CV     1
 ASSI {  392}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   392 spectrum    1 weight  0.10000E+01 volume  0.23654E-02 ppm1      8.882 ppm2      0.876 CV     1
 ASSI {  393}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.41803E-02 ppm1      8.882 ppm2      1.941 CV     1
 ASSI {  394}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.17995E-02 ppm1      8.700 ppm2      1.550 CV     1
 ASSI {  395}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.700     0.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      8.697 ppm2      2.196 CV     1
 ASSI {  396}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.000     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.46862E-02 ppm1      8.882 ppm2      3.094 CV     1
 ASSI {  397}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.28786E-02 ppm1      8.882 ppm2      2.773 CV     1
 ASSI {  398}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.35778E-02 ppm1      8.698 ppm2      2.782 CV     1
 ASSI {  399}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.66099E-03 ppm1      8.882 ppm2      3.898 CV     1
 ASSI {  400}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.600     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.90059E-03 ppm1      8.881 ppm2      3.747 CV     1
 ASSI {  403}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.28775E-02 ppm1      8.882 ppm2      4.910 CV     1
 ASSI {  404}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.12050E-02 ppm1      8.999 ppm2      4.627 CV     1
 ASSI {  405}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   405 spectrum    1 weight  0.10000E+01 volume  0.11058E-02 ppm1      8.882 ppm2      4.489 CV     1
 ASSI {  406}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.90381E-03 ppm1      8.697 ppm2      3.894 CV     1
 ASSI {  408}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      8.671 ppm2      4.285 CV     1
 ASSI {  409}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.500     1.500     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.14525E-02 ppm1      8.670 ppm2      4.186 CV     1
 ASSI {  410}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.600     1.600     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.11690E-02 ppm1      8.676 ppm2      1.651 CV     1
 ASSI {  412}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.43550E-02 ppm1      8.881 ppm2      8.276 CV     1
 ASSI {  413}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.19448E-02 ppm1      8.997 ppm2      7.842 CV     1
 ASSI {  414}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      3.700     1.700     1.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.99176E-03 ppm1      8.881 ppm2      7.678 CV     1
 ASSI {  416}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.600     1.600     1.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.62367E-03 ppm1      8.676 ppm2      4.385 CV     1
 ASSI {  421}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.900     1.900     1.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.52602E-03 ppm1      8.695 ppm2      3.610 CV     1
 ASSI {  423}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.900     3.000     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.39282E-03 ppm1      8.696 ppm2      0.794 CV     1
 ASSI {  425}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.500     2.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.82025E-03 ppm1      8.995 ppm2      1.030 CV     1
 ASSI {  426}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.300     2.300     1.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.71438E-03 ppm1      8.882 ppm2      1.721 CV     1
 ASSI {  431}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      5.400     3.600     0.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.36058E-03 ppm1      8.880 ppm2      1.285 CV     1
 ASSI {  432}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.500     2.600     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.36425E-03 ppm1      8.995 ppm2      0.777 CV     1
 ASSI {  433}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      8.999 ppm2      2.019 CV     1
 ASSI {  435}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.22300E-02 ppm1      7.563 ppm2      4.814 CV     1
 ASSI {  437}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.39732E-02 ppm1      7.562 ppm2      3.095 CV     1
 ASSI {  438}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      7.563 ppm2      2.998 CV     1
 ASSI {  440}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.98038E-03 ppm1      7.561 ppm2      2.258 CV     1
 ASSI {  442}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.700     2.800     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.54986E-03 ppm1      7.561 ppm2      1.945 CV     1
 ASSI {  443}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.17940E-02 ppm1      7.563 ppm2      1.858 CV     1
 ASSI {  444}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.100     2.100     1.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.59223E-03 ppm1      7.561 ppm2      1.548 CV     1
 ASSI {  453}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.000     2.000     2.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.12537E-02 ppm1      8.402 ppm2      0.777 CV     1
 ASSI {  454}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.600     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.36849E-02 ppm1      8.402 ppm2      1.674 CV     1
 ASSI {  458}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.21448E-02 ppm1      8.324 ppm2      2.348 CV     1
 ASSI {  459}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     1.900     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.15749E-02 ppm1      8.323 ppm2      2.206 CV     1
 ASSI {  463}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.400     2.400     1.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.26541E-03 ppm1      8.401 ppm2      4.034 CV     1
 ASSI {  465}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   465 spectrum    1 weight  0.10000E+01 volume  0.18193E-02 ppm1      8.323 ppm2      3.965 CV     1
 ASSI {  466}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.13964E-02 ppm1      8.323 ppm2      3.889 CV     1
 ASSI {  468}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.37754E-02 ppm1      8.323 ppm2      4.418 CV     1
 ASSI {  469}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.800     1.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.81438E-03 ppm1      8.323 ppm2      4.313 CV     1
 ASSI {  470}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   470 spectrum    1 weight  0.10000E+01 volume  0.14433E-02 ppm1      8.322 ppm2      4.234 CV     1
 ASSI {  471}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.44224E-02 ppm1      8.402 ppm2      7.708 CV     1
 ASSI {  472}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.44346E-02 ppm1      8.323 ppm2      8.512 CV     1
 ASSI {  473}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak   473 spectrum    1 weight  0.10000E+01 volume  0.40323E-02 ppm1      8.323 ppm2      8.763 CV     1
 ASSI {  475}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.53536E-02 ppm1      7.407 ppm2      8.223 CV     1
 ASSI {  477}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.200     2.200     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.80927E-03 ppm1      7.509 ppm2      4.847 CV     1
 ASSI {  478}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.34756E-03 ppm1      7.510 ppm2      4.741 CV     1
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.500     1.600     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.77502E-03 ppm1      7.407 ppm2      2.841 CV     1
 ASSI {  490}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.15287E-02 ppm1      7.407 ppm2      2.067 CV     1
 ASSI {  491}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.100     2.100     1.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.88548E-03 ppm1      7.406 ppm2      1.394 CV     1
 ASSI {  496}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.300     1.400     1.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.13918E-02 ppm1      7.511 ppm2      0.787 CV     1
 ASSI {  499}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.500     2.500     1.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.45807E-03 ppm1      8.323 ppm2      2.613 CV     1
 ASSI {  500}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.300     1.400     1.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.31470E-02 ppm1      8.977 ppm2      2.515 CV     1
 ASSI {  501}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.52046E-02 ppm1      8.977 ppm2      2.350 CV     1
 ASSI {  502}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.27832E-02 ppm1      8.977 ppm2      2.217 CV     1
 ASSI {  503}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.100     2.100     1.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.82382E-03 ppm1      8.978 ppm2      2.042 CV     1
 ASSI {  505}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.200     2.200     1.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.43135E-03 ppm1      8.976 ppm2      1.532 CV     1
 ASSI {  506}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.14456E-02 ppm1      8.977 ppm2      1.455 CV     1
 ASSI {  512}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.71611E-03 ppm1      8.976 ppm2      3.956 CV     1
 ASSI {  513}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.42477E-02 ppm1      8.976 ppm2      2.764 CV     1
 ASSI {  515}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.41303E-02 ppm1      8.977 ppm2      8.414 CV     1
 ASSI {  516}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.300     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.58738E-02 ppm1      8.237 ppm2      8.501 CV     1
 ASSI {  522}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.500     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.23424E-02 ppm1      8.237 ppm2      2.761 CV     1
 ASSI {  527}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.100     2.100     1.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.94781E-03 ppm1      8.237 ppm2      1.349 CV     1
 ASSI {  528}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.100     3.200     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.40822E-03 ppm1      8.239 ppm2      0.360 CV     1
 ASSI {  529}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.200     3.400     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.34660E-03 ppm1      8.239 ppm2      0.228 CV     1
 ASSI {  532}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.800     1.800     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.72250E-03 ppm1      8.977 ppm2      8.232 CV     1
 ASSI {  535}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300     0.600     0.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.74230E-02 ppm1      8.841 ppm2      2.049 CV     1
 OR {  535}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  536}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.600     1.600     1.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.98528E-03 ppm1      8.839 ppm2      1.895 CV     1
 ASSI {  541}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.13295E-02 ppm1      8.840 ppm2      4.628 CV     1
 ASSI {  542}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.67339E-03 ppm1      8.841 ppm2      4.213 CV     1
 ASSI {  543}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.51357E-03 ppm1      8.841 ppm2      3.873 CV     1
 ASSI {  545}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.700     0.900     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.43950E-02 ppm1      8.115 ppm2      2.202 CV     1
 ASSI {  547}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.800     1.800     1.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1      8.116 ppm2      1.743 CV     1
 ASSI {  552}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.100     2.100     1.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.16779E-02 ppm1      8.456 ppm2      1.035 CV     1
 ASSI {  555}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.18290E-02 ppm1      8.455 ppm2      1.986 CV     1
 ASSI {  556}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.40826E-02 ppm1      8.841 ppm2      8.073 CV     1
 ASSI {  558}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.51709E-03 ppm1      8.839 ppm2      7.887 CV     1
 ASSI {  560}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.73015E-03 ppm1      8.843 ppm2      7.222 CV     1
 ASSI {  567}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.600     1.600     1.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      7.709 ppm2      1.918 CV     1
 ASSI {  571}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.86129E-03 ppm1      7.889 ppm2      4.628 CV     1
 ASSI {  572}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.100     1.100 peak   572 spectrum    1 weight  0.10000E+01 volume  0.24219E-02 ppm1      7.890 ppm2      4.553 CV     1
 ASSI {  573}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak   573 spectrum    1 weight  0.10000E+01 volume  0.35445E-02 ppm1      7.889 ppm2      3.039 CV     1
 ASSI {  579}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17531E-02 ppm1      8.277 ppm2      0.798 CV     1
 ASSI {  580}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.400     1.400     1.400 peak   580 spectrum    1 weight  0.10000E+01 volume  0.27080E-02 ppm1      8.277 ppm2      1.292 CV     1
 ASSI {  584}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.46172E-02 ppm1      8.278 ppm2      1.731 CV     1
 ASSI {  587}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.000     1.100     1.100 peak   587 spectrum    1 weight  0.10000E+01 volume  0.21401E-02 ppm1      8.220 ppm2      2.384 CV     1
 ASSI {  591}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.700     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.30843E-02 ppm1      8.221 ppm2      2.624 CV     1
 ASSI {  593}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   593 spectrum    1 weight  0.10000E+01 volume  0.11162E-02 ppm1      8.275 ppm2      3.895 CV     1
 ASSI {  598}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.300     1.300     1.300 peak   598 spectrum    1 weight  0.10000E+01 volume  0.16670E-02 ppm1      8.250 ppm2      4.853 CV     1
 ASSI {  599}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      8.252 ppm2      4.625 CV     1
 ASSI {  604}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.41254E-02 ppm1      8.280 ppm2      7.589 CV     1
 ASSI {  609}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.38605E-02 ppm1      8.116 ppm2      8.412 CV     1
 ASSI {  611}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.35535E-02 ppm1      7.889 ppm2      8.070 CV     1
 ASSI {  612}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.24987E-02 ppm1      7.889 ppm2      8.250 CV     1
 ASSI {  615}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.400     1.400 peak   615 spectrum    1 weight  0.10000E+01 volume  0.11048E-02 ppm1      7.888 ppm2      9.034 CV     1
 ASSI {  621}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23359E-03 ppm1      8.454 ppm2      3.522 CV     1
 ASSI {  622}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.14125E-02 ppm1      8.455 ppm2      1.446 CV     1
 ASSI {  624}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak   624 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      8.114 ppm2      8.227 CV     1
 ASSI {  625}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.40402E-02 ppm1      7.714 ppm2      8.728 CV     1
 ASSI {  640}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.700     1.700     1.700 peak   640 spectrum    1 weight  0.10000E+01 volume  0.14270E-02 ppm1      8.416 ppm2      1.042 CV     1
 ASSI {  642}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.900     1.900     1.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.87446E-03 ppm1      8.415 ppm2      1.655 CV     1
 ASSI {  646}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.100     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.22424E-02 ppm1      8.480 ppm2      2.074 CV     1
 ASSI {  649}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.33176E-02 ppm1      8.514 ppm2      2.209 CV     1
 ASSI {  653}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.700     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.45581E-02 ppm1      8.482 ppm2      4.066 CV     1
 OR {  653}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  668}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.99717E-03 ppm1      8.082 ppm2      4.385 CV     1
 ASSI {  669}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      8.083 ppm2      4.304 CV     1
 ASSI {  676}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 31   and name HD2%)
      2.900     1.100     1.100 peak   676 spectrum    1 weight  0.10000E+01 volume  0.83209E-03 ppm1      6.890 ppm2      0.775 CV     1
 OR {  676}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
 OR {  676}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  678}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.300     2.300     1.700 peak   678 spectrum    1 weight  0.10000E+01 volume  0.74261E-03 ppm1      6.893 ppm2      1.516 CV     1
 ASSI {  686}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.800     2.900     1.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.68365E-03 ppm1      8.735 ppm2      0.881 CV     1
 ASSI {  687}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      8.732 ppm2      0.794 CV     1
 ASSI {  689}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak   689 spectrum    1 weight  0.10000E+01 volume  0.41142E-02 ppm1      8.734 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.39520E-02 ppm1      8.734 ppm2      2.197 CV     1
 ASSI {  691}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.25551E-02 ppm1      8.734 ppm2      2.425 CV     1
 ASSI {  693}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.100     1.200     1.200 peak   693 spectrum    1 weight  0.10000E+01 volume  0.45757E-02 ppm1      8.467 ppm2      1.630 CV     1
 ASSI {  696}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.82520E-03 ppm1      8.467 ppm2      0.359 CV     1
 ASSI {  697}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.79569E-03 ppm1      8.466 ppm2      0.228 CV     1
 ASSI {  701}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      2.700     2.700     3.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.12299E-02 ppm1      7.963 ppm2      0.984 CV     1
 OR {  701}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  705}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.800     1.800     1.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.78028E-03 ppm1      8.070 ppm2      0.638 CV     1
 ASSI {  708}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.600     1.600     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.17625E-02 ppm1      7.963 ppm2      2.013 CV     1
 ASSI {  709}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.37235E-02 ppm1      8.072 ppm2      2.337 CV     1
 ASSI {  711}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.19756E-02 ppm1      8.071 ppm2      2.705 CV     1
 ASSI {  714}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      8.071 ppm2      4.216 CV     1
 ASSI {  717}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.92203E-03 ppm1      7.957 ppm2      4.207 CV     1
 ASSI {  719}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.43499E-02 ppm1      7.962 ppm2      8.279 CV     1
 ASSI {  723}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.29823E-02 ppm1      8.467 ppm2      8.240 CV     1
 ASSI {  724}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.44337E-02 ppm1      8.467 ppm2      8.161 CV     1
 ASSI {  729}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.500     1.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.81703E-03 ppm1      8.733 ppm2      3.610 CV     1
 ASSI {  732}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.700     2.800     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.47394E-03 ppm1      8.071 ppm2      2.057 CV     1
 OR {  732}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  735}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      5.300     3.500     0.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.44707E-03 ppm1      8.465 ppm2      2.784 CV     1
 ASSI {  736}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.200     1.300     1.300 peak   736 spectrum    1 weight  0.10000E+01 volume  0.98140E-03 ppm1      8.068 ppm2      1.827 CV     1
 ASSI {  740}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.200     1.300     1.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.20466E-02 ppm1      8.067 ppm2      6.977 CV     1
 ASSI {  742}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.20521E-02 ppm1      8.495 ppm2      4.732 CV     1
 ASSI {  744}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.300     1.400     1.400 peak   744 spectrum    1 weight  0.10000E+01 volume  0.21107E-02 ppm1      8.495 ppm2      4.372 CV     1
 ASSI {  745}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.48715E-02 ppm1      8.495 ppm2      2.840 CV     1
 OR {  745}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  746}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.900     1.900     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.76650E-03 ppm1      8.494 ppm2      1.250 CV     1
 ASSI {  747}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.32684E-02 ppm1      8.223 ppm2      0.994 CV     1
 ASSI {  748}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.200     0.600     0.600 peak   748 spectrum    1 weight  0.10000E+01 volume  0.84204E-02 ppm1      8.223 ppm2      1.393 CV     1
 ASSI {  749}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.500     1.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.70473E-03 ppm1      8.222 ppm2      4.451 CV     1
 ASSI {  752}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.36413E-02 ppm1      8.222 ppm2      2.211 CV     1
 ASSI {  753}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.81060E-02 ppm1      8.042 ppm2      4.850 CV     1
 ASSI {  754}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.14373E-02 ppm1      8.041 ppm2      4.750 CV     1
 ASSI {  756}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.19654E-02 ppm1      8.037 ppm2      3.018 CV     1
 ASSI {  757}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.100     2.100     1.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.74000E-03 ppm1      8.040 ppm2      2.898 CV     1
 ASSI {  758}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak   758 spectrum    1 weight  0.10000E+01 volume  0.72663E-03 ppm1      8.222 ppm2      7.496 CV     1
 ASSI {  761}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.56043E-02 ppm1      8.041 ppm2      7.510 CV     1
 ASSI {  765}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.700     2.800     1.300 peak   765 spectrum    1 weight  0.10000E+01 volume  0.46263E-03 ppm1      8.044 ppm2      2.666 CV     1
 ASSI {  766}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.200     2.200     1.800 peak   766 spectrum    1 weight  0.10000E+01 volume  0.56686E-03 ppm1      8.044 ppm2      1.210 CV     1
 ASSI {  768}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.800     4.200     0.200 peak   768 spectrum    1 weight  0.10000E+01 volume  0.35533E-03 ppm1      8.036 ppm2      1.632 CV     1
 ASSI {  771}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.600     0.600 peak   771 spectrum    1 weight  0.10000E+01 volume  0.88798E-02 ppm1      7.213 ppm2      1.781 CV     1
 OR {  771}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  772}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.24804E-02 ppm1      7.212 ppm2      1.413 CV     1
 ASSI {  774}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.300     1.300     1.300 peak   774 spectrum    1 weight  0.10000E+01 volume  0.20980E-02 ppm1      7.213 ppm2      0.961 CV     1
 ASSI {  775}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.66139E-03 ppm1      7.213 ppm2      2.359 CV     1
 ASSI {  777}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.800     1.800     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.93939E-03 ppm1      7.213 ppm2      4.031 CV     1
 ASSI {  780}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak   780 spectrum    1 weight  0.10000E+01 volume  0.13757E-02 ppm1      7.213 ppm2      5.051 CV     1
 ASSI {  781}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.70968E-03 ppm1      7.211 ppm2      4.739 CV     1
 ASSI {  783}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.600     1.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.45666E-03 ppm1      7.213 ppm2      8.461 CV     1
 ASSI {  784}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.900     1.900     1.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.43549E-03 ppm1      7.213 ppm2      4.635 CV     1
 ASSI {  787}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      4.100     2.100     1.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.63597E-03 ppm1      8.014 ppm2      1.063 CV     1
 ASSI {  789}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.400     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.50812E-02 ppm1      8.014 ppm2      2.038 CV     1
 ASSI {  792}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   792 spectrum    1 weight  0.10000E+01 volume  0.17489E-02 ppm1      8.015 ppm2      2.780 CV     1
 ASSI {  793}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.500     1.500 peak   793 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      8.014 ppm2      4.485 CV     1
 ASSI {  795}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   795 spectrum    1 weight  0.10000E+01 volume  0.39198E-02 ppm1      8.012 ppm2      8.277 CV     1
 ASSI {  796}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.35083E-02 ppm1      8.012 ppm2      8.701 CV     1
 ASSI {  797}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak   797 spectrum    1 weight  0.10000E+01 volume  0.90320E-03 ppm1      8.823 ppm2      2.064 CV     1
 ASSI {  804}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.33455E-02 ppm1      8.610 ppm2      2.884 CV     1
 ASSI {  805}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.31666E-02 ppm1      8.610 ppm2      2.762 CV     1
 ASSI {  807}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.100     1.200     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.33701E-02 ppm1      8.670 ppm2      2.896 CV     1
 ASSI {  808}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.40697E-02 ppm1      8.670 ppm2      2.672 CV     1
 ASSI {  810}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.800     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.60560E-02 ppm1      8.670 ppm2      3.875 CV     1
 ASSI {  811}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.18776E-02 ppm1      8.610 ppm2      4.715 CV     1
 ASSI {  819}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.25005E-02 ppm1      8.670 ppm2      4.849 CV     1
 ASSI {  820}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.25557E-02 ppm1      8.463 ppm2      1.579 CV     1
 ASSI {  821}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak   821 spectrum    1 weight  0.10000E+01 volume  0.33900E-02 ppm1      8.464 ppm2      1.457 CV     1
 ASSI {  822}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak   822 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      8.464 ppm2      1.254 CV     1
 ASSI {  825}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.000     1.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.12309E-02 ppm1      8.477 ppm2      2.178 CV     1
 ASSI {  826}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.800     2.900     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.68350E-03 ppm1      8.475 ppm2      1.947 CV     1
 ASSI {  827}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.400     2.400     1.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.52342E-03 ppm1      8.476 ppm2      1.855 CV     1
 ASSI {  828}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.700     2.800     1.300 peak   828 spectrum    1 weight  0.10000E+01 volume  0.61137E-03 ppm1      8.477 ppm2      1.627 CV     1
 ASSI {  831}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.31449E-02 ppm1      8.463 ppm2      4.366 CV     1
 ASSI {  833}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.300     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.92831E-02 ppm1      8.164 ppm2      1.526 CV     1
 ASSI {  834}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.32970E-02 ppm1      8.164 ppm2      1.856 CV     1
 OR {  834}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  836}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.600     0.900     0.900 peak   836 spectrum    1 weight  0.10000E+01 volume  0.42625E-02 ppm1      8.163 ppm2      4.306 CV     1
 ASSI {  837}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.600     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.42574E-02 ppm1      7.977 ppm2      1.527 CV     1
 ASSI {  838}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.82438E-02 ppm1      7.840 ppm2      1.548 CV     1
 ASSI {  843}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak   843 spectrum    1 weight  0.10000E+01 volume  0.19286E-02 ppm1      7.840 ppm2      4.566 CV     1
 ASSI {  844}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.34919E-02 ppm1      7.840 ppm2      4.378 CV     1
 ASSI {  846}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.200     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.13299E-02 ppm1      7.840 ppm2      4.147 CV     1
 ASSI {  848}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.97257E-03 ppm1      7.840 ppm2      3.948 CV     1
 ASSI {  849}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.70187E-02 ppm1      8.463 ppm2      4.715 CV     1
 ASSI {  850}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      8.476 ppm2      4.961 CV     1
 ASSI {  851}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      8.474 ppm2      7.118 CV     1
 ASSI {  853}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.33781E-02 ppm1      8.765 ppm2      8.232 CV     1
 ASSI {  855}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.18759E-02 ppm1      8.608 ppm2      8.464 CV     1
 ASSI {  856}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.10228E-02 ppm1      8.610 ppm2      8.132 CV     1
 ASSI {  857}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.17620E-02 ppm1      8.669 ppm2      8.567 CV     1
 ASSI {  858}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.78094E-03 ppm1      8.670 ppm2      8.041 CV     1
 ASSI {  862}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.53057E-02 ppm1      8.162 ppm2      7.782 CV     1
 ASSI {  864}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.24377E-02 ppm1      7.840 ppm2      8.245 CV     1
 ASSI {  868}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.000     2.000     2.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.75333E-03 ppm1      8.463 ppm2      2.885 CV     1
 ASSI {  869}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.100     2.100     1.900 peak   869 spectrum    1 weight  0.10000E+01 volume  0.86062E-03 ppm1      8.462 ppm2      2.761 CV     1
 ASSI {  870}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.800     2.900     1.200 peak   870 spectrum    1 weight  0.10000E+01 volume  0.37220E-03 ppm1      8.472 ppm2      2.813 CV     1
 ASSI {  871}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.300     2.300     1.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.32940E-03 ppm1      8.476 ppm2      5.270 CV     1
 ASSI {  873}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.35172E-03 ppm1      7.978 ppm2      8.917 CV     1
 ASSI {  875}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      5.200     3.300     0.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.25864E-03 ppm1      8.164 ppm2      4.594 CV     1
 ASSI {  877}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.200     2.200     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.41229E-03 ppm1      7.837 ppm2      2.133 CV     1
 ASSI {  880}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.71714E-02 ppm1      7.780 ppm2      1.871 CV     1
 ASSI {  881}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.800     0.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.24549E-02 ppm1      7.780 ppm2      1.744 CV     1
 ASSI {  887}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      5.100     3.200     0.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.44479E-03 ppm1      7.590 ppm2      2.015 CV     1
 ASSI {  888}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.500     2.500     1.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.39411E-03 ppm1      7.589 ppm2      1.841 CV     1
 ASSI {  889}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      4.700     2.800     1.300 peak   889 spectrum    1 weight  0.10000E+01 volume  0.19257E-03 ppm1      7.778 ppm2      3.477 CV     1
 ASSI {  894}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.97297E-03 ppm1      7.780 ppm2      4.350 CV     1
 ASSI {  896}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.85919E-03 ppm1      7.781 ppm2      4.189 CV     1
 ASSI {  897}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.700     4.100     0.300 peak   897 spectrum    1 weight  0.10000E+01 volume  0.19555E-03 ppm1      7.778 ppm2      4.759 CV     1
 ASSI {  903}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   903 spectrum    1 weight  0.10000E+01 volume  0.42913E-03 ppm1      7.589 ppm2      4.910 CV     1
 ASSI {  904}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      5.200     3.400     0.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.28865E-03 ppm1      7.591 ppm2      4.213 CV     1
 ASSI {  905}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   905 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      7.589 ppm2      3.746 CV     1
 ASSI {  911}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.100     1.200     1.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.51173E-02 ppm1      8.150 ppm2      1.611 CV     1
 ASSI {  915}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.300     2.300     1.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.10724E-02 ppm1      8.149 ppm2      0.885 CV     1
 ASSI {  916}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.900     1.900     1.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.12226E-02 ppm1      8.151 ppm2      4.191 CV     1
 ASSI {  918}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak   918 spectrum    1 weight  0.10000E+01 volume  0.73347E-03 ppm1      8.148 ppm2      9.431 CV     1
 ASSI {  921}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.500     1.500 peak   921 spectrum    1 weight  0.10000E+01 volume  0.24193E-02 ppm1      9.432 ppm2      1.480 CV     1
 ASSI {  926}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      4.000     2.000     2.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.11654E-02 ppm1      9.433 ppm2      0.636 CV     1
 ASSI {  930}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      3.400     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.67283E-03 ppm1      9.431 ppm2      7.678 CV     1
 ASSI {  931}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.000     1.100     1.100 peak   931 spectrum    1 weight  0.10000E+01 volume  0.19956E-02 ppm1      9.433 ppm2      7.333 CV     1
 ASSI {  932}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   932 spectrum    1 weight  0.10000E+01 volume  0.37054E-03 ppm1      9.433 ppm2      4.909 CV     1
 ASSI {  936}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.700     1.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.50819E-03 ppm1      8.146 ppm2      2.320 CV     1
 ASSI {  938}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
      3.000     1.100     1.100 peak   938 spectrum    1 weight  0.10000E+01 volume  0.13150E-02 ppm1      8.145 ppm2      1.479 CV     1
 ASSI {  939}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      8.144 ppm2      4.662 CV     1
 ASSI {  941}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.100     2.100     1.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.37623E-03 ppm1      8.146 ppm2      4.015 CV     1
 ASSI {  943}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   943 spectrum    1 weight  0.10000E+01 volume  0.85899E-02 ppm1      8.145 ppm2      4.843 CV     1
 ASSI {  944}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.100     2.100     1.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.80371E-03 ppm1      8.146 ppm2      8.485 CV     1
 ASSI {  945}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.600     2.600     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.33868E-03 ppm1      8.142 ppm2      2.763 CV     1
 ASSI {  946}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      5.300     3.600     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.30707E-03 ppm1      8.143 ppm2      0.934 CV     1
 ASSI {    9}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      3.100     1.200     1.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      4.120 ppm2      8.111 CV     1
 ASSI {   13}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      2.591 ppm2      8.271 CV     1
 OR {   13}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   14}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
      3.700     1.700     1.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.74092E-03 ppm1      2.591 ppm2      8.109 CV     1
 OR {   14}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   18}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H28B))
      1.900     0.400     0.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.11600E-01 ppm1      3.464 ppm2      3.901 CV     1
 ASSI {   19}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      4.300     2.300     1.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.42180E-03 ppm1      3.904 ppm2      4.117 CV     1
 ASSI {   20}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      3.600     1.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.85470E-03 ppm1      3.461 ppm2      4.115 CV     1
 ASSI {   22}
   (( segid "    " and resid 42   and name H1A ))
   (( segid "    " and resid 42   and name H2B ))
      1.800     0.400     0.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.50163E-01 ppm1      2.837 ppm2      2.966 CV     1
 OR {   22}
   (( segid "    " and resid 42   and name H1B ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   22}
   (( segid "    " and resid 42   and name H1A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   22}
   (( segid "    " and resid 42   and name H1B ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   23}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H36A))
      3.900     1.900     1.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.49915E-03 ppm1      1.074 ppm2      8.112 CV     1
 ASSI {   24}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H36A))
      4.100     2.100     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.75532E-03 ppm1      0.935 ppm2      8.111 CV     1
 ASSI {    3}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      5.000     3.100     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.86410E-03 ppm1      2.312 ppm2      1.075 CV     1
 OR {    3}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    3}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    3}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    3}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    3}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    4}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      5.000     3.100     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.64399E-03 ppm1      2.315 ppm2      0.938 CV     1
 OR {    4}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
 OR {    4}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
 OR {    4}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 OR {    4}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 OR {    4}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {    7}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      4.000     2.000     2.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.10860E-02 ppm1      2.836 ppm2      0.937 CV     1
 OR {    7}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
 OR {    7}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {    8}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      3.900     1.900     1.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.12912E-02 ppm1      2.760 ppm2      0.937 CV     1
 OR {    8}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
 OR {    8}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {    9}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.67844E-03 ppm1      2.589 ppm2      1.076 CV     1
 OR {    9}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   10}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H30%)
      3.000     3.000     3.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.71754E-03 ppm1      2.590 ppm2      0.938 CV     1
 OR {   10}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   12}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      5.300     3.600     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.68125E-03 ppm1      1.854 ppm2      0.938 CV     1
 OR {   12}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
 OR {   12}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   15}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.900     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.53286E-02 ppm1      4.119 ppm2      1.075 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.34934E-02 ppm1      4.118 ppm2      0.938 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.41722E-02 ppm1      3.907 ppm2      1.075 CV     1
 ASSI {   18}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.90090E-02 ppm1      3.908 ppm2      0.938 CV     1
 ASSI {   19}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      3.000     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.53317E-02 ppm1      3.464 ppm2      1.076 CV     1
 ASSI {   20}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.600     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.96792E-02 ppm1      3.464 ppm2      0.938 CV     1
 ASSI {   47}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      2.800     2.800     3.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      0.800 ppm2      2.766 CV     1
 OR {   47}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
 OR {   47}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {   50}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      2.900     2.900     3.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.78794E-03 ppm1      0.801 ppm2      2.317 CV     1
 OR {   50}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {   52}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.56390E-02 ppm1      0.799 ppm2      1.064 CV     1
 OR {   52}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 OR {   52}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {   53}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.400     2.400     3.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.29706E-02 ppm1      0.800 ppm2      0.993 CV     1
 OR {   53}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {   53}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD1%)
 OR {   53}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD2%)
 OR {   53}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   58}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      2.900     2.900     3.100 peak    58 spectrum    1 weight  0.10000E+01 volume  0.82357E-03 ppm1      0.801 ppm2      4.301 CV     1
 OR {   58}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {   58}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   59}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.100     3.100     2.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.60126E-03 ppm1      0.799 ppm2      4.092 CV     1
 OR {   59}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 OR {   59}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
 OR {   59}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {   63}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.22228E-03 ppm1      0.798 ppm2      8.410 CV     1
 OR {   63}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI {   74}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      3.200     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.14233E-02 ppm1      0.862 ppm2      2.189 CV     1
 OR {   74}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {   74}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 ASSI {   76}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.600     1.600     1.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.68202E-03 ppm1      0.873 ppm2      3.293 CV     1
 OR {   76}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 OR {   76}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {   77}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.12397E-02 ppm1      0.874 ppm2      3.015 CV     1
 OR {   77}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {   79}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.11331E-02 ppm1      0.854 ppm2      2.771 CV     1
 OR {   79}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {   80}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.400     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.17342E-02 ppm1      0.845 ppm2      3.969 CV     1
 OR {   80}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {   83}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.20225E-02 ppm1      0.851 ppm2      4.665 CV     1
 OR {   83}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI {   84}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.14225E-02 ppm1      0.872 ppm2      7.717 CV     1
 OR {   84}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {   86}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1      0.874 ppm2      7.213 CV     1
 OR {   86}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {   90}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.66058E-03 ppm1      0.868 ppm2      8.471 CV     1
 OR {   90}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI {   98}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      2.900     1.100     1.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.31501E-02 ppm1      1.029 ppm2      1.509 CV     1
 OR {   98}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  102}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.300     1.300     1.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.22643E-02 ppm1      0.873 ppm2      1.605 CV     1
 OR {  102}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  102}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  106}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.35391E-02 ppm1      1.528 ppm2      1.024 CV     1
 OR {  106}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  111}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.600     1.700     1.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.79130E-03 ppm1      0.875 ppm2      2.781 CV     1
 OR {  111}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  113}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.400     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.28092E-02 ppm1      1.028 ppm2      4.006 CV     1
 OR {  113}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  114}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      5.100     3.200     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.42395E-03 ppm1      1.032 ppm2      3.749 CV     1
 OR {  114}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  119}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.49467E-02 ppm1      1.529 ppm2      4.266 CV     1
 OR {  119}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  125}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.700     1.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.21390E-02 ppm1      0.872 ppm2      8.277 CV     1
 OR {  125}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  132}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      4.400     2.400     1.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.72178E-03 ppm1      1.524 ppm2      2.198 CV     1
 OR {  132}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 OR {  132}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  135}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.65527E-03 ppm1      1.392 ppm2      3.872 CV     1
 OR {  135}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  141}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10691E-01 ppm1      1.653 ppm2      4.250 CV     1
 OR {  141}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  148}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HD2 ))
      4.200     2.200     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.31610E-03 ppm1      1.672 ppm2      3.305 CV     1
 OR {  148}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
 ASSI {  156}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.800     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.29073E-02 ppm1      1.673 ppm2      2.035 CV     1
 OR {  156}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  159}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
      3.000     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.35947E-02 ppm1      1.392 ppm2      0.987 CV     1
 OR {  159}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 74   and name HG  ))
 OR {  159}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  160}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.900     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.27096E-02 ppm1      1.529 ppm2      0.846 CV     1
 OR {  160}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  161}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.57880E-02 ppm1      1.632 ppm2      0.963 CV     1
 OR {  161}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
 OR {  161}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  163}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.600     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.47825E-02 ppm1      1.674 ppm2      1.138 CV     1
 OR {  163}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  164}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.80820E-02 ppm1      1.672 ppm2      1.039 CV     1
 OR {  164}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  167}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.48914E-02 ppm1      0.925 ppm2      4.093 CV     1
 OR {  167}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  171}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
      4.200     2.200     1.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1      1.547 ppm2      4.068 CV     1
 OR {  171}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
 OR {  171}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  173}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.29344E-02 ppm1      1.574 ppm2      4.218 CV     1
 OR {  173}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  175}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.14764E-02 ppm1      0.925 ppm2      3.745 CV     1
 OR {  175}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  177}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.10871E-02 ppm1      1.064 ppm2      3.095 CV     1
 OR {  177}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  180}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      2.300     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.35761E-02 ppm1      1.573 ppm2      0.982 CV     1
 OR {  180}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  190}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.24366E-02 ppm1      0.926 ppm2      2.778 CV     1
 OR {  190}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  191}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      1.064 ppm2      3.002 CV     1
 OR {  191}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  191}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  196}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.81315E-02 ppm1      1.545 ppm2      7.838 CV     1
 OR {  196}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  200}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.28862E-02 ppm1      1.061 ppm2      7.719 CV     1
 OR {  200}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  201}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.57763E-03 ppm1      0.925 ppm2      7.972 CV     1
 OR {  201}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 OR {  201}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  204}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.75139E-03 ppm1      1.547 ppm2      8.481 CV     1
 OR {  204}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  207}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.59207E-03 ppm1      0.924 ppm2      8.135 CV     1
 OR {  207}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  212}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak   212 spectrum    1 weight  0.10000E+01 volume  0.16914E-02 ppm1      1.130 ppm2      8.408 CV     1
 OR {  212}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  223}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.70356E-02 ppm1      1.131 ppm2      3.955 CV     1
 OR {  223}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  225}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.96858E-02 ppm1      1.131 ppm2      4.410 CV     1
 OR {  225}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  226}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.10460E-01 ppm1      1.215 ppm2      2.413 CV     1
 OR {  226}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  228}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.86471E-03 ppm1      1.215 ppm2      2.218 CV     1
 OR {  228}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  229}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.700     1.800     1.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.10436E-02 ppm1      1.132 ppm2      2.200 CV     1
 OR {  229}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  230}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.800     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.25216E-02 ppm1      1.131 ppm2      2.034 CV     1
 OR {  230}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  231}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      3.200     1.300     1.300 peak   231 spectrum    1 weight  0.10000E+01 volume  0.29721E-02 ppm1      1.131 ppm2      1.884 CV     1
 OR {  231}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  235}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
      2.900     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.54930E-02 ppm1      1.215 ppm2      0.952 CV     1
 OR {  235}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  235}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  236}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
      2.300     0.600     0.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.82443E-02 ppm1      1.130 ppm2      0.868 CV     1
 OR {  236}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  246}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      3.300     1.300     1.300 peak   246 spectrum    1 weight  0.10000E+01 volume  0.18364E-02 ppm1      1.080 ppm2      1.617 CV     1
 OR {  246}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  246}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  250}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.68835E-03 ppm1      1.084 ppm2      2.181 CV     1
 OR {  250}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  251}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
      3.100     3.100     2.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.33814E-02 ppm1      1.130 ppm2      0.941 CV     1
 OR {  251}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  251}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
 OR {  251}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  254}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.12523E-02 ppm1      0.972 ppm2      2.789 CV     1
 OR {  254}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  256}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD2 ))
      4.000     2.000     2.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.48045E-03 ppm1      1.085 ppm2      3.337 CV     1
 OR {  256}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  261}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.57288E-03 ppm1      0.975 ppm2      3.748 CV     1
 OR {  261}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  262}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.700     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.87134E-03 ppm1      0.979 ppm2      3.991 CV     1
 OR {  262}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  265}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
      3.500     1.500     1.500 peak   265 spectrum    1 weight  0.10000E+01 volume  0.15339E-02 ppm1      1.041 ppm2      4.051 CV     1
 OR {  265}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA1 ))
 OR {  265}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  270}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   270 spectrum    1 weight  0.10000E+01 volume  0.51785E-02 ppm1      0.974 ppm2      4.683 CV     1
 OR {  270}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  276}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.800     1.800     1.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.74644E-03 ppm1      1.281 ppm2      4.689 CV     1
 OR {  276}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  280}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
      4.200     2.200     1.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.92264E-03 ppm1      1.419 ppm2      2.707 CV     1
 OR {  280}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  280}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  292}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.19850E-02 ppm1      1.080 ppm2      8.467 CV     1
 OR {  292}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  293}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.24392E-02 ppm1      1.039 ppm2      8.452 CV     1
 OR {  293}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  294}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.15461E-02 ppm1      1.040 ppm2      8.222 CV     1
 OR {  294}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 OR {  294}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  299}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.63240E-03 ppm1      1.244 ppm2      8.476 CV     1
 OR {  299}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  301}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.300     1.400     1.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.81387E-03 ppm1      1.078 ppm2      9.093 CV     1
 OR {  301}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  305}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.400     2.400     3.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.34005E-02 ppm1      1.117 ppm2      0.796 CV     1
 OR {  305}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  305}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  307}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.39403E-02 ppm1      1.067 ppm2      0.792 CV     1
 OR {  307}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  307}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 OR {  307}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  309}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
      2.400     2.400     3.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.24635E-02 ppm1      1.117 ppm2      1.405 CV     1
 OR {  309}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 65   and name HB% )
 ASSI {  310}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 18   and name HB% )
      3.900     1.900     1.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.85521E-03 ppm1      1.116 ppm2      1.553 CV     1
 OR {  310}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  310}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  311}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.000     1.100     1.100 peak   311 spectrum    1 weight  0.10000E+01 volume  0.22264E-02 ppm1      1.066 ppm2      1.529 CV     1
 OR {  311}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 OR {  311}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  314}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.11262E-01 ppm1      1.068 ppm2      1.704 CV     1
 OR {  314}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 OR {  314}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  315}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.200     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.11983E-02 ppm1      1.115 ppm2      2.014 CV     1
 OR {  315}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  317}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      3.800     1.800     1.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      1.070 ppm2      1.919 CV     1
 OR {  317}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 OR {  317}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  317}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  328}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.39334E-02 ppm1      1.117 ppm2      4.041 CV     1
 OR {  328}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  330}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.11758E-02 ppm1      1.070 ppm2      3.970 CV     1
 OR {  330}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  330}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  330}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  334}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.63133E-03 ppm1      1.033 ppm2      4.522 CV     1
 OR {  334}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  335}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      4.300     2.400     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.63408E-03 ppm1      1.113 ppm2      4.382 CV     1
 OR {  335}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  335}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  336}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HA  ))
      4.600     2.700     1.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.56471E-03 ppm1      1.118 ppm2      4.210 CV     1
 OR {  336}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  336}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  344}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.16443E-02 ppm1      1.119 ppm2      8.220 CV     1
 OR {  344}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  353}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      0.357 ppm2      8.468 CV     1
 OR {  353}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  357}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak   357 spectrum    1 weight  0.10000E+01 volume  0.25472E-02 ppm1      1.042 ppm2      8.411 CV     1
 OR {  357}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  358}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.900     3.000     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.43621E-03 ppm1      0.885 ppm2      8.283 CV     1
 OR {  358}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  363}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.900     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.78543E-03 ppm1      1.046 ppm2      8.736 CV     1
 OR {  363}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  364}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.15501E-02 ppm1      1.046 ppm2      8.074 CV     1
 OR {  364}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  370}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.300     1.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.46988E-03 ppm1      1.385 ppm2      8.040 CV     1
 OR {  370}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  371}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.45476E-03 ppm1      0.460 ppm2      8.049 CV     1
 OR {  371}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  374}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.200     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.17618E-02 ppm1      0.460 ppm2      7.216 CV     1
 OR {  374}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  375}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
      5.300     3.600     0.700 peak   375 spectrum    1 weight  0.10000E+01 volume  0.30511E-03 ppm1      0.360 ppm2      7.301 CV     1
 OR {  375}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  379}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      5.300     3.400     0.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.32067E-03 ppm1      0.224 ppm2      8.236 CV     1
 OR {  379}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  380}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.400     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.34617E-03 ppm1      0.359 ppm2      8.222 CV     1
 OR {  380}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  387}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.67094E-03 ppm1      0.693 ppm2      7.216 CV     1
 OR {  387}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  389}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      4.600     2.700     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.26037E-03 ppm1      0.696 ppm2      6.960 CV     1
 OR {  389}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  391}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH22))
      4.500     2.600     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.60371E-03 ppm1      0.460 ppm2      6.892 CV     1
 OR {  391}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
 OR {  391}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
 OR {  391}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  404}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.300     2.300     1.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.48133E-03 ppm1      1.048 ppm2      7.210 CV     1
 OR {  404}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HE  ))
 ASSI {  405}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.18850E-02 ppm1      1.134 ppm2      7.478 CV     1
 OR {  405}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  421}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.95281E-03 ppm1      1.043 ppm2      4.410 CV     1
 OR {  421}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  421}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  428}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.52633E-02 ppm1      0.763 ppm2      4.402 CV     1
 OR {  428}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  432}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.400     2.400     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.45123E-03 ppm1      0.694 ppm2      4.724 CV     1
 OR {  432}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
      4.000     2.000     2.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.69248E-03 ppm1      0.358 ppm2      4.389 CV     1
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
      4.000     2.000     2.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.20062E-02 ppm1      0.360 ppm2      4.269 CV     1
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  438}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.72821E-03 ppm1      0.230 ppm2      4.389 CV     1
 OR {  438}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  438}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  441}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.36011E-02 ppm1      0.228 ppm2      3.893 CV     1
 OR {  441}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  442}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.11299E-02 ppm1      0.460 ppm2      3.870 CV     1
 OR {  442}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  446}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      3.200     1.300     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.58243E-03 ppm1      0.462 ppm2      4.323 CV     1
 OR {  446}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  447}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.500     2.500     1.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.51837E-03 ppm1      0.459 ppm2      4.225 CV     1
 OR {  447}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  451}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.300     1.300 peak   451 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      1.046 ppm2      3.893 CV     1
 OR {  451}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  462}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   462 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      0.362 ppm2      2.801 CV     1
 OR {  462}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {  467}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.11841E-02 ppm1      0.228 ppm2      2.779 CV     1
 OR {  467}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  471}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.900     3.000     1.100 peak   471 spectrum    1 weight  0.10000E+01 volume  0.43798E-03 ppm1      0.229 ppm2      2.411 CV     1
 OR {  471}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  474}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      4.200     2.200     1.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.34060E-03 ppm1      1.049 ppm2      2.717 CV     1
 OR {  474}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  474}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  474}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  477}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   477 spectrum    1 weight  0.10000E+01 volume  0.10850E-01 ppm1      1.135 ppm2      2.413 CV     1
 OR {  477}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  478}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
      3.300     1.400     1.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.92463E-03 ppm1      1.044 ppm2      3.021 CV     1
 OR {  478}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  480}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak   480 spectrum    1 weight  0.10000E+01 volume  0.12145E-02 ppm1      1.135 ppm2      1.883 CV     1
 OR {  480}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 72   and name HB1 ))
 ASSI {  485}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.31993E-02 ppm1      1.043 ppm2      2.226 CV     1
 OR {  485}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  493}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.14620E-02 ppm1      0.461 ppm2      1.876 CV     1
 OR {  493}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  495}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.200     1.200 peak   495 spectrum    1 weight  0.10000E+01 volume  0.23679E-02 ppm1      0.460 ppm2      1.636 CV     1
 OR {  495}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  497}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   497 spectrum    1 weight  0.10000E+01 volume  0.40635E-02 ppm1      0.360 ppm2      1.516 CV     1
 OR {  497}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 44   and name HB% )
 ASSI {  503}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.800     1.800     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.73342E-03 ppm1      0.697 ppm2      1.998 CV     1
 OR {  503}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  505}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.53945E-02 ppm1      1.046 ppm2      1.561 CV     1
 OR {  505}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  507}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.91769E-02 ppm1      1.049 ppm2      1.891 CV     1
 OR {  507}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  515}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.800     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.41908E-02 ppm1      0.695 ppm2      1.057 CV     1
 OR {  515}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  517}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      3.100     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.22867E-02 ppm1      0.762 ppm2      1.033 CV     1
 OR {  517}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
 OR {  517}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  527}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      3.000     1.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.20178E-02 ppm1      0.360 ppm2      0.986 CV     1
 OR {  527}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  532}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      3.900     1.900     1.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.10029E-02 ppm1      0.226 ppm2      1.063 CV     1
 OR {  532}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 OR {  532}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 70   and name HG2%)
 OR {  532}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  533}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.400     1.500     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.17605E-02 ppm1      0.227 ppm2      0.981 CV     1
 OR {  533}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  533}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  535}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak   535 spectrum    1 weight  0.10000E+01 volume  0.88604E-03 ppm1      0.362 ppm2      0.876 CV     1
 OR {  535}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  536}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.43886E-03 ppm1      0.227 ppm2      0.889 CV     1
 OR {  536}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
 OR {  536}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  536}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  538}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      2.600     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.42450E-02 ppm1      0.696 ppm2      0.887 CV     1
 OR {  538}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  540}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.800     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.72301E-02 ppm1      1.042 ppm2      0.628 CV     1
 OR {  540}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 OR {  540}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
 OR {  540}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  541}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.86491E-02 ppm1      1.045 ppm2      0.789 CV     1
 OR {  541}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  541}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  541}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  549}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.800     1.000     1.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.38479E-02 ppm1      1.385 ppm2      0.776 CV     1
 OR {  549}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  551}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.14917E-01 ppm1      1.043 ppm2      0.858 CV     1
 OR {  551}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 OR {  551}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  552}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
      2.400     0.700     0.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.74730E-02 ppm1      1.136 ppm2      0.955 CV     1
 OR {  552}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {  552}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  552}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  558}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 4    and name HD1%)
      3.500     1.500     1.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.31550E-02 ppm1      0.648 ppm2      0.905 CV     1
 OR {  558}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 58   and name HG1%)
 OR {  558}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  559}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
      2.400     0.700     0.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.58692E-02 ppm1      0.649 ppm2      0.852 CV     1
 OR {  559}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  560}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      2.800     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.51510E-02 ppm1      0.610 ppm2      1.044 CV     1
 OR {  560}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  560}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  562}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.700     0.900     0.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.55731E-02 ppm1      0.609 ppm2      0.876 CV     1
 OR {  562}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  562}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  563}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.400     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.59442E-02 ppm1      0.608 ppm2      0.805 CV     1
 OR {  563}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  565}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.38539E-02 ppm1      0.797 ppm2      1.375 CV     1
 OR {  565}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  565}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  572}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.48361E-02 ppm1      0.782 ppm2      1.626 CV     1
 OR {  572}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  574}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.87099E-02 ppm1      0.796 ppm2      1.566 CV     1
 OR {  574}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  574}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  581}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.500     1.500 peak   581 spectrum    1 weight  0.10000E+01 volume  0.52500E-03 ppm1      0.800 ppm2      1.909 CV     1
 OR {  581}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 OR {  581}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  587}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17878E-02 ppm1      0.609 ppm2      3.891 CV     1
 OR {  587}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  590}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.62970E-02 ppm1      0.960 ppm2      4.282 CV     1
 OR {  590}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {  590}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  590}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  603}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.200     1.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.26088E-02 ppm1      0.959 ppm2      3.979 CV     1
 OR {  603}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  603}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  606}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.74746E-03 ppm1      0.650 ppm2      4.214 CV     1
 OR {  606}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  607}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.600     1.600     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.88380E-03 ppm1      0.610 ppm2      4.216 CV     1
 OR {  607}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  608}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.31303E-03 ppm1      0.796 ppm2      4.218 CV     1
 OR {  608}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  608}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  608}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  610}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.17364E-02 ppm1      0.610 ppm2      4.535 CV     1
 OR {  610}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  611}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.600     1.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.22103E-02 ppm1      0.647 ppm2      4.530 CV     1
 OR {  611}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  625}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      3.100     1.200     1.200 peak   625 spectrum    1 weight  0.10000E+01 volume  0.27725E-02 ppm1      0.796 ppm2      7.331 CV     1
 OR {  625}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 OR {  625}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  631}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.55451E-03 ppm1      0.796 ppm2      8.073 CV     1
 OR {  631}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  636}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.62454E-03 ppm1      0.795 ppm2      8.853 CV     1
 OR {  636}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 OR {  636}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  645}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.97451E-03 ppm1      1.693 ppm2      8.720 CV     1
 OR {  645}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  646}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
      2.500     2.500     3.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.21267E-02 ppm1      0.875 ppm2      8.721 CV     1
 OR {  646}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
 OR {  646}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  649}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.66104E-03 ppm1      2.184 ppm2      7.205 CV     1
 OR {  649}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  650}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.200     1.300     1.300 peak   650 spectrum    1 weight  0.10000E+01 volume  0.14890E-02 ppm1      0.893 ppm2      7.322 CV     1
 OR {  650}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 OR {  650}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 OR {  650}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  654}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.40121E-03 ppm1      1.315 ppm2      7.219 CV     1
 OR {  654}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  663}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      2.700     2.700     3.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.17079E-02 ppm1      0.877 ppm2      7.678 CV     1
 OR {  663}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
 OR {  663}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
 OR {  663}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
 OR {  663}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  668}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.800     1.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.55297E-03 ppm1      0.872 ppm2      8.854 CV     1
 OR {  668}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  679}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak   679 spectrum    1 weight  0.10000E+01 volume  0.72275E-03 ppm1      0.801 ppm2      7.318 CV     1
 OR {  679}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HE  ))
 OR {  679}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  686}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      4.200     2.200     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.12821E-02 ppm1      0.983 ppm2      4.222 CV     1
 OR {  686}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  687}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      0.896 ppm2      4.397 CV     1
 OR {  687}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  688}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.500     1.500 peak   688 spectrum    1 weight  0.10000E+01 volume  0.96608E-03 ppm1      0.896 ppm2      4.226 CV     1
 OR {  688}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  688}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  688}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  699}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.800     1.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.47930E-03 ppm1      2.049 ppm2      3.953 CV     1
 OR {  699}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  706}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.33225E-02 ppm1      0.981 ppm2      2.426 CV     1
 OR {  706}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  713}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.200     2.200     1.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.27487E-03 ppm1      1.700 ppm2      2.762 CV     1
 OR {  713}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  714}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.300     1.300     1.300 peak   714 spectrum    1 weight  0.10000E+01 volume  0.14142E-02 ppm1      2.045 ppm2      2.223 CV     1
 OR {  714}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  719}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak   719 spectrum    1 weight  0.10000E+01 volume  0.10783E-02 ppm1      2.181 ppm2      0.878 CV     1
 OR {  719}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  725}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.000     1.100     1.100 peak   725 spectrum    1 weight  0.10000E+01 volume  0.29771E-02 ppm1      1.693 ppm2      1.557 CV     1
 OR {  725}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  726}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.11913E-02 ppm1      1.312 ppm2      0.879 CV     1
 OR {  726}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  732}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.47278E-02 ppm1      0.983 ppm2      1.561 CV     1
 OR {  732}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  739}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.100     1.100 peak   739 spectrum    1 weight  0.10000E+01 volume  0.23647E-02 ppm1      0.797 ppm2      1.140 CV     1
 OR {  739}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  744}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.300     0.600     0.600 peak   744 spectrum    1 weight  0.10000E+01 volume  0.83643E-02 ppm1      0.873 ppm2      2.207 CV     1
 OR {  744}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  746}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.900     1.900     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.17772E-02 ppm1      0.873 ppm2      1.925 CV     1
 OR {  746}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  747}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      2.000     0.500     0.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.19470E-01 ppm1      0.875 ppm2      1.690 CV     1
 OR {  747}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  748}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.82331E-02 ppm1      0.876 ppm2      1.548 CV     1
 OR {  748}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  753}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.000     1.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.26196E-02 ppm1      0.871 ppm2      0.600 CV     1
 OR {  753}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  767}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.60244E-02 ppm1      1.832 ppm2      0.876 CV     1
 OR {  767}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  768}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.800     0.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.36721E-02 ppm1      1.886 ppm2      0.771 CV     1
 OR {  768}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  773}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.16292E-02 ppm1      1.565 ppm2      0.796 CV     1
 OR {  773}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  774}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HD1%)
      2.400     0.700     0.700 peak   774 spectrum    1 weight  0.10000E+01 volume  0.45363E-02 ppm1      1.543 ppm2      0.872 CV     1
 OR {  774}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  781}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      3.000     1.100     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.42514E-02 ppm1      1.128 ppm2      0.871 CV     1
 OR {  781}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 OR {  781}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  782}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
      2.500     0.800     0.800 peak   782 spectrum    1 weight  0.10000E+01 volume  0.56686E-02 ppm1      1.129 ppm2      0.792 CV     1
 OR {  782}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  785}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.36321E-02 ppm1      1.888 ppm2      1.045 CV     1
 OR {  785}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  795}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12))
      1.600     0.300     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.11555E-01 ppm1      1.832 ppm2      1.548 CV     1
 OR {  795}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  796}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.200     0.600     0.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.80172E-02 ppm1      1.359 ppm2      1.624 CV     1
 OR {  796}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  797}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.300     0.600     0.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.55236E-02 ppm1      1.351 ppm2      1.514 CV     1
 OR {  797}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  798}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      3.900     1.900     1.900 peak   798 spectrum    1 weight  0.10000E+01 volume  0.18159E-02 ppm1      1.130 ppm2      1.700 CV     1
 OR {  798}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR {  798}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  799}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.600     0.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.64281E-02 ppm1      1.129 ppm2      1.562 CV     1
 OR {  799}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  802}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.33334E-02 ppm1      1.202 ppm2      1.635 CV     1
 OR {  802}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  806}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.17158E-02 ppm1      1.129 ppm2      2.007 CV     1
 OR {  806}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  814}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.300     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.69646E-02 ppm1      1.828 ppm2      2.032 CV     1
 OR {  814}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  819}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.100     1.100 peak   819 spectrum    1 weight  0.10000E+01 volume  0.20023E-02 ppm1      1.363 ppm2      3.018 CV     1
 OR {  819}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  832}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.54042E-03 ppm1      1.130 ppm2      3.306 CV     1
 OR {  832}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  837}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.20322E-02 ppm1      1.130 ppm2      3.884 CV     1
 OR {  837}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  845}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   845 spectrum    1 weight  0.10000E+01 volume  0.21288E-02 ppm1      1.831 ppm2      4.377 CV     1
 OR {  845}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  847}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.89191E-03 ppm1      1.883 ppm2      4.402 CV     1
 OR {  847}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  847}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  848}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.200     1.200 peak   848 spectrum    1 weight  0.10000E+01 volume  0.21486E-02 ppm1      1.828 ppm2      4.271 CV     1
 OR {  848}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {  850}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak   850 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      1.729 ppm2      4.291 CV     1
 OR {  850}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  851}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.60596E-03 ppm1      1.831 ppm2      4.672 CV     1
 OR {  851}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  856}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.600     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.30547E-02 ppm1      1.544 ppm2      4.378 CV     1
 OR {  856}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  857}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      1.484 ppm2      4.661 CV     1
 OR {  857}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  858}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   858 spectrum    1 weight  0.10000E+01 volume  0.11658E-02 ppm1      1.353 ppm2      4.272 CV     1
 OR {  858}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  859}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak   859 spectrum    1 weight  0.10000E+01 volume  0.23575E-02 ppm1      1.130 ppm2      4.224 CV     1
 OR {  859}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  865}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.300     1.400     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.97874E-03 ppm1      1.407 ppm2      7.326 CV     1
 OR {  865}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  872}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   872 spectrum    1 weight  0.10000E+01 volume  0.30990E-02 ppm1      1.831 ppm2      7.720 CV     1
 OR {  872}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  874}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.543 ppm2      7.718 CV     1
 OR {  874}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  883}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   883 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      1.843 ppm2      8.278 CV     1
 OR {  883}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  892}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.16342E-02 ppm1      1.945 ppm2      8.462 CV     1
 OR {  892}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  897}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   897 spectrum    1 weight  0.10000E+01 volume  0.13497E-02 ppm1      1.628 ppm2      8.466 CV     1
 OR {  897}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  918}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.600     0.800     0.800 peak   918 spectrum    1 weight  0.10000E+01 volume  0.37414E-02 ppm1      1.931 ppm2      3.345 CV     1
 OR {  918}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI {  922}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.39127E-02 ppm1      2.351 ppm2      4.238 CV     1
 OR {  922}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  923}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.18047E-02 ppm1      2.356 ppm2      4.095 CV     1
 OR {  923}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  923}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  925}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      2.512 ppm2      4.095 CV     1
 OR {  925}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  925}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  944}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
      2.900     1.100     1.100 peak   944 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      1.730 ppm2      1.063 CV     1
 OR {  944}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  949}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HD1%)
      2.500     0.800     0.800 peak   949 spectrum    1 weight  0.10000E+01 volume  0.29895E-02 ppm1      1.286 ppm2      0.822 CV     1
 OR {  949}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  954}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      4.200     2.200     1.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.73898E-03 ppm1      2.037 ppm2      1.047 CV     1
 OR {  954}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  954}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  954}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  954}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  954}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  954}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  954}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  954}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  954}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  954}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  954}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  954}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  955}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      4.000     2.000     2.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      2.279 ppm2      1.129 CV     1
 OR {  955}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  958}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.800     0.400     0.400 peak   958 spectrum    1 weight  0.10000E+01 volume  0.86374E-02 ppm1      1.873 ppm2      1.622 CV     1
 OR {  958}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  960}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.56002E-02 ppm1      2.034 ppm2      1.706 CV     1
 OR {  960}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
 OR {  960}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  963}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.700     0.900     0.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.48571E-02 ppm1      2.270 ppm2      2.631 CV     1
 OR {  963}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  964}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.800     0.400     0.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.14804E-01 ppm1      2.278 ppm2      2.478 CV     1
 OR {  964}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR {  964}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {  973}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
      1.500     0.300     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.39268E-01 ppm1      2.132 ppm2      2.275 CV     1
 OR {  973}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  977}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.300     0.700     0.700 peak   977 spectrum    1 weight  0.10000E+01 volume  0.10440E-01 ppm1      2.253 ppm2      2.413 CV     1
 OR {  977}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 68   and name HB  ))
 OR {  977}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  977}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  983}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.100     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      1.610 ppm2      3.020 CV     1
 OR {  983}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  989}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.21137E-02 ppm1      2.040 ppm2      4.241 CV     1
 OR {  989}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  993}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.44375E-02 ppm1      2.274 ppm2      4.399 CV     1
 OR {  993}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  994}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.31577E-02 ppm1      2.131 ppm2      4.398 CV     1
 OR {  994}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  995}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.54368E-02 ppm1      2.274 ppm2      4.225 CV     1
 OR {  995}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1002}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.21490E-02 ppm1      2.274 ppm2      7.834 CV     1
 OR { 1002}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 OR { 1002}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1008}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.79641E-03 ppm1      2.136 ppm2      7.837 CV     1
 OR { 1008}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1012}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.20653E-02 ppm1      1.860 ppm2      8.464 CV     1
 OR { 1012}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1015}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.97915E-03 ppm1      2.037 ppm2      8.414 CV     1
 OR { 1015}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1015}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1015}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1020}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.75961E-03 ppm1      2.184 ppm2      7.559 CV     1
 OR { 1020}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 1022}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      2.188 ppm2      8.448 CV     1
 OR { 1022}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1033}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.200     1.200 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.17649E-02 ppm1      2.048 ppm2      7.333 CV     1
 OR { 1033}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1033}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1033}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1038}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.36436E-02 ppm1      1.901 ppm2      4.097 CV     1
 OR { 1038}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1057}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.100     0.500     0.500 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.95307E-02 ppm1      2.212 ppm2      1.015 CV     1
 OR { 1057}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1067}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      3.300     1.300     1.300 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.96251E-03 ppm1      2.255 ppm2      0.895 CV     1
 OR { 1067}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1067}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1068}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.200     2.200     1.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.46113E-03 ppm1      2.253 ppm2      0.781 CV     1
 OR { 1068}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 1068}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1073}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.100     2.100     1.900 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.34587E-03 ppm1      2.854 ppm2      1.532 CV     1
 OR { 1073}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1074}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
      5.200     3.400     0.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.29164E-03 ppm1      2.765 ppm2      1.525 CV     1
 OR { 1074}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1091}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.300     0.700     0.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.50063E-02 ppm1      2.305 ppm2      2.846 CV     1
 OR { 1091}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1097}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.700     2.800     1.300 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.69320E-03 ppm1      2.851 ppm2      2.185 CV     1
 OR { 1097}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1114}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.39479E-02 ppm1      2.307 ppm2      4.268 CV     1
 OR { 1114}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1117}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.30044E-02 ppm1      2.851 ppm2      4.268 CV     1
 OR { 1117}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1118}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      2.766 ppm2      4.268 CV     1
 OR { 1118}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1121}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.700     2.700     1.300 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.20966E-03 ppm1      2.841 ppm2      3.897 CV     1
 OR { 1121}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1122}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.800     2.900     1.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.33750E-03 ppm1      2.760 ppm2      3.879 CV     1
 OR { 1122}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1132}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.51158E-02 ppm1      2.290 ppm2      8.229 CV     1
 OR { 1132}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1137}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.23585E-02 ppm1      2.762 ppm2      8.236 CV     1
 OR { 1137}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1149}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.400     1.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      2.411 ppm2      7.476 CV     1
 OR { 1149}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1156}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HG  ))
      4.400     2.400     1.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.51872E-03 ppm1      2.411 ppm2      0.969 CV     1
 OR { 1156}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1156}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1158}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.100     0.600     0.600 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.85460E-02 ppm1      2.137 ppm2      0.958 CV     1
 OR { 1158}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1222}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 52   and name HD2%)
      4.200     2.200     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.52878E-03 ppm1      2.623 ppm2      1.036 CV     1
 OR { 1222}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1224}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.400     2.400     1.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.60943E-03 ppm1      2.770 ppm2      0.890 CV     1
 OR { 1224}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1225}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.22232E-03 ppm1      3.096 ppm2      0.961 CV     1
 OR { 1225}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1226}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.800     1.800     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.53909E-03 ppm1      3.097 ppm2      0.881 CV     1
 OR { 1226}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1242}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.300     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.31289E-03 ppm1      2.396 ppm2      7.826 CV     1
 OR { 1242}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1279}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.26173E-02 ppm1      3.590 ppm2      4.376 CV     1
 OR { 1279}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1280}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.17699E-02 ppm1      3.093 ppm2      4.377 CV     1
 OR { 1280}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1309}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      3.000     1.100     1.100 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.29213E-02 ppm1      2.789 ppm2      0.974 CV     1
 OR { 1309}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1309}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1311}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.400     0.700     0.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.45875E-02 ppm1      3.459 ppm2      0.980 CV     1
 OR { 1311}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1311}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1329}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.700     1.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      2.460 ppm2      7.719 CV     1
 OR { 1329}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1345}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.41594E-02 ppm1      3.018 ppm2      8.058 CV     1
 OR { 1345}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1346}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.300     1.300 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.11618E-02 ppm1      3.300 ppm2      8.037 CV     1
 OR { 1346}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1347}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.44089E-02 ppm1      2.841 ppm2      8.491 CV     1
 OR { 1347}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1347}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1347}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1350}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.25221E-02 ppm1      2.758 ppm2      8.615 CV     1
 OR { 1350}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1356}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.900     3.000     1.100 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.47966E-03 ppm1      3.297 ppm2      7.204 CV     1
 OR { 1356}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1358}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.69779E-03 ppm1      3.016 ppm2      7.207 CV     1
 OR { 1358}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1372}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      3.014 ppm2      4.371 CV     1
 OR { 1372}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 1372}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1382}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      4.700     2.700     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.52949E-03 ppm1      2.836 ppm2      4.537 CV     1
 OR { 1382}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1382}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 1382}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1393}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.000     2.000     2.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.11980E-02 ppm1      3.015 ppm2      1.528 CV     1
 OR { 1393}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
 ASSI { 1394}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.40024E-03 ppm1      2.839 ppm2      1.543 CV     1
 OR { 1394}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1395}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
      3.000     1.100     1.100 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.18905E-02 ppm1      2.782 ppm2      1.528 CV     1
 OR { 1395}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1397}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      4.600     2.600     1.400 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.38579E-03 ppm1      2.845 ppm2      1.259 CV     1
 OR { 1397}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1397}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 1400}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.200     2.200     1.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.32701E-03 ppm1      3.014 ppm2      1.242 CV     1
 OR { 1400}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1401}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.19509E-02 ppm1      3.019 ppm2      1.066 CV     1
 OR { 1401}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1402}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.500     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.21791E-02 ppm1      3.298 ppm2      1.066 CV     1
 OR { 1402}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1416}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      4.200     2.200     1.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.36302E-03 ppm1      3.019 ppm2      8.466 CV     1
 OR { 1416}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 OR { 1416}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1419}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.800     1.300 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.41866E-03 ppm1      2.673 ppm2      8.037 CV     1
 OR { 1419}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1420}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.32999E-03 ppm1      2.896 ppm2      8.038 CV     1
 OR { 1420}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1424}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.16177E-02 ppm1      2.704 ppm2      9.034 CV     1
 OR { 1424}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 1434}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.13810E-02 ppm1      1.628 ppm2      8.234 CV     1
 OR { 1434}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1443}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.75322E-03 ppm1      2.711 ppm2      8.835 CV     1
 OR { 1443}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1443}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1443}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1443}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1444}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.19954E-02 ppm1      2.707 ppm2      8.070 CV     1
 OR { 1444}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1445}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.50433E-02 ppm1      2.709 ppm2      7.889 CV     1
 OR { 1445}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 OR { 1445}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1450}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.52469E-03 ppm1      3.088 ppm2      7.718 CV     1
 OR { 1450}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1451}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.68130E-03 ppm1      2.991 ppm2      7.722 CV     1
 OR { 1451}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1452}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.30213E-02 ppm1      3.038 ppm2      8.055 CV     1
 OR { 1452}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1454}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.36988E-03 ppm1      3.099 ppm2      8.468 CV     1
 OR { 1454}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1455}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.81953E-03 ppm1      2.997 ppm2      8.465 CV     1
 OR { 1455}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1459}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.36273E-02 ppm1      2.339 ppm2      8.069 CV     1
 OR { 1459}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1462}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.71448E-03 ppm1      2.349 ppm2      7.216 CV     1
 OR { 1462}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1470}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.29099E-02 ppm1      3.040 ppm2      4.548 CV     1
 OR { 1470}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1474}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.47059E-02 ppm1      2.705 ppm2      4.560 CV     1
 OR { 1474}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1479}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.14593E-02 ppm1      2.338 ppm2      3.870 CV     1
 OR { 1479}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1484}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1      1.632 ppm2      4.278 CV     1
 OR { 1484}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1487}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      1.509 ppm2      3.891 CV     1
 OR { 1487}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 1488}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.22308E-02 ppm1      1.511 ppm2      4.271 CV     1
 OR { 1488}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1503}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.18052E-02 ppm1      3.043 ppm2      1.577 CV     1
 OR { 1503}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1503}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1504}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.17722E-02 ppm1      2.703 ppm2      1.577 CV     1
 OR { 1504}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1504}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1505}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.400     1.400     1.400 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.14354E-02 ppm1      2.710 ppm2      1.396 CV     1
 OR { 1505}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1505}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 OR { 1505}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1505}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1505}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1505}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1509}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
      3.300     1.400     1.400 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.29830E-02 ppm1      2.339 ppm2      1.050 CV     1
 OR { 1509}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 1509}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1521}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.39975E-02 ppm1      1.449 ppm2      0.778 CV     1
 OR { 1521}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 1534}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.700     0.400     0.500 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.11462E-01 ppm1      1.031 ppm2      1.632 CV     1
 OR { 1534}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1537}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      4.100     2.100     1.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.75787E-03 ppm1      2.336 ppm2      0.883 CV     1
 OR { 1537}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1537}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1538}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.60004E-03 ppm1      3.098 ppm2      1.853 CV     1
 OR { 1538}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1541}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.31842E-02 ppm1      1.593 ppm2      9.432 CV     1
 OR { 1541}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1544}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.44811E-02 ppm1      1.550 ppm2      8.721 CV     1
 OR { 1544}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1548}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.45471E-02 ppm1      2.017 ppm2      8.279 CV     1
 OR { 1548}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1551}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      2.300     0.700     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.49480E-02 ppm1      2.197 ppm2      8.715 CV     1
 OR { 1551}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1566}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      3.000     1.100     1.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.13051E-02 ppm1      1.591 ppm2      7.330 CV     1
 OR { 1566}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 1577}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.40397E-02 ppm1      2.037 ppm2      4.285 CV     1
 OR { 1577}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1578}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.39617E-02 ppm1      1.914 ppm2      4.286 CV     1
 OR { 1578}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1586}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.27037E-02 ppm1      1.605 ppm2      4.367 CV     1
 OR { 1586}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1588}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.27740E-02 ppm1      1.483 ppm2      4.363 CV     1
 OR { 1588}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1594}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      1.700     0.400     0.500 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.88176E-02 ppm1      1.703 ppm2      2.426 CV     1
 OR { 1594}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 1607}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.500     0.800     0.800 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.33434E-02 ppm1      2.198 ppm2      1.691 CV     1
 OR { 1607}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1611}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.900     1.100     1.100 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.17895E-02 ppm1      2.205 ppm2      1.044 CV     1
 OR { 1611}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1614}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.300     0.700     0.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.75348E-02 ppm1      2.018 ppm2      0.980 CV     1
 OR { 1614}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1614}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1614}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1614}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1615}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
      2.600     0.900     0.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.36347E-02 ppm1      1.911 ppm2      0.963 CV     1
 OR { 1615}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1615}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1618}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      2.500     0.800     0.800 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.52745E-02 ppm1      1.778 ppm2      1.061 CV     1
 OR { 1618}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1642}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.29091E-02 ppm1      3.448 ppm2      2.184 CV     1
 OR { 1642}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1647}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.52469E-02 ppm1      3.308 ppm2      2.021 CV     1
 OR { 1647}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1647}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1648}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.700     0.900     0.900 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.48948E-02 ppm1      3.448 ppm2      1.963 CV     1
 OR { 1648}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1651}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.700     0.900     0.900 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.43523E-02 ppm1      3.310 ppm2      1.718 CV     1
 OR { 1651}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1654}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
      3.000     1.100     1.100 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.74317E-03 ppm1      3.272 ppm2      0.982 CV     1
 OR { 1654}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1654}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1661}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.52490E-03 ppm1      3.445 ppm2      4.399 CV     1
 OR { 1661}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1662}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     3.100     2.900 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.59039E-03 ppm1      3.304 ppm2      4.401 CV     1
 OR { 1662}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1662}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 1662}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 1662}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1664}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HA  ))
      4.300     2.300     1.700 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.45285E-03 ppm1      3.442 ppm2      4.237 CV     1
 OR { 1664}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1665}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      4.100     2.100     1.900 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.49703E-03 ppm1      3.300 ppm2      4.235 CV     1
 OR { 1665}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1666}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.600     3.600     2.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.21759E-03 ppm1      3.449 ppm2      4.113 CV     1
 OR { 1666}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 1666}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1669}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     3.400     2.600 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.34307E-03 ppm1      3.441 ppm2      3.960 CV     1
 OR { 1669}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1670}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     3.500     2.500 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.26127E-03 ppm1      3.303 ppm2      3.963 CV     1
 OR { 1670}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1694}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.100     1.200     1.200 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16466E-02 ppm1      3.354 ppm2      8.001 CV     1
 OR { 1694}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1697}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.800     0.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.10290E-03 ppm1      3.026 ppm2      8.094 CV     1
 OR { 1697}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1701}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.400     1.600 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.51632E-03 ppm1      3.446 ppm2      8.462 CV     1
 OR { 1701}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1702}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.500     1.500 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.40142E-03 ppm1      3.358 ppm2      8.471 CV     1
 OR { 1702}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1707}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.13341E-01 ppm1      4.077 ppm2      8.491 CV     1
 OR { 1707}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1707}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1707}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1727}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     2.900     3.100 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.10052E-02 ppm1      4.080 ppm2      2.843 CV     1
 OR { 1727}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1727}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 1727}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1727}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1734}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
      4.000     2.000     2.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.72786E-03 ppm1      4.021 ppm2      8.293 CV     1
 OR { 1734}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 1734}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1750}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
      3.100     1.200     1.200 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.33918E-02 ppm1      4.027 ppm2      1.612 CV     1
 OR { 1750}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1750}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 1750}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1754}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.500     1.500 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.28490E-03 ppm1      2.807 ppm2      8.480 CV     1
 OR { 1754}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1787}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.39496E-02 ppm1      4.013 ppm2      1.025 CV     1
 OR { 1787}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1788}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.100     0.600     0.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.64286E-02 ppm1      3.576 ppm2      1.026 CV     1
 OR { 1788}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1794}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.50472E-03 ppm1      2.813 ppm2      0.881 CV     1
 OR { 1794}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 1794}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1801}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.36245E-02 ppm1      4.377 ppm2      7.839 CV     1
 OR { 1801}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1819}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.57038E-02 ppm1      4.727 ppm2      8.498 CV     1
 OR { 1819}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1820}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.11464E-01 ppm1      4.716 ppm2      8.474 CV     1
 OR { 1820}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1820}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1833}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.82663E-03 ppm1      4.370 ppm2      7.308 CV     1
 OR { 1833}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 1841}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.400     1.500     1.500 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      4.461 ppm2      2.131 CV     1
 OR { 1841}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1851}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     1.300     1.300 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.19739E-02 ppm1      5.055 ppm2      1.069 CV     1
 OR { 1851}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1853}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.50290E-02 ppm1      4.366 ppm2      0.983 CV     1
 OR { 1853}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1854}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.200     1.300     1.300 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.73066E-02 ppm1      4.365 ppm2      0.886 CV     1
 OR { 1854}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1855}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.25667E-02 ppm1      4.315 ppm2      1.071 CV     1
 OR { 1855}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1857}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.49787E-03 ppm1      4.357 ppm2      1.071 CV     1
 OR { 1857}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1860}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.700     2.700     3.300 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.13136E-02 ppm1      4.285 ppm2      0.879 CV     1
 OR { 1860}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1870}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.40205E-02 ppm1      4.743 ppm2      8.472 CV     1
 OR { 1870}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1894}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.600     0.900     0.900 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.46885E-02 ppm1      3.983 ppm2      0.969 CV     1
 OR { 1894}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1894}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1894}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1907}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.20919E-02 ppm1      4.407 ppm2      2.271 CV     1
 OR { 1907}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1915}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.400     1.400     1.400 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.11285E-02 ppm1      4.219 ppm2      7.959 CV     1
 OR { 1915}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 1928}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.500     0.800     0.800 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.58350E-02 ppm1      4.454 ppm2      2.837 CV     1
 OR { 1928}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1929}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.45423E-02 ppm1      4.455 ppm2      2.750 CV     1
 OR { 1929}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1930}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.64526E-02 ppm1      4.218 ppm2      1.567 CV     1
 OR { 1930}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1934}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.900     1.900     1.900 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.17452E-02 ppm1      3.960 ppm2      2.216 CV     1
 OR { 1934}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1935}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      4.600     2.600     1.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.53700E-03 ppm1      3.956 ppm2      1.650 CV     1
 OR { 1935}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1939}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      3.900     1.900     1.900 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.92224E-03 ppm1      4.392 ppm2      1.594 CV     1
 OR { 1939}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1941}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      4.000     2.000     2.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.54710E-03 ppm1      4.454 ppm2      1.032 CV     1
 OR { 1941}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1944}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      3.500     1.500     1.500 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      3.952 ppm2      1.061 CV     1
 OR { 1944}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1944}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1945}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.600     0.900     0.900 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.36936E-02 ppm1      3.954 ppm2      0.861 CV     1
 OR { 1945}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1951}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.600     0.600 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.72847E-02 ppm1      3.893 ppm2      1.528 CV     1
 OR { 1951}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1951}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1953}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.23412E-02 ppm1      3.895 ppm2      1.126 CV     1
 OR { 1953}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1958}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.17136E-02 ppm1      3.311 ppm2      1.633 CV     1
 OR { 1958}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1959}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      2.200     0.600     0.600 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.99339E-02 ppm1      4.215 ppm2      1.049 CV     1
 OR { 1959}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1960}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.300     1.300     1.300 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.13057E-02 ppm1      4.216 ppm2      0.865 CV     1
 OR { 1960}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1971}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.76262E-02 ppm1      4.280 ppm2      1.901 CV     1
 OR { 1971}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1980}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      3.000     1.100     1.100 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      4.590 ppm2      1.525 CV     1
 OR { 1980}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI { 1984}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.900     1.000     1.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.33726E-02 ppm1      4.556 ppm2      2.028 CV     1
 OR { 1984}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1984}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1989}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.900     1.100     1.100 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.26209E-02 ppm1      4.315 ppm2      2.423 CV     1
 OR { 1989}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 1990}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.30533E-02 ppm1      4.315 ppm2      2.219 CV     1
 OR { 1990}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1991}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      2.000     0.500     0.500 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.15027E-01 ppm1      4.313 ppm2      1.049 CV     1
 OR { 1991}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1991}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2004}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.14618E-02 ppm1      3.893 ppm2      8.245 CV     1
 OR { 2004}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2006}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.19749E-02 ppm1      4.316 ppm2      8.102 CV     1
 OR { 2006}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 OR { 2006}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2020}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.80024E-03 ppm1      3.313 ppm2      8.048 CV     1
 OR { 2020}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2022}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.500     1.500 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      3.313 ppm2      7.212 CV     1
 OR { 2022}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2037}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.000     1.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.22111E-02 ppm1      3.894 ppm2      1.940 CV     1
 OR { 2037}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2040}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.75654E-02 ppm1      4.688 ppm2      0.967 CV     1
 OR { 2040}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
 OR { 2040}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2040}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2046}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.50073E-02 ppm1      4.234 ppm2      2.346 CV     1
 OR { 2046}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 2047}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.98579E-02 ppm1      4.237 ppm2      2.203 CV     1
 OR { 2047}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2048}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.700     0.900     0.900 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.67957E-02 ppm1      4.242 ppm2      2.487 CV     1
 OR { 2048}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 OR { 2048}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 2052}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.300     0.700     0.700 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.84026E-02 ppm1      4.270 ppm2      2.328 CV     1
 OR { 2052}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 2052}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2053}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.17741E-02 ppm1      4.270 ppm2      2.192 CV     1
 OR { 2053}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 2053}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 OR { 2053}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 2056}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.400     0.700     0.700 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.71121E-02 ppm1      4.234 ppm2      1.654 CV     1
 OR { 2056}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2058}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      3.200     3.200     2.800 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.34386E-02 ppm1      4.313 ppm2      1.526 CV     1
 OR { 2058}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 2058}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2059}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.900     1.000     1.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.43246E-02 ppm1      4.267 ppm2      1.527 CV     1
 OR { 2059}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2059}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 OR { 2059}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2062}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
      2.600     0.900     0.900 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.42463E-02 ppm1      4.274 ppm2      1.048 CV     1
 OR { 2062}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2068}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      2.900     1.000     1.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.24930E-02 ppm1      4.234 ppm2      2.614 CV     1
 OR { 2068}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI { 2069}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.800     0.800 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.35885E-02 ppm1      4.253 ppm2      2.762 CV     1
 OR { 2069}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 2070}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.000     1.100     1.100 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.28734E-02 ppm1      4.216 ppm2      2.627 CV     1
 OR { 2070}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI { 2071}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.100     1.200     1.200 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.21624E-02 ppm1      4.271 ppm2      2.845 CV     1
 OR { 2071}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 OR { 2071}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2072}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.700     0.900     0.900 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.29884E-02 ppm1      4.269 ppm2      2.765 CV     1
 OR { 2072}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 OR { 2072}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2075}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      4.372 ppm2      7.721 CV     1
 OR { 2075}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2080}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.200     1.200 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.24207E-02 ppm1      4.215 ppm2      7.828 CV     1
 OR { 2080}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2085}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.38700E-02 ppm1      4.242 ppm2      8.114 CV     1
 OR { 2085}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2088}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.100     1.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.22724E-02 ppm1      4.270 ppm2      8.507 CV     1
 OR { 2088}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2094}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.200     1.200 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.18810E-02 ppm1      3.612 ppm2      8.722 CV     1
 OR { 2094}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2101}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.61576E-02 ppm1      4.569 ppm2      7.828 CV     1
 OR { 2101}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2106}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1      3.529 ppm2      7.334 CV     1
 OR { 2106}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2112}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
      3.200     1.300     1.300 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.14171E-02 ppm1      4.305 ppm2      7.321 CV     1
 OR { 2112}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 2115}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.55037E-03 ppm1      4.034 ppm2      8.228 CV     1
 OR { 2115}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2119}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.33781E-02 ppm1      4.093 ppm2      2.767 CV     1
 OR { 2119}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 2129}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.400     1.500     1.500 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.10146E-02 ppm1      3.530 ppm2      1.904 CV     1
 OR { 2129}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 OR { 2129}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 2132}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.45492E-02 ppm1      3.612 ppm2      1.639 CV     1
 OR { 2132}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2133}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.41312E-02 ppm1      3.610 ppm2      1.528 CV     1
 OR { 2133}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2134}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.900     1.100     1.100 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.17464E-02 ppm1      3.530 ppm2      1.431 CV     1
 OR { 2134}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.90294E-03 ppm1      3.614 ppm2      1.136 CV     1
 OR { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2141}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.200     1.300     1.300 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      3.612 ppm2      0.789 CV     1
 OR { 2141}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2145}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      4.100     2.100     1.900 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      4.034 ppm2      1.031 CV     1
 OR { 2145}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 2146}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.100     1.200     1.200 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.16404E-02 ppm1      4.270 ppm2      1.377 CV     1
 OR { 2146}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 2147}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.23110E-02 ppm1      4.272 ppm2      1.513 CV     1
 OR { 2147}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2158}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.31400E-02 ppm1      4.386 ppm2      8.047 CV     1
 OR { 2158}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2159}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.600     1.600 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.19966E-02 ppm1      4.446 ppm2      7.474 CV     1
 OR { 2159}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 2161}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.31526E-02 ppm1      4.663 ppm2      7.720 CV     1
 OR { 2161}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2163}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.100     0.500     0.500 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.21347E-01 ppm1      4.387 ppm2      4.114 CV     1
 OR { 2163}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2163}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2178}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.73515E-02 ppm1      4.112 ppm2      8.049 CV     1
 OR { 2178}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 OR { 2178}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 2178}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2181}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      4.377 ppm2      7.722 CV     1
 OR { 2181}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2216}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.37411E-02 ppm1      4.145 ppm2      7.827 CV     1
 OR { 2216}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2217}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.36648E-02 ppm1      4.058 ppm2      7.825 CV     1
 OR { 2217}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2219}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.37018E-02 ppm1      3.745 ppm2      8.276 CV     1
 OR { 2219}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 2229}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.40303E-03 ppm1      3.758 ppm2      4.689 CV     1
 OR { 2229}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2230}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.48325E-03 ppm1      3.803 ppm2      4.681 CV     1
 OR { 2230}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2233}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.79105E-03 ppm1      4.140 ppm2      4.407 CV     1
 OR { 2233}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 2236}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
      3.900     1.900     1.900 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.92775E-03 ppm1      4.053 ppm2      4.410 CV     1
 OR { 2236}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2246}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.400     2.400     1.600 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.51566E-03 ppm1      3.755 ppm2      2.138 CV     1
 OR { 2246}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2246}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 2250}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.900     1.900     1.900 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.76134E-03 ppm1      4.147 ppm2      1.535 CV     1
 OR { 2250}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2251}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      3.900     1.900     1.900 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.94975E-03 ppm1      4.062 ppm2      1.529 CV     1
 OR { 2251}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2255}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.200     1.200 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.27161E-02 ppm1      3.748 ppm2      0.969 CV     1
 OR { 2255}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2255}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2255}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 2255}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2256}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.600     0.600 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.84209E-02 ppm1      3.746 ppm2      0.867 CV     1
 OR { 2256}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2266}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.22023E-02 ppm1      3.944 ppm2      8.225 CV     1
 OR { 2266}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2267}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11995E-02 ppm1      3.943 ppm2      7.833 CV     1
 OR { 2267}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2276}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
      4.400     2.500     1.600 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.47686E-03 ppm1      3.940 ppm2      4.378 CV     1
 OR { 2276}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2276}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2289}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.300     1.400     1.400 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.13266E-02 ppm1      3.825 ppm2      2.080 CV     1
 OR { 2289}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2290}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.22725E-02 ppm1      4.235 ppm2      2.421 CV     1
 OR { 2290}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2304}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.19890E-02 ppm1      4.233 ppm2      1.131 CV     1
 OR { 2304}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2305}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.13856E-02 ppm1      4.230 ppm2      0.986 CV     1
 OR { 2305}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 2308}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.50714E-03 ppm1      4.230 ppm2      0.777 CV     1
 OR { 2308}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 2308}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2310}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.10551E-02 ppm1      4.233 ppm2      0.890 CV     1
 OR { 2310}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 2310}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2311}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.200     2.200     1.800 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.36496E-03 ppm1      3.959 ppm2      8.423 CV     1
 OR { 2311}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2318}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.28178E-02 ppm1      3.870 ppm2      8.841 CV     1
 OR { 2318}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2325}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.400     1.400     1.400 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      3.964 ppm2      4.422 CV     1
 OR { 2325}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2335}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      3.962 ppm2      2.027 CV     1
 OR { 2335}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 2336}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.200     1.300     1.300 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.13958E-02 ppm1      3.961 ppm2      2.204 CV     1
 OR { 2336}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2338}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      3.800     1.800     1.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.87584E-03 ppm1      3.960 ppm2      1.677 CV     1
 OR { 2338}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2339}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.400     1.400 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.20151E-02 ppm1      3.869 ppm2      1.571 CV     1
 OR { 2339}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2343}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.100     1.100 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.25409E-02 ppm1      3.870 ppm2      0.795 CV     1
 OR { 2343}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2351}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.14717E-02 ppm1      4.424 ppm2      3.954 CV     1
 OR { 2351}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2353}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.100     1.100 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.24519E-02 ppm1      4.321 ppm2      8.842 CV     1
 OR { 2353}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2372}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.28650E-02 ppm1      4.374 ppm2      8.496 CV     1
 OR { 2372}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2378}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.21271E-02 ppm1      6.759 ppm2      0.881 CV     1
 OR { 2378}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2379}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
      3.500     1.500     1.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.14130E-02 ppm1      6.815 ppm2      0.874 CV     1
 OR { 2379}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2381}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      6.760 ppm2      1.068 CV     1
 OR { 2381}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2381}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2381}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2384}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      2.800     2.800     3.200 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.12599E-02 ppm1      6.815 ppm2      1.646 CV     1
 OR { 2384}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 13   and name HB% )
 OR { 2384}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 81   and name HB% )
 ASSI { 2386}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
      3.400     1.400     1.400 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.16372E-02 ppm1      6.817 ppm2      1.378 CV     1
 OR { 2386}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2387}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HG  ))
      4.800     2.900     1.200 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.52179E-03 ppm1      6.818 ppm2      2.030 CV     1
 OR { 2387}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 2394}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.000     1.100     1.100 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      6.816 ppm2      3.017 CV     1
 OR { 2394}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 2399}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      4.200     2.200     1.800 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.61382E-03 ppm1      6.762 ppm2      4.585 CV     1
 OR { 2399}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 2401}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.18170E-02 ppm1      6.761 ppm2      4.389 CV     1
 OR { 2401}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 48   and name HB  ))
 OR { 2401}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2405}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HA  ))
      3.400     3.400     2.600 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.35303E-03 ppm1      6.816 ppm2      4.095 CV     1
 OR { 2405}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 53   and name HA  ))
 OR { 2405}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 57   and name HA2 ))
 OR { 2405}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2405}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 2411}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG1%)
      5.300     3.600     0.700 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.18754E-03 ppm1      6.892 ppm2      1.106 CV     1
 OR { 2411}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 70   and name HG2%)
 OR { 2411}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2416}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.600     2.700     1.400 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.35377E-03 ppm1      6.892 ppm2      0.772 CV     1
 OR { 2416}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 2416}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2417}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.900     3.000     1.100 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.22429E-03 ppm1      6.894 ppm2      0.890 CV     1
 OR { 2417}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 2417}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2418}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HG  ))
      4.800     2.800     1.200 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.27736E-03 ppm1      6.894 ppm2      0.978 CV     1
 OR { 2418}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 2422}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
      4.200     2.200     1.800 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.19288E-03 ppm1      7.344 ppm2      0.894 CV     1
 OR { 2422}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2422}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2424}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.800     1.800     1.800 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.69095E-03 ppm1      7.350 ppm2      1.394 CV     1
 OR { 2424}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2431}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.21245E-02 ppm1      7.217 ppm2      1.387 CV     1
 OR { 2431}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2433}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.19498E-02 ppm1      7.218 ppm2      0.893 CV     1
 OR { 2433}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 OR { 2433}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2434}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.79217E-03 ppm1      7.218 ppm2      0.794 CV     1
 OR { 2434}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 OR { 2434}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2437}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.19234E-02 ppm1      7.217 ppm2      2.036 CV     1
 OR { 2437}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2437}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2438}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
      3.300     1.400     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10930E-02 ppm1      7.217 ppm2      1.900 CV     1
 OR { 2438}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 2439}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.70463E-03 ppm1      7.216 ppm2      3.299 CV     1
 OR { 2439}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2447}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.15539E-02 ppm1      6.929 ppm2      0.885 CV     1
 OR { 2447}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2452}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.82591E-03 ppm1      6.974 ppm2      1.065 CV     1
 OR { 2452}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2452}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2452}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2452}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2455}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
      4.200     2.200     1.800 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.82612E-03 ppm1      6.930 ppm2      1.122 CV     1
 OR { 2455}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2456}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.87492E-03 ppm1      6.928 ppm2      0.984 CV     1
 OR { 2456}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 33   and name HD1%)
 OR { 2456}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2457}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      4.700     2.800     1.300 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.28168E-03 ppm1      7.115 ppm2      1.331 CV     1
 OR { 2457}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2459}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG1%)
      4.700     2.700     1.300 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.48507E-03 ppm1      7.118 ppm2      1.108 CV     1
 OR { 2459}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 48   and name HG2%)
 OR { 2459}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2461}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.600     0.900     0.900 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.53245E-02 ppm1      6.975 ppm2      1.531 CV     1
 OR { 2461}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 ASSI { 2464}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.800     2.900     1.200 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.37887E-03 ppm1      7.118 ppm2      1.535 CV     1
 OR { 2464}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 OR { 2464}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2467}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 68   and name HB  ))
      5.300     3.500     0.700 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.25086E-03 ppm1      7.116 ppm2      2.437 CV     1
 OR { 2467}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HB  ))
 OR { 2467}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2470}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.11248E-02 ppm1      7.119 ppm2      2.785 CV     1
 OR { 2470}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HD2 ))
 ASSI { 2471}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HD2 ))
      5.000     3.200     1.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.35293E-03 ppm1      6.931 ppm2      2.787 CV     1
 OR { 2471}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 2479}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.82525E-03 ppm1      6.972 ppm2      4.376 CV     1
 OR { 2479}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 OR { 2479}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
 OR { 2479}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2482}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      6.931 ppm2      4.383 CV     1
 OR { 2482}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2488}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HN  ))
      5.100     3.300     0.900 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.21593E-03 ppm1      6.930 ppm2      7.709 CV     1
 OR { 2488}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2494}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      5.100     3.200     0.900 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.22984E-03 ppm1      6.933 ppm2      8.469 CV     1
 OR { 2494}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2496}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.700     1.700     1.700 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.92341E-03 ppm1      7.443 ppm2      0.882 CV     1
 OR { 2496}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2497}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
      3.900     1.900     1.900 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      7.308 ppm2      1.065 CV     1
 OR { 2497}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2497}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2497}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2498}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.15332E-02 ppm1      7.309 ppm2      0.888 CV     1
 OR { 2498}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2499}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
      3.800     1.800     1.800 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.52643E-03 ppm1      7.312 ppm2      0.793 CV     1
 OR { 2499}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2502}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG1 ))
      3.300     1.400     1.400 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.78155E-03 ppm1      7.443 ppm2      1.383 CV     1
 OR { 2502}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2503}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.93576E-03 ppm1      7.307 ppm2      1.383 CV     1
 OR { 2503}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.72581E-03 ppm1      7.442 ppm2      4.099 CV     1
 OR { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA2 ))
 OR { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 2522}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.41170E-03 ppm1      7.309 ppm2      4.362 CV     1
 OR { 2522}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 2534}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      3.000     1.100     1.100 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.12235E-02 ppm1      1.942 ppm2      0.873 CV     1
 OR { 2534}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2537}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.94260E-03 ppm1      1.529 ppm2      2.328 CV     1
 OR { 2537}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 OR { 2537}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2538}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.700     1.700     1.700 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.66190E-03 ppm1      1.529 ppm2      2.749 CV     1
 OR { 2538}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2543}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.89340E-02 ppm1      1.392 ppm2      8.221 CV     1
 OR { 2543}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2547}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      1.674 ppm2      8.405 CV     1
 OR { 2547}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2549}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.700     1.300 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.32407E-03 ppm1      1.673 ppm2      7.827 CV     1
 OR { 2549}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2559}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.70315E-03 ppm1      1.524 ppm2      7.790 CV     1
 OR { 2559}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2570}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HD1 ))
      4.600     2.600     1.400 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.32323E-03 ppm1      1.677 ppm2      3.458 CV     1
 OR { 2570}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 2571}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.21019E-03 ppm1      1.528 ppm2      3.310 CV     1
 OR { 2571}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 2572}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.400     2.400     1.600 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.85450E-03 ppm1      1.674 ppm2      2.206 CV     1
 OR { 2572}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2582}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.40076E-03 ppm1      1.064 ppm2      8.458 CV     1
 OR { 2582}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2583}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.600     1.600 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.50105E-03 ppm1      1.212 ppm2      8.020 CV     1
 OR { 2583}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2588}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 70   and name HG2%)
      4.200     2.200     1.800 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.95710E-03 ppm1      1.948 ppm2      1.079 CV     1
 OR { 2588}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 2593}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.900     0.500     0.500 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.83985E-02 ppm1      2.352 ppm2      2.486 CV     1
 OR { 2593}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 2602}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD2%)
      2.800     0.900     0.900 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.44777E-02 ppm1      1.648 ppm2      0.981 CV     1
 OR { 2602}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {   12}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.13994E-02 ppm1      7.722 ppm2      4.367 CV     1
 OR {   12}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {   20}
   (( segid "    " and resid 11   and name HE  ))
   (  segid "    " and resid 15   and name HG2%)
      3.400     3.400     2.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.52378E-03 ppm1      7.328 ppm2      1.139 CV     1
 OR {   20}
   (( segid "    " and resid 11   and name HE  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {   56}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.300     2.400     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.23639E-03 ppm1      8.032 ppm2      1.055 CV     1
 OR {   56}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   56}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {   56}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {   57}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.500     2.500     1.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.44276E-03 ppm1      8.031 ppm2      0.979 CV     1
 OR {   57}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {   57}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   66}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.200     2.200     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.47182E-03 ppm1      8.032 ppm2      4.450 CV     1
 OR {   66}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {   74}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.30587E-02 ppm1      8.249 ppm2      7.840 CV     1
 OR {   74}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   77}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
      3.300     1.400     1.400 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10609E-02 ppm1      7.675 ppm2      1.585 CV     1
 OR {   77}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG  ))
 OR {   77}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   80}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD1%)
      4.300     2.300     1.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.69289E-03 ppm1      7.676 ppm2      0.967 CV     1
 OR {   80}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {   81}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD1%)
      3.000     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.15432E-02 ppm1      7.675 ppm2      0.882 CV     1
 OR {   81}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 78   and name HG2%)
 OR {   81}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {   95}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 82   and name HD1%)
      3.800     1.800     1.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.58488E-03 ppm1      7.329 ppm2      0.967 CV     1
 OR {   95}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {   96}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
      3.600     1.600     1.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.89222E-03 ppm1      7.335 ppm2      0.884 CV     1
 OR {   96}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  113}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HA  ))
      4.600     2.600     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.25961E-03 ppm1      7.328 ppm2      4.511 CV     1
 OR {  113}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  124}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
      2.200     0.600     0.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10842E-01 ppm1      7.971 ppm2      4.094 CV     1
 OR {  124}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  124}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  125}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12286E-02 ppm1      7.971 ppm2      4.677 CV     1
 OR {  125}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  128}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.300     2.300     1.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.52449E-03 ppm1      8.421 ppm2      0.973 CV     1
 OR {  128}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  128}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  130}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.200     2.200     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      8.422 ppm2      1.624 CV     1
 OR {  130}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  137}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      8.424 ppm2      4.485 CV     1
 OR {  137}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  151}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.600     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      8.050 ppm2      1.630 CV     1
 OR {  151}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  159}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.200     2.200     1.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.52908E-03 ppm1      7.524 ppm2      2.783 CV     1
 OR {  159}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  166}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.50931E-02 ppm1      7.526 ppm2      4.095 CV     1
 OR {  166}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  166}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  169}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.81897E-03 ppm1      7.529 ppm2      8.136 CV     1
 OR {  169}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  176}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      7.721 ppm2      3.098 CV     1
 OR {  176}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  177}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.85705E-03 ppm1      7.720 ppm2      2.998 CV     1
 OR {  177}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  180}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.700     1.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      7.719 ppm2      4.374 CV     1
 OR {  180}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  184}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17291E-02 ppm1      8.043 ppm2      4.251 CV     1
 OR {  184}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.85562E-02 ppm1      8.043 ppm2      4.111 CV     1
 OR {  185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  186}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.92887E-03 ppm1      8.043 ppm2      2.766 CV     1
 OR {  186}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  191}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.400     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.40442E-03 ppm1      7.718 ppm2      8.462 CV     1
 OR {  191}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  194}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak   194 spectrum    1 weight  0.10000E+01 volume  0.25730E-02 ppm1      8.131 ppm2      4.097 CV     1
 OR {  194}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  194}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  194}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  199}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.900     1.900     1.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.86940E-03 ppm1      8.128 ppm2      0.983 CV     1
 OR {  199}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  199}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  201}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.12180E-02 ppm1      7.822 ppm2      4.397 CV     1
 OR {  201}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  201}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  201}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  209}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.31167E-02 ppm1      7.823 ppm2      8.222 CV     1
 OR {  209}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  213}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      5.600     3.900     0.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.17235E-03 ppm1      7.823 ppm2      2.617 CV     1
 OR {  213}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI {  224}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.38806E-02 ppm1      8.926 ppm2      4.272 CV     1
 OR {  224}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  228}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.47921E-02 ppm1      8.249 ppm2      8.490 CV     1
 OR {  228}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.700     1.700     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.45124E-03 ppm1      8.250 ppm2      4.069 CV     1
 OR {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 OR {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 OR {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  233}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      5.200     3.400     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.18397E-03 ppm1      8.926 ppm2      1.523 CV     1
 OR {  233}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  244}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.30096E-03 ppm1      9.037 ppm2      0.791 CV     1
 OR {  244}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  245}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.200     2.200     1.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.46224E-03 ppm1      7.301 ppm2      0.972 CV     1
 OR {  245}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  245}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  245}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  264}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.100     1.200     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      8.842 ppm2      1.400 CV     1
 OR {  264}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  266}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.61750E-03 ppm1      8.839 ppm2      0.791 CV     1
 OR {  266}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  275}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.100     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.11907E-01 ppm1      7.979 ppm2      2.037 CV     1
 OR {  275}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  275}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  277}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.17205E-02 ppm1      7.978 ppm2      1.688 CV     1
 OR {  277}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  279}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.400     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.69258E-03 ppm1      7.978 ppm2      1.142 CV     1
 OR {  279}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  287}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     3.200     2.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.86680E-03 ppm1      7.977 ppm2      8.249 CV     1
 OR {  287}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 OR {  287}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  288}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.300     3.300     2.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.42297E-03 ppm1      7.979 ppm2      2.713 CV     1
 OR {  288}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  288}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  294}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      5.000     3.100     1.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.28150E-03 ppm1      8.843 ppm2      1.580 CV     1
 OR {  294}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  294}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  295}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      5.100     3.300     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.30205E-03 ppm1      8.842 ppm2      2.717 CV     1
 OR {  295}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  295}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  296}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.600     2.600     1.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.38494E-03 ppm1      8.139 ppm2      4.733 CV     1
 OR {  296}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  306}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.28791E-02 ppm1      8.626 ppm2      2.746 CV     1
 OR {  306}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  308}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.100     1.200     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      8.625 ppm2      2.835 CV     1
 OR {  308}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  317}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.15063E-02 ppm1      8.463 ppm2      1.068 CV     1
 OR {  317}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  317}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  321}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.37367E-02 ppm1      8.626 ppm2      4.521 CV     1
 OR {  321}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  342}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.300     2.300     1.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.43668E-03 ppm1      7.484 ppm2      0.972 CV     1
 OR {  342}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  342}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  342}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  358}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.900     1.900     1.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.96486E-03 ppm1      8.484 ppm2      0.981 CV     1
 OR {  358}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  364}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.700     1.700     1.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.70836E-03 ppm1      7.749 ppm2      4.474 CV     1
 OR {  364}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  372}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.600     1.600     1.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.24555E-03 ppm1      7.750 ppm2      0.984 CV     1
 OR {  372}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  372}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  380}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.45450E-02 ppm1      9.558 ppm2      4.367 CV     1
 OR {  380}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  382}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.23010E-02 ppm1      9.557 ppm2      3.094 CV     1
 OR {  382}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  384}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.56548E-03 ppm1      9.557 ppm2      7.728 CV     1
 OR {  384}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  387}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.000     3.200     1.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.37823E-03 ppm1      9.556 ppm2      3.003 CV     1
 OR {  387}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  389}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      5.100     3.300     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.21323E-03 ppm1      9.562 ppm2      1.072 CV     1
 OR {  389}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  391}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27071E-02 ppm1      8.999 ppm2      1.623 CV     1
 OR {  391}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  418}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.57058E-03 ppm1      9.002 ppm2      4.236 CV     1
 OR {  418}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  422}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.400     1.400 peak   422 spectrum    1 weight  0.10000E+01 volume  0.64547E-03 ppm1      8.696 ppm2      0.883 CV     1
 OR {  422}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  422}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  424}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.400     1.400     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.78191E-03 ppm1      8.995 ppm2      1.062 CV     1
 OR {  424}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  424}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  424}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  429}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.85572E-03 ppm1      8.882 ppm2      0.792 CV     1
 OR {  429}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  430}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.200     2.200     1.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.75460E-03 ppm1      8.882 ppm2      0.971 CV     1
 OR {  430}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  430}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  434}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.100     2.100     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.92795E-03 ppm1      9.000 ppm2      2.258 CV     1
 OR {  434}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  436}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15353E-02 ppm1      7.562 ppm2      4.368 CV     1
 OR {  436}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  441}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.300     1.300     1.300 peak   441 spectrum    1 weight  0.10000E+01 volume  0.16333E-02 ppm1      7.564 ppm2      2.160 CV     1
 OR {  441}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  445}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.100     2.100     1.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.79585E-03 ppm1      7.561 ppm2      1.064 CV     1
 OR {  445}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  446}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.600     0.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.62913E-02 ppm1      7.562 ppm2      7.723 CV     1
 OR {  446}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  448}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.83199E-03 ppm1      7.563 ppm2      8.466 CV     1
 OR {  448}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  450}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.500     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.15774E-02 ppm1      8.402 ppm2      1.127 CV     1
 OR {  450}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  451}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.900     1.900     1.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.10448E-02 ppm1      8.403 ppm2      1.042 CV     1
 OR {  451}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  451}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  452}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      3.600     1.600     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.14174E-02 ppm1      8.403 ppm2      0.887 CV     1
 OR {  452}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  456}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.000     1.100     1.100 peak   456 spectrum    1 weight  0.10000E+01 volume  0.34866E-02 ppm1      8.401 ppm2      1.889 CV     1
 OR {  456}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  460}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.400     2.400     1.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.43771E-03 ppm1      8.324 ppm2      1.645 CV     1
 OR {  460}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  461}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.900     1.900     1.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.12567E-02 ppm1      8.323 ppm2      1.529 CV     1
 OR {  461}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 OR {  461}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  467}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.33312E-02 ppm1      8.402 ppm2      4.401 CV     1
 OR {  467}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  474}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     0.600     0.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.64807E-02 ppm1      7.512 ppm2      8.043 CV     1
 OR {  474}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  479}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22000E-02 ppm1      7.407 ppm2      4.524 CV     1
 OR {  479}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  483}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.24086E-02 ppm1      7.512 ppm2      3.306 CV     1
 OR {  483}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  484}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.800     2.900     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.34270E-03 ppm1      7.509 ppm2      3.027 CV     1
 OR {  484}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  487}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.78288E-03 ppm1      7.406 ppm2      2.745 CV     1
 OR {  487}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  498}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.700     2.800     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.57758E-03 ppm1      8.405 ppm2      2.275 CV     1
 OR {  498}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  504}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.200     1.300     1.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.62770E-03 ppm1      8.976 ppm2      1.650 CV     1
 OR {  504}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  507}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.500     2.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.79483E-03 ppm1      8.977 ppm2      1.040 CV     1
 OR {  507}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  508}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.900     3.000     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.46971E-03 ppm1      8.976 ppm2      0.945 CV     1
 OR {  508}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  509}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.100     2.100     1.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.91728E-03 ppm1      8.977 ppm2      0.864 CV     1
 OR {  509}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  510}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20648E-02 ppm1      8.977 ppm2      4.261 CV     1
 OR {  510}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  511}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.37022E-02 ppm1      8.977 ppm2      4.095 CV     1
 OR {  511}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  511}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  518}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.200     0.600     0.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.10778E-01 ppm1      8.236 ppm2      4.266 CV     1
 OR {  518}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  518}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  518}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  519}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.300     1.300 peak   519 spectrum    1 weight  0.10000E+01 volume  0.15194E-02 ppm1      8.234 ppm2      3.956 CV     1
 OR {  519}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  520}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   520 spectrum    1 weight  0.10000E+01 volume  0.12803E-02 ppm1      8.237 ppm2      3.901 CV     1
 OR {  520}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  523}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     1.200     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.57110E-02 ppm1      8.237 ppm2      2.340 CV     1
 OR {  523}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  523}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  524}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.000     2.000     2.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      8.236 ppm2      2.200 CV     1
 OR {  524}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  524}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  524}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  525}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.12157E-01 ppm1      8.235 ppm2      1.647 CV     1
 OR {  525}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  526}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak   526 spectrum    1 weight  0.10000E+01 volume  0.64613E-02 ppm1      8.236 ppm2      1.526 CV     1
 OR {  526}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  530}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.500     2.600     1.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.42753E-03 ppm1      8.240 ppm2      1.080 CV     1
 OR {  530}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  530}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 42   and name H31%)
 OR {  530}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  531}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      5.000     3.200     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.28211E-03 ppm1      8.237 ppm2      0.972 CV     1
 OR {  531}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  531}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  531}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  531}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  531}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  531}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  531}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  533}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.80105E-03 ppm1      8.977 ppm2      8.131 CV     1
 OR {  533}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 OR {  533}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  538}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.100     2.100     1.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.11218E-02 ppm1      8.839 ppm2      1.398 CV     1
 OR {  538}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  539}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.000     2.000     2.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.10939E-02 ppm1      8.841 ppm2      1.140 CV     1
 OR {  539}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  540}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.600     2.600     1.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.54333E-03 ppm1      8.840 ppm2      1.048 CV     1
 OR {  540}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  540}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  546}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.23988E-02 ppm1      8.115 ppm2      2.031 CV     1
 OR {  546}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  549}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.40432E-02 ppm1      8.114 ppm2      4.246 CV     1
 OR {  549}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  550}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.74705E-03 ppm1      8.120 ppm2      3.958 CV     1
 OR {  550}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  553}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.300     1.400     1.400 peak   553 spectrum    1 weight  0.10000E+01 volume  0.50078E-03 ppm1      8.457 ppm2      0.790 CV     1
 OR {  553}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  559}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.15880E-02 ppm1      8.842 ppm2      7.338 CV     1
 OR {  559}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  562}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak   562 spectrum    1 weight  0.10000E+01 volume  0.11260E-02 ppm1      8.455 ppm2      4.403 CV     1
 OR {  562}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  564}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      4.100     2.100     1.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.13679E-02 ppm1      7.711 ppm2      1.051 CV     1
 OR {  564}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  564}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  564}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  566}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.40244E-02 ppm1      7.709 ppm2      2.030 CV     1
 OR {  566}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  566}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  566}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  575}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     1.800     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.18770E-02 ppm1      8.220 ppm2      1.124 CV     1
 OR {  575}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  577}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.300     1.400     1.400 peak   577 spectrum    1 weight  0.10000E+01 volume  0.28484E-02 ppm1      8.279 ppm2      0.980 CV     1
 OR {  577}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  577}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  577}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  578}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.600     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      8.277 ppm2      0.873 CV     1
 OR {  578}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  578}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  582}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   582 spectrum    1 weight  0.10000E+01 volume  0.82673E-02 ppm1      8.277 ppm2      1.934 CV     1
 OR {  582}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  585}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.39513E-02 ppm1      8.279 ppm2      1.628 CV     1
 OR {  585}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  586}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.600     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.24464E-02 ppm1      8.279 ppm2      1.554 CV     1
 OR {  586}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI {  588}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.600     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.76027E-02 ppm1      8.220 ppm2      2.270 CV     1
 OR {  588}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  592}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.400     1.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.17827E-02 ppm1      8.250 ppm2      1.397 CV     1
 OR {  592}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  595}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.200     1.200 peak   595 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      8.220 ppm2      4.402 CV     1
 OR {  595}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  597}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.900     1.900     1.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.73337E-03 ppm1      8.220 ppm2      4.037 CV     1
 OR {  597}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  600}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   600 spectrum    1 weight  0.10000E+01 volume  0.17062E-02 ppm1      8.278 ppm2      4.910 CV     1
 OR {  600}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   602 spectrum    1 weight  0.10000E+01 volume  0.21672E-02 ppm1      8.275 ppm2      4.294 CV     1
 OR {  602}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  602}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  605}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.29781E-02 ppm1      8.220 ppm2      7.824 CV     1
 OR {  605}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  608}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.32833E-02 ppm1      8.219 ppm2      8.449 CV     1
 OR {  608}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  616}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.61770E-03 ppm1      7.889 ppm2      8.843 CV     1
 OR {  616}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  619}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.000     2.000     2.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.30571E-03 ppm1      8.839 ppm2      2.716 CV     1
 OR {  619}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  619}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  620}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.21368E-02 ppm1      8.460 ppm2      8.223 CV     1
 OR {  620}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  620}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  626}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.700     2.700     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.60744E-03 ppm1      7.891 ppm2      1.585 CV     1
 OR {  626}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  626}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  627}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.900     1.900     1.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.54522E-03 ppm1      7.891 ppm2      1.408 CV     1
 OR {  627}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  627}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  638}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.100     2.100     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.82219E-03 ppm1      8.514 ppm2      1.531 CV     1
 OR {  638}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 OR {  638}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  643}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.52903E-02 ppm1      8.415 ppm2      2.213 CV     1
 OR {  643}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  644}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     3.500     2.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.55747E-03 ppm1      8.416 ppm2      2.119 CV     1
 OR {  644}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  645}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.700     0.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.55149E-02 ppm1      8.415 ppm2      2.041 CV     1
 OR {  645}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  648}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.58202E-02 ppm1      8.516 ppm2      2.348 CV     1
 OR {  648}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  651}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.400     2.500     1.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.24267E-03 ppm1      8.515 ppm2      1.055 CV     1
 OR {  651}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  651}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  651}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  651}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  652}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.36302E-02 ppm1      8.516 ppm2      4.243 CV     1
 OR {  652}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  654}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   654 spectrum    1 weight  0.10000E+01 volume  0.13974E-02 ppm1      8.415 ppm2      3.954 CV     1
 OR {  654}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  658}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   658 spectrum    1 weight  0.10000E+01 volume  0.39818E-02 ppm1      8.511 ppm2      8.235 CV     1
 OR {  658}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  663}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.49726E-02 ppm1      7.713 ppm2      2.428 CV     1
 OR {  663}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  664}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13130E-02 ppm1      7.714 ppm2      2.272 CV     1
 OR {  664}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  666}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.16324E-02 ppm1      7.714 ppm2      1.139 CV     1
 OR {  666}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  667}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.100     2.100     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.11393E-02 ppm1      7.714 ppm2      0.975 CV     1
 OR {  667}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  670}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.54445E-02 ppm1      8.082 ppm2      4.105 CV     1
 OR {  670}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  670}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  673}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.500     2.600     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.73342E-03 ppm1      8.084 ppm2      0.999 CV     1
 OR {  673}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  675}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.800     2.800     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.45780E-03 ppm1      8.080 ppm2      2.787 CV     1
 OR {  675}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  677}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 31   and name HB1 ))
      3.900     1.900     1.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.70295E-03 ppm1      6.893 ppm2      1.644 CV     1
 OR {  677}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  677}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  677}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  683}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.400     1.400     1.400 peak   683 spectrum    1 weight  0.10000E+01 volume  0.16078E-02 ppm1      8.734 ppm2      1.134 CV     1
 OR {  683}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  684}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.81877E-03 ppm1      8.734 ppm2      1.058 CV     1
 OR {  684}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  684}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  685}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.500     2.600     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.61811E-03 ppm1      8.732 ppm2      0.973 CV     1
 OR {  685}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  685}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  688}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.400     1.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.27609E-02 ppm1      8.734 ppm2      1.702 CV     1
 OR {  688}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  694}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.600     0.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.88717E-02 ppm1      8.467 ppm2      1.520 CV     1
 OR {  694}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  700}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.000     2.000     2.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12693E-02 ppm1      8.070 ppm2      1.049 CV     1
 OR {  700}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  700}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  702}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.400     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.75052E-03 ppm1      8.070 ppm2      0.882 CV     1
 OR {  702}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  702}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  703}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.96950E-03 ppm1      7.963 ppm2      0.885 CV     1
 OR {  703}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  704}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.79467E-03 ppm1      8.072 ppm2      0.791 CV     1
 OR {  704}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  712}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.900     1.100     1.100 peak   712 spectrum    1 weight  0.10000E+01 volume  0.21567E-02 ppm1      8.069 ppm2      3.874 CV     1
 OR {  712}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  713}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.900     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.45099E-02 ppm1      8.069 ppm2      3.035 CV     1
 OR {  713}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  715}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   715 spectrum    1 weight  0.10000E+01 volume  0.17252E-02 ppm1      8.070 ppm2      4.565 CV     1
 OR {  715}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  726}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.64634E-03 ppm1      8.736 ppm2      4.229 CV     1
 OR {  726}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  730}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak   730 spectrum    1 weight  0.10000E+01 volume  0.24994E-02 ppm1      8.468 ppm2      4.287 CV     1
 OR {  730}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  730}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  738}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   738 spectrum    1 weight  0.10000E+01 volume  0.18118E-02 ppm1      8.067 ppm2      4.369 CV     1
 OR {  738}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  741}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak   741 spectrum    1 weight  0.10000E+01 volume  0.46482E-02 ppm1      8.067 ppm2      7.720 CV     1
 OR {  741}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  755}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.13304E-02 ppm1      8.041 ppm2      3.294 CV     1
 OR {  755}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  767}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.800     2.900     1.200 peak   767 spectrum    1 weight  0.10000E+01 volume  0.45740E-03 ppm1      8.038 ppm2      1.061 CV     1
 OR {  767}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  767}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  773}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.24843E-02 ppm1      7.213 ppm2      1.064 CV     1
 OR {  773}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  778}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   778 spectrum    1 weight  0.10000E+01 volume  0.65083E-03 ppm1      7.213 ppm2      3.304 CV     1
 OR {  778}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  779}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.200     2.200     1.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.62143E-03 ppm1      7.213 ppm2      3.033 CV     1
 OR {  779}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  786}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.700     2.800     1.300 peak   786 spectrum    1 weight  0.10000E+01 volume  0.48335E-03 ppm1      7.212 ppm2      2.176 CV     1
 OR {  786}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  788}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.900     1.900     1.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.19150E-02 ppm1      8.014 ppm2      0.966 CV     1
 OR {  788}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  788}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  798}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.28597E-02 ppm1      8.822 ppm2      2.837 CV     1
 OR {  798}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  799}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.41408E-02 ppm1      8.823 ppm2      2.747 CV     1
 OR {  799}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  802}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      4.200     2.200     1.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.66844E-03 ppm1      8.764 ppm2      1.636 CV     1
 OR {  802}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  815}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   815 spectrum    1 weight  0.10000E+01 volume  0.17690E-02 ppm1      8.765 ppm2      4.264 CV     1
 OR {  815}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  816}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.40001E-02 ppm1      8.765 ppm2      3.955 CV     1
 OR {  816}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  829}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.14003E-02 ppm1      8.473 ppm2      1.082 CV     1
 OR {  829}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  829}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  847}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.13171E-02 ppm1      7.840 ppm2      4.055 CV     1
 OR {  847}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR {  847}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  865}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      5.300     3.500     0.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.23889E-03 ppm1      8.822 ppm2      1.036 CV     1
 OR {  865}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  866}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.400     2.400     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.25525E-03 ppm1      8.764 ppm2      2.349 CV     1
 OR {  866}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {  866}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  867}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.700     2.700     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.33690E-03 ppm1      8.767 ppm2      2.206 CV     1
 OR {  867}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  867}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  882}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.100     2.100     1.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.90728E-03 ppm1      7.779 ppm2      1.522 CV     1
 OR {  882}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  885}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.100     1.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.91152E-03 ppm1      7.590 ppm2      0.978 CV     1
 OR {  885}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  885}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  885}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  892}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.57768E-03 ppm1      7.837 ppm2      4.229 CV     1
 OR {  892}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  895}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.51061E-02 ppm1      7.780 ppm2      4.275 CV     1
 OR {  895}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  898}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
      4.300     2.300     1.700 peak   898 spectrum    1 weight  0.10000E+01 volume  0.29322E-03 ppm1      7.780 ppm2      3.911 CV     1
 OR {  898}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  901}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.58360E-03 ppm1      7.589 ppm2      4.285 CV     1
 OR {  901}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  914}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.13273E-02 ppm1      8.148 ppm2      0.968 CV     1
 OR {  914}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  919}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      3.300     3.300     2.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.88314E-03 ppm1      9.431 ppm2      1.707 CV     1
 OR {  919}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  920}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      2.300     0.700     0.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.45835E-02 ppm1      9.432 ppm2      1.585 CV     1
 OR {  920}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  920}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  923}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.300     1.300     1.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.19437E-02 ppm1      9.433 ppm2      0.980 CV     1
 OR {  923}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  924}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.900     1.900     1.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.15885E-02 ppm1      9.433 ppm2      0.884 CV     1
 OR {  924}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  925}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.62852E-03 ppm1      9.432 ppm2      0.792 CV     1
 OR {  925}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  934}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.100     2.100     1.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      8.144 ppm2      1.024 CV     1
 OR {  934}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  952}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.69008E-03 ppm1      8.480 ppm2      8.257 CV     1
 OR {  952}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {    5}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      4.300     2.300     1.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.99513E-03 ppm1      2.833 ppm2      1.076 CV     1
 OR {    5}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    5}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    5}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    5}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    5}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    5}
   (( segid "    " and resid 63   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    5}
   (( segid "    " and resid 63   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    6}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      4.000     2.000     2.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11748E-02 ppm1      2.759 ppm2      1.075 CV     1
 OR {    6}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    6}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    6}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    6}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    6}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    6}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    6}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   13}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
      3.900     1.900     1.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.21653E-02 ppm1      4.269 ppm2      0.938 CV     1
 OR {   13}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   13}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   13}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   13}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   13}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   13}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   14}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
      4.400     2.400     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.16901E-02 ppm1      4.266 ppm2      1.076 CV     1
 OR {   14}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   14}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   14}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   14}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   14}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   14}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   14}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/mv/talos/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -116  44 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -81  48 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -99  40 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -73  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -94  44 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -87  56 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -100  30 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0  83  28 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -107  50 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -97  20 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -131  36 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -103  38 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -104  50 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -106  62 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -106  48 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -58  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -74  30 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 128  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 144  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 169  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -39  22 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -41  24 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -26  28 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -15  54 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 153  30 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0   4  28 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0  14  36 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 133  30 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -38  22 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0   3  26 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 155  20 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 132  28 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 131  34 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 134  20 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -31  32 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -39  26 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -25  24 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 146  40 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 155  26 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -47  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -38  32 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -24  42 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  17.521  -6.996  -0.859
    2    H2   MET   1           HT2      MET   1  16.869  -8.380  -1.555
    3    H3   MET   1           HT3      MET   1  18.523  -8.105  -1.669
    4    HA   MET   1           HA       MET   1  17.999  -9.769  -0.005
    5    HB2  MET   1           HB2      MET   1  18.725  -7.136   1.313
    6    HB3  MET   1           HB1      MET   1  18.920  -8.716   2.056
    7    HG2  MET   1           HG2      MET   1  20.350  -7.667  -0.373
    8    HG3  MET   1           HG1      MET   1  21.034  -7.941   1.231
    9    HE1  MET   1           HE1      MET   1  22.765 -10.714  -0.934
   10    HE2  MET   1           HE2      MET   1  23.018  -9.371   0.182
   11    HE3  MET   1           HE3      MET   1  22.361  -9.069  -1.426
   12    H    ALA   2           HN       ALA   2  16.127  -6.777   0.376
   13    HA   ALA   2           HA       ALA   2  14.399  -7.994   2.332
   14    HB1  ALA   2           HB1      ALA   2  14.138  -5.423   0.756
   15    HB2  ALA   2           HB2      ALA   2  14.826  -5.572   2.374
   16    HB3  ALA   2           HB3      ALA   2  13.116  -5.903   2.110
   17    H    THR   3           HN       THR   3  12.252  -8.710   1.911
   18    HA   THR   3           HA       THR   3  11.909  -9.916  -0.593
   19    HB   THR   3           HB       THR   3   9.615 -10.345   0.691
   20    HG1  THR   3           HG1      THR   3   9.744  -9.940   2.808
   21   HG21  THR   3          HG21      THR   3  11.313 -12.047   0.139
   22   HG22  THR   3          HG22      THR   3  10.710 -12.266   1.782
   23   HG23  THR   3          HG23      THR   3  12.285 -11.520   1.513
   24    H    LEU   4           HN       LEU   4  11.345  -8.743  -2.294
   25    HA   LEU   4           HA       LEU   4   9.956  -6.301  -2.361
   26    HB2  LEU   4           HB2      LEU   4  10.070  -8.449  -4.492
   27    HB3  LEU   4           HB1      LEU   4   9.580  -6.790  -4.747
   28    HG   LEU   4           HG       LEU   4  12.348  -7.686  -3.944
   29   HD11  LEU   4          HD11      LEU   4  12.976  -7.018  -6.210
   30   HD12  LEU   4          HD12      LEU   4  11.285  -6.680  -6.578
   31   HD13  LEU   4          HD13      LEU   4  11.797  -8.329  -6.221
   32   HD21  LEU   4          HD21      LEU   4  11.295  -4.960  -4.702
   33   HD22  LEU   4          HD22      LEU   4  12.984  -5.361  -4.387
   34   HD23  LEU   4          HD23      LEU   4  11.795  -5.466  -3.087
   35    H    LEU   5           HN       LEU   5   7.845  -5.830  -2.268
   36    HA   LEU   5           HA       LEU   5   6.008  -7.599  -1.145
   37    HB2  LEU   5           HB2      LEU   5   5.369  -5.113  -2.717
   38    HB3  LEU   5           HB1      LEU   5   4.293  -5.958  -1.637
   39    HG   LEU   5           HG       LEU   5   6.805  -4.516  -0.834
   40   HD11  LEU   5          HD11      LEU   5   5.004  -3.059  -1.599
   41   HD12  LEU   5          HD12      LEU   5   5.256  -2.922   0.137
   42   HD13  LEU   5          HD13      LEU   5   3.888  -3.852  -0.488
   43   HD21  LEU   5          HD21      LEU   5   6.298  -6.434   0.608
   44   HD22  LEU   5          HD22      LEU   5   4.653  -5.845   0.812
   45   HD23  LEU   5          HD23      LEU   5   6.009  -4.906   1.442
   46    H    THR   6           HN       THR   6   4.860  -9.178  -1.964
   47    HA   THR   6           HA       THR   6   4.471  -9.406  -4.805
   48    HB   THR   6           HB       THR   6   3.459 -11.615  -4.083
   49    HG1  THR   6           HG1      THR   6   4.133 -12.135  -1.804
   50   HG21  THR   6          HG21      THR   6   6.289 -11.049  -3.155
   51   HG22  THR   6          HG22      THR   6   5.814 -11.455  -4.805
   52   HG23  THR   6          HG23      THR   6   5.627 -12.645  -3.515
   53    H    THR   7           HN       THR   7   2.025 -10.634  -4.939
   54    HA   THR   7           HA       THR   7   0.222  -8.500  -4.576
   55    HB   THR   7           HB       THR   7  -1.395 -10.503  -5.204
   56    HG1  THR   7           HG1      THR   7  -0.360 -12.262  -5.987
   57   HG21  THR   7          HG21      THR   7  -0.842  -8.626  -6.677
   58   HG22  THR   7          HG22      THR   7  -0.847 -10.146  -7.577
   59   HG23  THR   7          HG23      THR   7   0.683  -9.401  -7.109
   60    H    ASP   8           HN       ASP   8   0.646 -11.679  -3.036
   61    HA   ASP   8           HA       ASP   8  -1.479 -11.358  -1.191
   62    HB2  ASP   8           HB2      ASP   8   0.946 -13.152  -1.050
   63    HB3  ASP   8           HB1      ASP   8  -0.291 -13.123   0.199
   64    H    ASP   9           HN       ASP   9   1.931 -10.492  -1.025
   65    HA   ASP   9           HA       ASP   9   1.770  -9.922   1.758
   66    HB2  ASP   9           HB2      ASP   9   3.931 -10.370   0.375
   67    HB3  ASP   9           HB1      ASP   9   3.847  -8.650   0.012
   68    H    LEU  10           HN       LEU  10   1.480  -7.927  -1.147
   69    HA   LEU  10           HA       LEU  10   1.237  -5.464   0.216
   70    HB2  LEU  10           HB2      LEU  10   1.667  -5.644  -2.217
   71    HB3  LEU  10           HB1      LEU  10   0.049  -6.277  -2.446
   72    HG   LEU  10           HG       LEU  10  -0.855  -4.114  -1.594
   73   HD11  LEU  10          HD11      LEU  10   0.623  -2.173  -1.515
   74   HD12  LEU  10          HD12      LEU  10   2.014  -3.229  -1.764
   75   HD13  LEU  10          HD13      LEU  10   1.045  -3.377  -0.297
   76   HD21  LEU  10          HD21      LEU  10  -0.393  -2.854  -3.645
   77   HD22  LEU  10          HD22      LEU  10  -0.706  -4.556  -3.984
   78   HD23  LEU  10          HD23      LEU  10   0.947  -3.941  -4.008
   79    H    ARG  11           HN       ARG  11  -1.040  -7.966  -0.689
   80    HA   ARG  11           HA       ARG  11  -3.415  -6.654   0.009
   81    HB2  ARG  11           HB2      ARG  11  -3.209  -8.772  -1.346
   82    HB3  ARG  11           HB1      ARG  11  -2.813  -9.630   0.124
   83    HG2  ARG  11           HG2      ARG  11  -5.434  -8.192  -0.243
   84    HG3  ARG  11           HG1      ARG  11  -5.180  -9.845  -0.788
   85    HD2  ARG  11           HD2      ARG  11  -4.877  -8.850   2.044
   86    HD3  ARG  11           HD1      ARG  11  -6.271  -9.726   1.414
   87    HE   ARG  11           HE       ARG  11  -4.049 -11.267   0.875
   88   HH11  ARG  11          HH11      ARG  11  -5.753 -10.079   3.723
   89   HH12  ARG  11          HH12      ARG  11  -5.370 -11.372   4.744
   90   HH21  ARG  11          HH21      ARG  11  -3.469 -13.128   2.277
   91   HH22  ARG  11          HH22      ARG  11  -3.976 -13.111   3.902
   92    H    ARG  12           HN       ARG  12  -1.132  -8.563   1.883
   93    HA   ARG  12           HA       ARG  12  -2.441  -8.682   4.357
   94    HB2  ARG  12           HB2      ARG  12   0.522  -8.379   3.810
   95    HB3  ARG  12           HB1      ARG  12  -0.163  -8.828   5.364
   96    HG2  ARG  12           HG2      ARG  12  -1.030 -10.867   4.432
   97    HG3  ARG  12           HG1      ARG  12  -0.477 -10.396   2.825
   98    HD2  ARG  12           HD2      ARG  12   1.861 -10.422   3.669
   99    HD3  ARG  12           HD1      ARG  12   1.250 -10.980   5.227
  100    HE   ARG  12           HE       ARG  12   0.215 -12.831   3.790
  101   HH11  ARG  12          HH11      ARG  12   3.488 -11.469   3.233
  102   HH12  ARG  12          HH12      ARG  12   4.078 -12.899   2.581
  103   HH21  ARG  12          HH21      ARG  12   1.060 -14.735   2.872
  104   HH22  ARG  12          HH22      ARG  12   2.695 -14.816   2.373
  105    H    ALA  13           HN       ALA  13  -0.335  -6.208   3.026
  106    HA   ALA  13           HA       ALA  13  -0.279  -4.478   5.230
  107    HB1  ALA  13           HB1      ALA  13   0.482  -2.786   3.672
  108    HB2  ALA  13           HB2      ALA  13  -0.025  -3.791   2.312
  109    HB3  ALA  13           HB3      ALA  13   1.283  -4.324   3.366
  110    H    LEU  14           HN       LEU  14  -2.417  -4.549   2.401
  111    HA   LEU  14           HA       LEU  14  -3.936  -2.299   3.199
  112    HB2  LEU  14           HB2      LEU  14  -4.379  -4.424   1.145
  113    HB3  LEU  14           HB1      LEU  14  -5.715  -3.394   1.592
  114    HG   LEU  14           HG       LEU  14  -4.740  -2.572  -0.417
  115   HD11  LEU  14          HD11      LEU  14  -5.575  -0.901   1.079
  116   HD12  LEU  14          HD12      LEU  14  -4.181  -0.284   0.196
  117   HD13  LEU  14          HD13      LEU  14  -4.008  -0.786   1.878
  118   HD21  LEU  14          HD21      LEU  14  -2.112  -2.392   1.056
  119   HD22  LEU  14          HD22      LEU  14  -2.419  -1.780  -0.570
  120   HD23  LEU  14          HD23      LEU  14  -2.499  -3.513  -0.249
  121    H    VAL  15           HN       VAL  15  -4.006  -5.498   4.304
  122    HA   VAL  15           HA       VAL  15  -6.669  -5.241   5.401
  123    HB   VAL  15           HB       VAL  15  -4.519  -7.350   5.873
  124   HG11  VAL  15          HG11      VAL  15  -5.975  -7.149   7.844
  125   HG12  VAL  15          HG12      VAL  15  -6.273  -8.660   6.988
  126   HG13  VAL  15          HG13      VAL  15  -7.396  -7.311   6.812
  127   HG21  VAL  15          HG21      VAL  15  -5.475  -7.384   3.636
  128   HG22  VAL  15          HG22      VAL  15  -7.100  -7.434   4.321
  129   HG23  VAL  15          HG23      VAL  15  -5.998  -8.792   4.564
  130    H    GLU  16           HN       GLU  16  -3.334  -5.276   6.593
  131    HA   GLU  16           HA       GLU  16  -3.849  -4.869   9.287
  132    HB2  GLU  16           HB2      GLU  16  -1.421  -4.035   7.691
  133    HB3  GLU  16           HB1      GLU  16  -1.547  -3.943   9.436
  134    HG2  GLU  16           HG2      GLU  16  -1.995  -6.366   9.511
  135    HG3  GLU  16           HG1      GLU  16  -1.722  -6.430   7.771
  136    H    SER  17           HN       SER  17  -3.791  -2.466   6.729
  137    HA   SER  17           HA       SER  17  -3.650  -0.300   8.475
  138    HB2  SER  17           HB2      SER  17  -4.645   0.906   6.372
  139    HB3  SER  17           HB1      SER  17  -2.995   0.289   6.382
  140    HG   SER  17           HG       SER  17  -5.304  -0.813   5.201
  141    H    ALA  18           HN       ALA  18  -6.302  -2.318   7.743
  142    HA   ALA  18           HA       ALA  18  -8.068  -0.351   9.050
  143    HB1  ALA  18           HB1      ALA  18  -8.791  -0.936   6.777
  144    HB2  ALA  18           HB2      ALA  18  -9.960  -1.461   7.987
  145    HB3  ALA  18           HB3      ALA  18  -8.871  -2.633   7.243
  146    H    GLY  19           HN       GLY  19  -6.851  -3.602   9.093
  147    HA2  GLY  19           HA2      GLY  19  -6.644  -4.818  11.135
  148    HA3  GLY  19           HA1      GLY  19  -8.127  -4.033  11.703
  149    H    GLU  20           HN       GLU  20 -10.050  -4.463  10.550
  150    HA   GLU  20           HA       GLU  20 -10.188  -7.173   9.455
  151    HB2  GLU  20           HB2      GLU  20 -12.372  -5.263  10.357
  152    HB3  GLU  20           HB1      GLU  20 -12.641  -6.875   9.719
  153    HG2  GLU  20           HG2      GLU  20 -11.222  -6.201  12.284
  154    HG3  GLU  20           HG1      GLU  20 -12.875  -6.786  12.137
  155    H    THR  21           HN       THR  21 -11.043  -7.381   7.343
  156    HA   THR  21           HA       THR  21 -11.666  -4.894   5.956
  157    HB   THR  21           HB       THR  21  -9.706  -6.881   4.801
  158    HG1  THR  21           HG1      THR  21  -9.397  -4.804   6.592
  159   HG21  THR  21          HG21      THR  21  -9.173  -5.028   3.258
  160   HG22  THR  21          HG22      THR  21 -10.364  -4.014   4.070
  161   HG23  THR  21          HG23      THR  21 -10.886  -5.444   3.178
  162    H    ASP  22           HN       ASP  22 -13.743  -5.943   6.260
  163    HA   ASP  22           HA       ASP  22 -14.276  -8.227   4.488
  164    HB2  ASP  22           HB2      ASP  22 -16.493  -8.398   5.476
  165    HB3  ASP  22           HB1      ASP  22 -15.298  -8.337   6.760
  166    H    GLY  23           HN       GLY  23 -16.043  -8.130   3.015
  167    HA2  GLY  23           HA2      GLY  23 -17.516  -7.048   1.543
  168    HA3  GLY  23           HA1      GLY  23 -17.078  -5.510   2.280
  169    H    THR  24           HN       THR  24 -14.455  -5.495   2.062
  170    HA   THR  24           HA       THR  24 -13.870  -4.789  -0.600
  171    HB   THR  24           HB       THR  24 -12.091  -5.285   1.782
  172    HG1  THR  24           HG1      THR  24 -13.851  -3.214   1.135
  173   HG21  THR  24          HG21      THR  24 -11.715  -3.659  -0.731
  174   HG22  THR  24          HG22      THR  24 -10.795  -5.087  -0.244
  175   HG23  THR  24          HG23      THR  24 -10.636  -3.584   0.665
  176    H    ASP  25           HN       ASP  25 -13.994  -6.662  -1.958
  177    HA   ASP  25           HA       ASP  25 -12.523  -9.032  -1.212
  178    HB2  ASP  25           HB2      ASP  25 -14.535  -9.182  -2.713
  179    HB3  ASP  25           HB1      ASP  25 -13.633  -8.303  -3.947
  180    H    LEU  26           HN       LEU  26 -10.512  -8.844  -1.073
  181    HA   LEU  26           HA       LEU  26  -9.094  -6.910  -2.767
  182    HB2  LEU  26           HB2      LEU  26  -9.266  -6.561  -0.296
  183    HB3  LEU  26           HB1      LEU  26  -8.337  -8.023  -0.079
  184    HG   LEU  26           HG       LEU  26  -6.426  -6.950  -1.218
  185   HD11  LEU  26          HD11      LEU  26  -6.498  -4.537  -1.624
  186   HD12  LEU  26          HD12      LEU  26  -8.204  -4.506  -1.177
  187   HD13  LEU  26          HD13      LEU  26  -7.684  -5.382  -2.618
  188   HD21  LEU  26          HD21      LEU  26  -7.578  -5.403   1.103
  189   HD22  LEU  26          HD22      LEU  26  -5.888  -5.427   0.609
  190   HD23  LEU  26          HD23      LEU  26  -6.650  -6.899   1.214
  191    H    SER  27           HN       SER  27  -9.309 -10.221  -1.762
  192    HA   SER  27           HA       SER  27  -6.712 -10.808  -2.887
  193    HB2  SER  27           HB2      SER  27  -8.714 -12.601  -1.510
  194    HB3  SER  27           HB1      SER  27  -7.115 -13.101  -2.056
  195    HG   SER  27           HG       SER  27  -7.752 -11.193  -0.029
  196    H    GLY  28           HN       GLY  28  -7.375 -10.140  -5.025
  197    HA2  GLY  28           HA2      GLY  28  -7.827 -12.276  -6.735
  198    HA3  GLY  28           HA1      GLY  28  -9.389 -11.513  -6.463
  199    H    ASP  29           HN       ASP  29  -6.057 -10.430  -7.005
  200    HA   ASP  29           HA       ASP  29  -5.086  -8.976  -8.416
  201    HB2  ASP  29           HB2      ASP  29  -6.102 -10.363 -10.224
  202    HB3  ASP  29           HB1      ASP  29  -7.529  -9.333 -10.186
  203    H    PHE  30           HN       PHE  30  -5.035  -7.271  -7.134
  204    HA   PHE  30           HA       PHE  30  -7.332  -5.423  -7.187
  205    HB2  PHE  30           HB2      PHE  30  -6.896  -4.938  -4.848
  206    HB3  PHE  30           HB1      PHE  30  -7.149  -6.661  -5.077
  207    HD1  PHE  30           HD2      PHE  30  -5.055  -8.160  -5.173
  208    HD2  PHE  30           HD1      PHE  30  -4.988  -4.138  -3.779
  209    HE1  PHE  30           HE2      PHE  30  -2.929  -8.592  -4.022
  210    HE2  PHE  30           HE1      PHE  30  -2.867  -4.569  -2.626
  211    HZ   PHE  30           HZ       PHE  30  -1.836  -6.798  -2.747
  212    H    LEU  31           HN       LEU  31  -4.713  -5.366  -8.780
  213    HA   LEU  31           HA       LEU  31  -3.187  -3.357  -7.410
  214    HB2  LEU  31           HB2      LEU  31  -2.776  -4.597 -10.130
  215    HB3  LEU  31           HB1      LEU  31  -1.689  -3.449  -9.388
  216    HG   LEU  31           HG       LEU  31  -0.699  -5.541  -9.157
  217   HD11  LEU  31          HD11      LEU  31  -0.581  -5.941  -6.748
  218   HD12  LEU  31          HD12      LEU  31  -1.976  -4.888  -6.523
  219   HD13  LEU  31          HD13      LEU  31  -0.472  -4.234  -7.175
  220   HD21  LEU  31          HD21      LEU  31  -1.765  -7.522  -8.150
  221   HD22  LEU  31          HD22      LEU  31  -2.589  -6.998  -9.619
  222   HD23  LEU  31          HD23      LEU  31  -3.284  -6.630  -8.042
  223    H    ASP  32           HN       ASP  32  -5.517  -3.473 -10.004
  224    HA   ASP  32           HA       ASP  32  -5.025  -0.608 -10.389
  225    HB2  ASP  32           HB2      ASP  32  -5.858  -2.677 -12.373
  226    HB3  ASP  32           HB1      ASP  32  -6.316  -0.996 -12.623
  227    H    LEU  33           HN       LEU  33  -6.940  -2.239  -8.613
  228    HA   LEU  33           HA       LEU  33  -9.354  -0.922  -9.378
  229    HB2  LEU  33           HB2      LEU  33 -10.332  -1.765  -7.230
  230    HB3  LEU  33           HB1      LEU  33  -9.761  -2.997  -8.318
  231    HG   LEU  33           HG       LEU  33  -7.753  -3.286  -6.852
  232   HD11  LEU  33          HD11      LEU  33  -7.723  -1.106  -5.758
  233   HD12  LEU  33          HD12      LEU  33  -7.806  -2.416  -4.579
  234   HD13  LEU  33          HD13      LEU  33  -9.253  -1.481  -4.964
  235   HD21  LEU  33          HD21      LEU  33  -9.667  -4.762  -6.709
  236   HD22  LEU  33          HD22      LEU  33 -10.450  -3.666  -5.575
  237   HD23  LEU  33          HD23      LEU  33  -8.962  -4.499  -5.113
  238    H    ARG  34           HN       ARG  34 -10.528   0.466  -7.758
  239    HA   ARG  34           HA       ARG  34  -8.593   2.534  -7.077
  240    HB2  ARG  34           HB2      ARG  34 -11.537   2.699  -7.693
  241    HB3  ARG  34           HB1      ARG  34 -10.553   4.067  -7.184
  242    HG2  ARG  34           HG2      ARG  34 -10.095   2.414  -9.662
  243    HG3  ARG  34           HG1      ARG  34 -10.832   4.021  -9.610
  244    HD2  ARG  34           HD2      ARG  34  -8.804   4.987  -8.775
  245    HD3  ARG  34           HD1      ARG  34  -8.074   3.398  -8.581
  246    HE   ARG  34           HE       ARG  34  -8.294   3.271 -11.100
  247   HH11  ARG  34          HH11      ARG  34  -7.932   6.385  -9.455
  248   HH12  ARG  34          HH12      ARG  34  -6.966   7.076 -10.679
  249   HH21  ARG  34          HH21      ARG  34  -6.938   4.173 -12.724
  250   HH22  ARG  34          HH22      ARG  34  -6.361   5.772 -12.604
  251    H    PHE  35           HN       PHE  35  -8.550   3.517  -5.131
  252    HA   PHE  35           HA       PHE  35  -9.221   1.904  -2.924
  253    HB2  PHE  35           HB2      PHE  35  -8.277   4.770  -3.024
  254    HB3  PHE  35           HB1      PHE  35  -8.429   3.821  -1.550
  255    HD1  PHE  35           HD2      PHE  35  -7.158   1.535  -1.577
  256    HD2  PHE  35           HD1      PHE  35  -6.253   4.827  -4.108
  257    HE1  PHE  35           HE2      PHE  35  -4.890   0.653  -1.903
  258    HE2  PHE  35           HE1      PHE  35  -3.984   3.947  -4.444
  259    HZ   PHE  35           HZ       PHE  35  -3.299   1.860  -3.335
  260    H    GLU  36           HN       GLU  36 -10.751   4.570  -4.457
  261    HA   GLU  36           HA       GLU  36 -12.607   5.335  -2.547
  262    HB2  GLU  36           HB2      GLU  36 -13.257   5.082  -5.488
  263    HB3  GLU  36           HB1      GLU  36 -13.968   6.185  -4.329
  264    HG2  GLU  36           HG2      GLU  36 -12.585   7.570  -5.519
  265    HG3  GLU  36           HG1      GLU  36 -11.556   7.137  -4.156
  266    H    ASP  37           HN       ASP  37 -12.704   2.664  -4.835
  267    HA   ASP  37           HA       ASP  37 -15.406   1.900  -4.265
  268    HB2  ASP  37           HB2      ASP  37 -14.391   1.428  -6.433
  269    HB3  ASP  37           HB1      ASP  37 -13.209   0.375  -5.659
  270    H    ILE  38           HN       ILE  38 -12.267   0.947  -3.090
  271    HA   ILE  38           HA       ILE  38 -13.481  -1.224  -1.611
  272    HB   ILE  38           HB       ILE  38 -11.219  -1.799  -0.832
  273   HG12  ILE  38          HG12      ILE  38 -10.287   0.438  -2.654
  274   HG13  ILE  38          HG11      ILE  38 -10.249   0.478  -0.897
  275   HG21  ILE  38          HG21      ILE  38 -11.523  -1.466  -3.815
  276   HG22  ILE  38          HG22      ILE  38 -12.112  -2.819  -2.847
  277   HG23  ILE  38          HG23      ILE  38 -10.374  -2.557  -3.037
  278   HD11  ILE  38          HD11      ILE  38  -8.056  -0.017  -1.820
  279   HD12  ILE  38          HD12      ILE  38  -8.716  -1.427  -2.651
  280   HD13  ILE  38          HD13      ILE  38  -8.667  -1.387  -0.892
  281    H    GLY  39           HN       GLY  39 -13.694   1.746  -1.159
  282    HA2  GLY  39           HA2      GLY  39 -14.121   3.130   0.613
  283    HA3  GLY  39           HA1      GLY  39 -14.295   1.662   1.565
  284    H    TYR  40           HN       TYR  40 -11.485   3.047  -0.081
  285    HA   TYR  40           HA       TYR  40 -10.206   3.027   2.524
  286    HB2  TYR  40           HB2      TYR  40  -9.395   1.736   0.123
  287    HB3  TYR  40           HB1      TYR  40  -8.199   2.962   0.550
  288    HD1  TYR  40           HD2      TYR  40  -9.861  -0.120   1.641
  289    HD2  TYR  40           HD1      TYR  40  -6.912   2.799   2.561
  290    HE1  TYR  40           HE2      TYR  40  -8.980  -1.575   3.421
  291    HE2  TYR  40           HE1      TYR  40  -6.031   1.363   4.338
  292    HH   TYR  40           HH       TYR  40  -6.938  -1.889   4.664
  293    H    ASP  41           HN       ASP  41  -9.586   4.749   3.290
  294    HA   ASP  41           HA       ASP  41  -9.541   7.210   1.752
  295    HB2  ASP  41           HB2      ASP  41  -8.946   6.662   4.673
  296    HB3  ASP  41           HB1      ASP  41  -8.918   8.256   3.935
  297    H    SER  42           HN       SER  42  -7.684   8.413   1.391
  298    HA   SER  42           HA       SER  42  -5.332   6.948   1.085
  299    HB2  SER  42           HB2      SER  42  -4.621   9.563   0.749
  300    HB3  SER  42           HB1      SER  42  -5.365   8.551  -0.498
  301    H    LEU  43           HN       LEU  43  -6.523   9.049   3.559
  302    HA   LEU  43           HA       LEU  43  -4.255   9.298   5.167
  303    HB2  LEU  43           HB2      LEU  43  -7.130   8.909   5.985
  304    HB3  LEU  43           HB1      LEU  43  -5.852   9.402   7.068
  305    HG   LEU  43           HG       LEU  43  -6.844  10.989   4.700
  306   HD11  LEU  43          HD11      LEU  43  -7.765  12.482   6.387
  307   HD12  LEU  43          HD12      LEU  43  -7.240  11.374   7.654
  308   HD13  LEU  43          HD13      LEU  43  -8.469  10.870   6.494
  309   HD21  LEU  43          HD21      LEU  43  -4.863  11.704   6.863
  310   HD22  LEU  43          HD22      LEU  43  -5.470  12.797   5.617
  311   HD23  LEU  43          HD23      LEU  43  -4.482  11.406   5.167
  312    H    ALA  44           HN       ALA  44  -6.445   6.585   4.705
  313    HA   ALA  44           HA       ALA  44  -5.300   5.019   6.821
  314    HB1  ALA  44           HB1      ALA  44  -7.172   4.216   4.591
  315    HB2  ALA  44           HB2      ALA  44  -7.659   4.748   6.202
  316    HB3  ALA  44           HB3      ALA  44  -6.766   3.240   6.003
  317    H    LEU  45           HN       LEU  45  -4.721   5.607   3.500
  318    HA   LEU  45           HA       LEU  45  -3.169   3.287   2.958
  319    HB2  LEU  45           HB2      LEU  45  -3.165   5.998   1.652
  320    HB3  LEU  45           HB1      LEU  45  -2.270   4.615   1.055
  321    HG   LEU  45           HG       LEU  45  -5.267   4.755   1.311
  322   HD11  LEU  45          HD11      LEU  45  -3.474   4.892  -1.107
  323   HD12  LEU  45          HD12      LEU  45  -4.411   6.225  -0.438
  324   HD13  LEU  45          HD13      LEU  45  -5.235   4.829  -1.130
  325   HD21  LEU  45          HD21      LEU  45  -4.393   2.507   1.607
  326   HD22  LEU  45          HD22      LEU  45  -3.437   2.675   0.134
  327   HD23  LEU  45          HD23      LEU  45  -5.200   2.654   0.044
  328    H    MET  46           HN       MET  46  -2.554   6.269   4.531
  329    HA   MET  46           HA       MET  46   0.298   6.095   4.482
  330    HB2  MET  46           HB2      MET  46  -1.442   7.503   6.526
  331    HB3  MET  46           HB1      MET  46   0.275   7.771   6.267
  332    HG2  MET  46           HG2      MET  46  -0.193   8.660   4.036
  333    HG3  MET  46           HG1      MET  46  -1.920   8.362   4.302
  334    HE1  MET  46           HE1      MET  46  -2.462  10.835   7.425
  335    HE2  MET  46           HE2      MET  46  -1.865   9.177   7.528
  336    HE3  MET  46           HE3      MET  46  -3.215   9.564   6.461
  337    H    GLU  47           HN       GLU  47  -2.241   4.753   6.390
  338    HA   GLU  47           HA       GLU  47  -0.666   3.694   8.519
  339    HB2  GLU  47           HB2      GLU  47  -3.068   4.020   8.745
  340    HB3  GLU  47           HB1      GLU  47  -3.371   2.977   7.379
  341    HG2  GLU  47           HG2      GLU  47  -3.944   1.834   9.408
  342    HG3  GLU  47           HG1      GLU  47  -2.560   1.055   8.658
  343    H    THR  48           HN       THR  48  -1.983   2.419   5.459
  344    HA   THR  48           HA       THR  48  -0.995  -0.147   5.409
  345    HB   THR  48           HB       THR  48  -1.017   1.786   3.070
  346    HG1  THR  48           HG1      THR  48  -3.207   0.309   4.183
  347   HG21  THR  48          HG21      THR  48  -0.096  -0.446   2.613
  348   HG22  THR  48          HG22      THR  48  -1.636  -0.206   1.784
  349   HG23  THR  48          HG23      THR  48  -1.568  -1.178   3.255
  350    H    ALA  49           HN       ALA  49   0.511   2.839   4.187
  351    HA   ALA  49           HA       ALA  49   2.991   1.837   3.447
  352    HB1  ALA  49           HB1      ALA  49   2.338   4.597   4.465
  353    HB2  ALA  49           HB2      ALA  49   2.157   4.046   2.801
  354    HB3  ALA  49           HB3      ALA  49   3.762   4.148   3.530
  355    H    ALA  50           HN       ALA  50   2.036   3.374   6.522
  356    HA   ALA  50           HA       ALA  50   4.478   3.298   7.829
  357    HB1  ALA  50           HB1      ALA  50   3.221   3.548   9.889
  358    HB2  ALA  50           HB2      ALA  50   1.743   3.043   9.065
  359    HB3  ALA  50           HB3      ALA  50   2.530   4.553   8.615
  360    H    ARG  51           HN       ARG  51   1.934   0.857   7.763
  361    HA   ARG  51           HA       ARG  51   2.991  -1.026   9.526
  362    HB2  ARG  51           HB2      ARG  51   1.403  -1.422   6.989
  363    HB3  ARG  51           HB1      ARG  51   1.810  -2.737   8.077
  364    HG2  ARG  51           HG2      ARG  51   0.214  -0.306   8.839
  365    HG3  ARG  51           HG1      ARG  51  -0.468  -1.878   8.401
  366    HD2  ARG  51           HD2      ARG  51   0.781  -2.905  10.243
  367    HD3  ARG  51           HD1      ARG  51   1.400  -1.318  10.690
  368    HE   ARG  51           HE       ARG  51  -0.916  -0.679  11.082
  369   HH11  ARG  51          HH11      ARG  51  -0.153  -4.193  11.004
  370   HH12  ARG  51          HH12      ARG  51  -1.226  -4.566  12.265
  371   HH21  ARG  51          HH21      ARG  51  -2.424  -1.317  12.846
  372   HH22  ARG  51          HH22      ARG  51  -2.565  -2.987  13.248
  373    H    LEU  52           HN       LEU  52   3.524  -0.648   6.111
  374    HA   LEU  52           HA       LEU  52   5.405  -2.768   5.956
  375    HB2  LEU  52           HB2      LEU  52   4.728  -0.587   4.003
  376    HB3  LEU  52           HB1      LEU  52   5.784  -1.947   3.648
  377    HG   LEU  52           HG       LEU  52   2.882  -2.201   4.441
  378   HD11  LEU  52          HD11      LEU  52   3.087  -1.171   2.264
  379   HD12  LEU  52          HD12      LEU  52   2.506  -2.832   2.116
  380   HD13  LEU  52          HD13      LEU  52   4.192  -2.446   1.758
  381   HD21  LEU  52          HD21      LEU  52   4.865  -4.234   3.437
  382   HD22  LEU  52          HD22      LEU  52   3.153  -4.529   3.733
  383   HD23  LEU  52          HD23      LEU  52   4.226  -4.126   5.077
  384    H    GLU  53           HN       GLU  53   5.714   0.717   6.397
  385    HA   GLU  53           HA       GLU  53   8.482   0.936   6.012
  386    HB2  GLU  53           HB2      GLU  53   6.729   2.428   7.952
  387    HB3  GLU  53           HB1      GLU  53   8.400   2.831   7.627
  388    HG2  GLU  53           HG2      GLU  53   7.803   3.265   5.286
  389    HG3  GLU  53           HG1      GLU  53   6.114   2.936   5.689
  390    H    SER  54           HN       SER  54   6.713   0.490   9.048
  391    HA   SER  54           HA       SER  54   8.975   0.140  10.660
  392    HB2  SER  54           HB2      SER  54   6.182  -0.900  11.143
  393    HB3  SER  54           HB1      SER  54   7.404  -0.515  12.360
  394    HG   SER  54           HG       SER  54   5.588   1.104  11.302
  395    H    ARG  55           HN       ARG  55   7.318  -2.020   8.600
  396    HA   ARG  55           HA       ARG  55   8.317  -4.436   9.844
  397    HB2  ARG  55           HB2      ARG  55   6.066  -4.349   8.872
  398    HB3  ARG  55           HB1      ARG  55   6.751  -3.982   7.304
  399    HG2  ARG  55           HG2      ARG  55   7.718  -6.189   7.180
  400    HG3  ARG  55           HG1      ARG  55   7.146  -6.555   8.812
  401    HD2  ARG  55           HD2      ARG  55   4.843  -6.348   8.107
  402    HD3  ARG  55           HD1      ARG  55   5.345  -5.811   6.504
  403    HE   ARG  55           HE       ARG  55   6.136  -8.437   7.485
  404   HH11  ARG  55          HH11      ARG  55   3.919  -6.612   5.405
  405   HH12  ARG  55          HH12      ARG  55   3.951  -7.752   4.121
  406   HH21  ARG  55          HH21      ARG  55   6.010 -10.091   5.774
  407   HH22  ARG  55          HH22      ARG  55   5.059  -9.781   4.375
  408    H    TYR  56           HN       TYR  56   8.783  -2.791   6.692
  409    HA   TYR  56           HA       TYR  56  10.939  -4.628   6.107
  410    HB2  TYR  56           HB2      TYR  56   9.499  -2.616   4.412
  411    HB3  TYR  56           HB1      TYR  56  10.945  -3.447   3.848
  412    HD1  TYR  56           HD1      TYR  56   7.410  -3.860   4.782
  413    HD2  TYR  56           HD2      TYR  56  10.901  -5.784   3.313
  414    HE1  TYR  56           HE1      TYR  56   6.063  -5.812   4.136
  415    HE2  TYR  56           HE2      TYR  56   9.564  -7.729   2.660
  416    HH   TYR  56           HH       TYR  56   6.084  -7.731   2.736
  417    H    GLY  57           HN       GLY  57  10.667  -1.404   7.253
  418    HA2  GLY  57           HA2      GLY  57  12.442  -0.178   8.097
  419    HA3  GLY  57           HA1      GLY  57  13.564  -1.231   7.241
  420    H    VAL  58           HN       VAL  58  10.819   0.315   5.789
  421    HA   VAL  58           HA       VAL  58  12.659   1.843   4.111
  422    HB   VAL  58           HB       VAL  58  10.765   2.105   2.488
  423   HG11  VAL  58          HG11      VAL  58  12.465   0.431   2.144
  424   HG12  VAL  58          HG12      VAL  58  10.889  -0.161   1.607
  425   HG13  VAL  58          HG13      VAL  58  11.562  -0.710   3.147
  426   HG21  VAL  58          HG21      VAL  58   8.834   0.597   2.669
  427   HG22  VAL  58          HG22      VAL  58   8.894   1.734   4.015
  428   HG23  VAL  58          HG23      VAL  58   9.407   0.061   4.248
  429    H    SER  59           HN       SER  59  11.465   3.883   3.159
  430    HA   SER  59           HA       SER  59  10.300   5.311   5.441
  431    HB2  SER  59           HB2      SER  59  12.318   6.403   3.470
  432    HB3  SER  59           HB1      SER  59  11.709   7.192   4.927
  433    HG   SER  59           HG       SER  59  12.718   5.572   6.164
  434    H    ILE  60           HN       ILE  60   8.271   5.714   4.778
  435    HA   ILE  60           HA       ILE  60   7.870   6.611   2.002
  436    HB   ILE  60           HB       ILE  60   5.894   5.071   3.712
  437   HG12  ILE  60          HG12      ILE  60   7.438   4.121   1.286
  438   HG13  ILE  60          HG11      ILE  60   7.854   3.715   2.948
  439   HG21  ILE  60          HG21      ILE  60   4.576   4.935   1.641
  440   HG22  ILE  60          HG22      ILE  60   5.778   5.926   0.812
  441   HG23  ILE  60          HG23      ILE  60   4.832   6.610   2.133
  442   HD11  ILE  60          HD11      ILE  60   5.304   2.998   1.531
  443   HD12  ILE  60          HD12      ILE  60   5.703   2.592   3.201
  444   HD13  ILE  60          HD13      ILE  60   6.650   1.912   1.875
  445    HA   PRO  61           HA       PRO  61   6.496  10.236   4.331
  446    HB2  PRO  61           HB2      PRO  61   6.087  11.247   1.573
  447    HB3  PRO  61           HB1      PRO  61   7.019  11.957   2.898
  448    HG2  PRO  61           HG2      PRO  61   8.244  10.843   0.806
  449    HG3  PRO  61           HG1      PRO  61   8.891  10.667   2.450
  450    HD2  PRO  61           HD2      PRO  61   7.307   8.715   0.821
  451    HD3  PRO  61           HD1      PRO  61   8.730   8.429   1.848
  452    H    ASP  62           HN       ASP  62   4.516  10.832   4.848
  453    HA   ASP  62           HA       ASP  62   2.312   9.233   4.135
  454    HB2  ASP  62           HB2      ASP  62   0.991  10.609   5.639
  455    HB3  ASP  62           HB1      ASP  62   2.556  10.289   6.357
  456    H    ASP  63           HN       ASP  63   3.404  12.310   2.981
  457    HA   ASP  63           HA       ASP  63   1.134  13.225   1.586
  458    HB2  ASP  63           HB2      ASP  63   3.095  14.625   1.968
  459    HB3  ASP  63           HB1      ASP  63   4.076  13.558   0.971
  460    H    VAL  64           HN       VAL  64   3.507  10.865   0.845
  461    HA   VAL  64           HA       VAL  64   2.968  10.582  -1.973
  462    HB   VAL  64           HB       VAL  64   4.376   8.797  -0.030
  463   HG11  VAL  64          HG11      VAL  64   3.763   7.618  -2.105
  464   HG12  VAL  64          HG12      VAL  64   5.510   7.862  -2.067
  465   HG13  VAL  64          HG13      VAL  64   4.497   8.899  -3.073
  466   HG21  VAL  64          HG21      VAL  64   6.469   9.792  -0.910
  467   HG22  VAL  64          HG22      VAL  64   5.432  10.969  -0.104
  468   HG23  VAL  64          HG23      VAL  64   5.501  10.915  -1.865
  469    H    ALA  65           HN       ALA  65   2.359   8.718   0.967
  470    HA   ALA  65           HA       ALA  65   1.084   6.525  -0.199
  471    HB1  ALA  65           HB1      ALA  65   1.945   6.511   2.079
  472    HB2  ALA  65           HB2      ALA  65   0.242   6.033   2.045
  473    HB3  ALA  65           HB3      ALA  65   0.697   7.655   2.560
  474    H    GLY  66           HN       GLY  66  -0.201   9.643   0.773
  475    HA2  GLY  66           HA2      GLY  66  -2.925   8.813   0.261
  476    HA3  GLY  66           HA1      GLY  66  -2.384  10.422   0.715
  477    H    ARG  67           HN       ARG  67  -0.456   9.518  -1.756
  478    HA   ARG  67           HA       ARG  67  -2.004  11.120  -3.651
  479    HB2  ARG  67           HB2      ARG  67   0.203  11.936  -3.123
  480    HB3  ARG  67           HB1      ARG  67   0.910  10.374  -3.482
  481    HG2  ARG  67           HG2      ARG  67   0.367  10.686  -5.853
  482    HG3  ARG  67           HG1      ARG  67  -0.319  12.272  -5.473
  483    HD2  ARG  67           HD2      ARG  67   1.782  13.075  -4.693
  484    HD3  ARG  67           HD1      ARG  67   2.494  11.471  -4.786
  485    HE   ARG  67           HE       ARG  67   1.595  12.308  -7.340
  486   HH11  ARG  67          HH11      ARG  67   4.146  12.952  -4.977
  487   HH12  ARG  67          HH12      ARG  67   5.336  13.345  -6.125
  488   HH21  ARG  67          HH21      ARG  67   3.159  12.818  -8.921
  489   HH22  ARG  67          HH22      ARG  67   4.747  13.296  -8.473
  490    H    VAL  68           HN       VAL  68  -1.085   7.883  -3.081
  491    HA   VAL  68           HA       VAL  68  -0.853   7.074  -5.801
  492    HB   VAL  68           HB       VAL  68  -0.927   4.733  -4.983
  493   HG11  VAL  68          HG11      VAL  68   0.876   6.548  -3.396
  494   HG12  VAL  68          HG12      VAL  68   1.181   5.901  -5.012
  495   HG13  VAL  68          HG13      VAL  68   1.113   4.815  -3.627
  496   HG21  VAL  68          HG21      VAL  68  -1.005   4.267  -2.572
  497   HG22  VAL  68          HG22      VAL  68  -2.515   4.989  -3.135
  498   HG23  VAL  68          HG23      VAL  68  -1.342   5.969  -2.258
  499    H    ASP  69           HN       ASP  69  -2.287   6.654  -7.240
  500    HA   ASP  69           HA       ASP  69  -5.110   6.929  -6.687
  501    HB2  ASP  69           HB2      ASP  69  -3.719   6.197  -9.278
  502    HB3  ASP  69           HB1      ASP  69  -5.436   6.530  -9.111
  503    H    THR  70           HN       THR  70  -2.989   4.316  -7.719
  504    HA   THR  70           HA       THR  70  -5.101   2.382  -7.080
  505    HB   THR  70           HB       THR  70  -4.011   0.934  -8.848
  506    HG1  THR  70           HG1      THR  70  -2.754   2.034 -10.417
  507   HG21  THR  70          HG21      THR  70  -6.127   2.091  -9.303
  508   HG22  THR  70          HG22      THR  70  -5.120   2.038 -10.748
  509   HG23  THR  70          HG23      THR  70  -5.238   3.526  -9.809
  510    HA   PRO  71           HA       PRO  71  -2.110   0.400  -4.403
  511    HB2  PRO  71           HB2      PRO  71  -3.019  -2.167  -5.619
  512    HB3  PRO  71           HB1      PRO  71  -2.955  -1.691  -3.915
  513    HG2  PRO  71           HG2      PRO  71  -5.282  -1.775  -5.157
  514    HG3  PRO  71           HG1      PRO  71  -4.910  -0.426  -4.064
  515    HD2  PRO  71           HD2      PRO  71  -4.821  -0.516  -7.060
  516    HD3  PRO  71           HD1      PRO  71  -5.488   0.742  -5.992
  517    H    ARG  72           HN       ARG  72  -2.208  -0.298  -7.808
  518    HA   ARG  72           HA       ARG  72   0.156  -1.701  -8.281
  519    HB2  ARG  72           HB2      ARG  72  -1.490  -1.084 -10.025
  520    HB3  ARG  72           HB1      ARG  72  -1.000   0.596  -9.882
  521    HG2  ARG  72           HG2      ARG  72   0.097  -0.167 -11.793
  522    HG3  ARG  72           HG1      ARG  72   1.336  -0.217 -10.539
  523    HD2  ARG  72           HD2      ARG  72   1.476  -2.237 -11.826
  524    HD3  ARG  72           HD1      ARG  72   0.818  -2.641 -10.237
  525    HE   ARG  72           HE       ARG  72  -1.402  -2.219 -11.728
  526   HH11  ARG  72          HH11      ARG  72   1.421  -4.339 -12.316
  527   HH12  ARG  72          HH12      ARG  72   0.494  -5.449 -13.199
  528   HH21  ARG  72          HH21      ARG  72  -2.538  -3.670 -12.950
  529   HH22  ARG  72          HH22      ARG  72  -1.793  -5.068 -13.634
  530    H    GLU  73           HN       GLU  73  -0.401   1.763  -7.893
  531    HA   GLU  73           HA       GLU  73   2.255   2.626  -8.370
  532    HB2  GLU  73           HB2      GLU  73   0.128   3.969  -8.576
  533    HB3  GLU  73           HB1      GLU  73   0.072   4.029  -6.825
  534    HG2  GLU  73           HG2      GLU  73   0.977   6.081  -7.685
  535    HG3  GLU  73           HG1      GLU  73   2.231   5.191  -6.821
  536    H    LEU  74           HN       LEU  74   0.354   1.901  -5.536
  537    HA   LEU  74           HA       LEU  74   2.147   2.689  -3.508
  538    HB2  LEU  74           HB2      LEU  74  -0.384   2.080  -3.432
  539    HB3  LEU  74           HB1      LEU  74   0.142   0.423  -3.346
  540    HG   LEU  74           HG       LEU  74   0.707   2.545  -1.250
  541   HD11  LEU  74          HD11      LEU  74  -1.291   0.303  -1.274
  542   HD12  LEU  74          HD12      LEU  74  -1.642   2.027  -1.391
  543   HD13  LEU  74          HD13      LEU  74  -0.943   1.367   0.088
  544   HD21  LEU  74          HD21      LEU  74   1.385   0.677   0.168
  545   HD22  LEU  74          HD22      LEU  74   2.402   0.748  -1.272
  546   HD23  LEU  74          HD23      LEU  74   1.114  -0.450  -1.160
  547    H    LEU  75           HN       LEU  75   1.558  -0.408  -5.126
  548    HA   LEU  75           HA       LEU  75   3.409  -2.055  -3.849
  549    HB2  LEU  75           HB2      LEU  75   1.632  -2.832  -5.355
  550    HB3  LEU  75           HB1      LEU  75   2.451  -2.098  -6.713
  551    HG   LEU  75           HG       LEU  75   4.355  -3.674  -6.337
  552   HD11  LEU  75          HD11      LEU  75   3.971  -5.640  -4.951
  553   HD12  LEU  75          HD12      LEU  75   2.442  -4.953  -4.402
  554   HD13  LEU  75          HD13      LEU  75   3.963  -4.158  -3.997
  555   HD21  LEU  75          HD21      LEU  75   3.207  -5.617  -7.292
  556   HD22  LEU  75          HD22      LEU  75   2.665  -4.110  -8.034
  557   HD23  LEU  75          HD23      LEU  75   1.653  -4.918  -6.837
  558    H    ASP  76           HN       ASP  76   3.735  -0.291  -6.921
  559    HA   ASP  76           HA       ASP  76   6.388  -1.006  -7.471
  560    HB2  ASP  76           HB2      ASP  76   4.884  -0.081  -9.171
  561    HB3  ASP  76           HB1      ASP  76   4.924   1.482  -8.363
  562    H    LEU  77           HN       LEU  77   5.078   1.664  -5.657
  563    HA   LEU  77           HA       LEU  77   7.326   3.267  -5.309
  564    HB2  LEU  77           HB2      LEU  77   5.109   3.935  -4.594
  565    HB3  LEU  77           HB1      LEU  77   5.062   2.646  -3.412
  566    HG   LEU  77           HG       LEU  77   6.951   3.769  -2.221
  567   HD11  LEU  77          HD11      LEU  77   7.396   6.117  -2.698
  568   HD12  LEU  77          HD12      LEU  77   6.361   6.024  -4.122
  569   HD13  LEU  77          HD13      LEU  77   7.850   5.077  -4.049
  570   HD21  LEU  77          HD21      LEU  77   4.651   3.980  -1.472
  571   HD22  LEU  77          HD22      LEU  77   4.404   5.345  -2.559
  572   HD23  LEU  77          HD23      LEU  77   5.532   5.484  -1.210
  573    H    ILE  78           HN       ILE  78   6.121   0.632  -3.313
  574    HA   ILE  78           HA       ILE  78   8.388   0.817  -1.605
  575    HB   ILE  78           HB       ILE  78   6.237  -1.317  -1.608
  576   HG12  ILE  78          HG12      ILE  78   6.432   1.275  -0.063
  577   HG13  ILE  78          HG11      ILE  78   5.390   1.008  -1.454
  578   HG21  ILE  78          HG21      ILE  78   8.175  -0.381   0.537
  579   HG22  ILE  78          HG22      ILE  78   8.278  -1.914  -0.322
  580   HG23  ILE  78          HG23      ILE  78   6.918  -1.597   0.759
  581   HD11  ILE  78          HD11      ILE  78   5.234  -0.434   1.170
  582   HD12  ILE  78          HD12      ILE  78   4.175  -0.682  -0.216
  583   HD13  ILE  78          HD13      ILE  78   4.173   0.865   0.630
  584    H    ASN  79           HN       ASN  79   7.494  -1.196  -4.335
  585    HA   ASN  79           HA       ASN  79   9.580  -3.100  -3.922
  586    HB2  ASN  79           HB2      ASN  79   8.074  -2.342  -6.428
  587    HB3  ASN  79           HB1      ASN  79   9.471  -3.399  -6.518
  588   HD21  ASN  79          HD21      ASN  79   6.984  -3.358  -3.985
  589   HD22  ASN  79          HD22      ASN  79   6.408  -4.954  -4.377
  590    H    GLY  80           HN       GLY  80   9.440  -0.036  -5.610
  591    HA2  GLY  80           HA2      GLY  80  12.096  -0.066  -6.552
  592    HA3  GLY  80           HA1      GLY  80  11.105   1.367  -6.281
  593    H    ALA  81           HN       ALA  81  10.600   1.324  -3.662
  594    HA   ALA  81           HA       ALA  81  12.833   2.384  -2.456
  595    HB1  ALA  81           HB1      ALA  81  10.539   2.741  -1.658
  596    HB2  ALA  81           HB2      ALA  81  11.614   2.240  -0.355
  597    HB3  ALA  81           HB3      ALA  81  10.492   1.080  -1.069
  598    H    LEU  82           HN       LEU  82  11.565  -0.918  -2.131
  599    HA   LEU  82           HA       LEU  82  13.482  -1.856  -0.301
  600    HB2  LEU  82           HB2      LEU  82  11.851  -3.353  -2.341
  601    HB3  LEU  82           HB1      LEU  82  12.821  -4.126  -1.106
  602    HG   LEU  82           HG       LEU  82  10.484  -2.297  -0.549
  603   HD11  LEU  82          HD11      LEU  82   9.300  -4.335   0.080
  604   HD12  LEU  82          HD12      LEU  82  10.677  -5.303  -0.443
  605   HD13  LEU  82          HD13      LEU  82   9.764  -4.362  -1.619
  606   HD21  LEU  82          HD21      LEU  82  12.113  -4.083   1.244
  607   HD22  LEU  82          HD22      LEU  82  10.679  -3.164   1.720
  608   HD23  LEU  82          HD23      LEU  82  12.146  -2.318   1.217
  609    H    ALA  83           HN       ALA  83  13.536  -1.656  -3.808
  610    HA   ALA  83           HA       ALA  83  15.773  -3.355  -4.154
  611    HB1  ALA  83           HB1      ALA  83  14.731  -1.217  -6.007
  612    HB2  ALA  83           HB2      ALA  83  14.179  -2.893  -5.957
  613    HB3  ALA  83           HB3      ALA  83  15.836  -2.524  -6.438
  614    H    GLU  84           HN       GLU  84  15.448   0.019  -3.372
  615    HA   GLU  84           HA       GLU  84  18.366   0.207  -3.487
  616    HB2  GLU  84           HB2      GLU  84  16.324   2.433  -3.343
  617    HB3  GLU  84           HB1      GLU  84  18.045   2.686  -3.157
  618    HG2  GLU  84           HG2      GLU  84  17.747   3.244  -5.347
  619    HG3  GLU  84           HG1      GLU  84  18.181   1.546  -5.496
  620    H    ALA  85           HN       ALA  85  16.480  -0.971  -1.389
  621    HA   ALA  85           HA       ALA  85  17.496   0.580   0.899
  622    HB1  ALA  85           HB1      ALA  85  15.045   0.411   0.824
  623    HB2  ALA  85           HB2      ALA  85  15.721  -0.369   2.256
  624    HB3  ALA  85           HB3      ALA  85  15.176  -1.346   0.894
  625    H    ALA  86           HN       ALA  86  16.838  -2.811  -0.049
  626    HA   ALA  86           HA       ALA  86  19.280  -3.607   1.242
  627    HB1  ALA  86           HB1      ALA  86  16.619  -4.718   2.149
  628    HB2  ALA  86           HB2      ALA  86  17.671  -3.669   3.100
  629    HB3  ALA  86           HB3      ALA  86  18.206  -5.290   2.660
  630    H28  SXV  87          H28A      SXV  87  -5.609  13.527   1.924
  631   H28A  SXV  87          H28B      SXV  87  -5.212  12.539   3.335
  632    H30  SXV  87          H30C      SXV  87  -2.903  11.063   2.309
  633   H30A  SXV  87          H30A      SXV  87  -2.972  11.920   3.850
  634   H30B  SXV  87          H30B      SXV  87  -1.649  12.231   2.728
  635    H31  SXV  87          H31C      SXV  87  -3.310  12.280   0.171
  636   H31A  SXV  87          H31A      SXV  87  -2.097  13.497   0.577
  637   H31B  SXV  87          H31B      SXV  87  -3.747  13.989   0.201
  638    H32  SXV  87          H32A      SXV  87  -3.333  14.336   3.952
  639   HO33  SXV  87          H33A      SXV  87  -4.664  15.783   3.320
  640   HN36  SXV  87          H36A      SXV  87  -2.877  16.607   1.997
  641    H37  SXV  87          H37B      SXV  87  -0.034  16.441   1.331
  642   H37A  SXV  87          H37A      SXV  87  -0.493  17.672   2.509
  643    H38  SXV  87          H38B      SXV  87  -1.561  17.427  -0.305
  644   H38A  SXV  87          H38A      SXV  87  -0.347  18.589   0.240
  645   HN41  SXV  87          H41A      SXV  87  -2.750  19.164  -1.016
  646    H42  SXV  87          H42B      SXV  87  -3.699  21.412  -0.246
  647   H42A  SXV  87          H42A      SXV  87  -4.524  20.415   0.943
  648    H43  SXV  87          H43B      SXV  87  -4.616  19.983  -2.028
  649   H43A  SXV  87          H43A      SXV  87  -5.620  19.180  -0.840
  650    H1   SXV  87           H1B      SXV  87  -6.717  20.350  -3.422
  651    H1A  SXV  87           H1A      SXV  87  -7.818  19.721  -2.184
  652    H2   SXV  87           H2A      SXV  87  -8.083  22.373  -3.478
  653    H2A  SXV  87           H2B      SXV  87  -9.161  21.694  -2.250
  654    H4   SXV  87           H4C      SXV  87 -11.166  19.754  -4.029
  655    H4A  SXV  87           H4A      SXV  87 -10.004  19.355  -2.757
  656    H4B  SXV  87           H4B      SXV  87  -9.778  18.720  -4.393
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  20.262 -10.564  -3.714
    2    H2   MET   1           HT2      MET   1  20.593  -9.266  -4.742
    3    H3   MET   1           HT3      MET   1  20.539 -10.829  -5.383
    4    HA   MET   1           HA       MET   1  18.600  -9.556  -5.924
    5    HB2  MET   1           HB2      MET   1  18.125 -11.762  -3.911
    6    HB3  MET   1           HB1      MET   1  16.810 -10.977  -4.766
    7    HG2  MET   1           HG2      MET   1  17.867 -11.691  -6.898
    8    HG3  MET   1           HG1      MET   1  19.038 -12.610  -5.946
    9    HE1  MET   1           HE1      MET   1  16.632 -15.322  -7.510
   10    HE2  MET   1           HE2      MET   1  18.293 -14.745  -7.407
   11    HE3  MET   1           HE3      MET   1  17.074 -13.780  -8.245
   12    H    ALA   2           HN       ALA   2  16.389  -8.971  -4.882
   13    HA   ALA   2           HA       ALA   2  16.843  -7.528  -2.392
   14    HB1  ALA   2           HB1      ALA   2  15.403  -6.506  -4.853
   15    HB2  ALA   2           HB2      ALA   2  16.951  -5.915  -4.245
   16    HB3  ALA   2           HB3      ALA   2  15.485  -5.681  -3.297
   17    H    THR   3           HN       THR   3  15.339  -8.036  -0.954
   18    HA   THR   3           HA       THR   3  13.283  -9.894  -1.553
   19    HB   THR   3           HB       THR   3  12.673  -9.225   0.904
   20    HG1  THR   3           HG1      THR   3  13.834  -7.688   1.713
   21   HG21  THR   3          HG21      THR   3  13.817 -11.317   0.290
   22   HG22  THR   3          HG22      THR   3  14.490 -10.642   1.769
   23   HG23  THR   3          HG23      THR   3  15.357 -10.457   0.241
   24    H    LEU   4           HN       LEU   4  11.560  -9.235  -2.711
   25    HA   LEU   4           HA       LEU   4  10.467  -6.564  -2.212
   26    HB2  LEU   4           HB2      LEU   4  10.175  -8.333  -4.638
   27    HB3  LEU   4           HB1      LEU   4   9.466  -6.746  -4.444
   28    HG   LEU   4           HG       LEU   4  12.419  -7.353  -4.630
   29   HD11  LEU   4          HD11      LEU   4  12.279  -6.208  -6.784
   30   HD12  LEU   4          HD12      LEU   4  10.533  -6.053  -6.590
   31   HD13  LEU   4          HD13      LEU   4  11.269  -7.651  -6.743
   32   HD21  LEU   4          HD21      LEU   4  12.707  -4.926  -4.738
   33   HD22  LEU   4          HD22      LEU   4  11.983  -5.415  -3.206
   34   HD23  LEU   4          HD23      LEU   4  10.980  -4.703  -4.468
   35    H    LEU   5           HN       LEU   5   8.215  -6.349  -2.090
   36    HA   LEU   5           HA       LEU   5   6.915  -8.784  -1.274
   37    HB2  LEU   5           HB2      LEU   5   5.116  -7.288  -0.343
   38    HB3  LEU   5           HB1      LEU   5   6.676  -7.137   0.417
   39    HG   LEU   5           HG       LEU   5   6.988  -5.007  -0.960
   40   HD11  LEU   5          HD11      LEU   5   4.977  -3.873  -1.728
   41   HD12  LEU   5          HD12      LEU   5   4.025  -5.317  -1.376
   42   HD13  LEU   5          HD13      LEU   5   5.263  -5.360  -2.630
   43   HD21  LEU   5          HD21      LEU   5   4.778  -5.118   1.077
   44   HD22  LEU   5          HD22      LEU   5   5.663  -3.671   0.589
   45   HD23  LEU   5          HD23      LEU   5   6.502  -4.986   1.410
   46    H    THR   6           HN       THR   6   5.105  -9.527  -2.148
   47    HA   THR   6           HA       THR   6   4.681  -8.654  -4.881
   48    HB   THR   6           HB       THR   6   3.551 -10.873  -5.155
   49    HG1  THR   6           HG1      THR   6   4.464 -11.265  -2.447
   50   HG21  THR   6          HG21      THR   6   5.906 -10.582  -5.741
   51   HG22  THR   6          HG22      THR   6   5.627 -12.196  -5.085
   52   HG23  THR   6          HG23      THR   6   6.373 -10.950  -4.082
   53    H    THR   7           HN       THR   7   2.120  -9.643  -5.369
   54    HA   THR   7           HA       THR   7   0.642  -7.541  -4.203
   55    HB   THR   7           HB       THR   7  -1.244  -8.550  -5.609
   56    HG1  THR   7           HG1      THR   7  -0.484 -10.018  -7.219
   57   HG21  THR   7          HG21      THR   7  -0.258  -7.739  -7.707
   58   HG22  THR   7          HG22      THR   7   1.343  -7.781  -6.965
   59   HG23  THR   7          HG23      THR   7   0.121  -6.663  -6.361
   60    H    ASP   8           HN       ASP   8   0.993 -10.930  -3.639
   61    HA   ASP   8           HA       ASP   8  -1.287 -11.213  -1.943
   62    HB2  ASP   8           HB2      ASP   8   1.278 -12.840  -2.009
   63    HB3  ASP   8           HB1      ASP   8  -0.105 -13.229  -1.002
   64    H    ASP   9           HN       ASP   9   2.060 -10.390  -1.440
   65    HA   ASP   9           HA       ASP   9   1.966 -10.206   1.396
   66    HB2  ASP   9           HB2      ASP   9   3.766  -8.665  -0.489
   67    HB3  ASP   9           HB1      ASP   9   3.992  -8.824   1.244
   68    H    LEU  10           HN       LEU  10   1.587  -7.853  -1.177
   69    HA   LEU  10           HA       LEU  10   1.220  -5.592   0.390
   70    HB2  LEU  10           HB2      LEU  10   1.634  -5.606  -2.060
   71    HB3  LEU  10           HB1      LEU  10  -0.007  -6.154  -2.307
   72    HG   LEU  10           HG       LEU  10  -0.864  -4.048  -1.381
   73   HD11  LEU  10          HD11      LEU  10   0.956  -3.557   0.159
   74   HD12  LEU  10          HD12      LEU  10   0.673  -2.195  -0.930
   75   HD13  LEU  10          HD13      LEU  10   2.043  -3.273  -1.200
   76   HD21  LEU  10          HD21      LEU  10  -0.468  -4.230  -3.786
   77   HD22  LEU  10          HD22      LEU  10   1.188  -3.673  -3.562
   78   HD23  LEU  10          HD23      LEU  10  -0.161  -2.589  -3.219
   79    H    ARG  11           HN       ARG  11  -1.188  -7.947  -0.755
   80    HA   ARG  11           HA       ARG  11  -3.425  -6.629   0.334
   81    HB2  ARG  11           HB2      ARG  11  -2.931  -9.513  -0.311
   82    HB3  ARG  11           HB1      ARG  11  -4.412  -9.003   0.486
   83    HG2  ARG  11           HG2      ARG  11  -4.864  -7.494  -1.381
   84    HG3  ARG  11           HG1      ARG  11  -3.406  -8.078  -2.182
   85    HD2  ARG  11           HD2      ARG  11  -5.648  -9.881  -1.318
   86    HD3  ARG  11           HD1      ARG  11  -5.578  -9.128  -2.910
   87    HE   ARG  11           HE       ARG  11  -3.716 -11.096  -1.814
   88   HH11  ARG  11          HH11      ARG  11  -5.221  -9.413  -4.523
   89   HH12  ARG  11          HH12      ARG  11  -4.430 -10.288  -5.746
   90   HH21  ARG  11          HH21      ARG  11  -2.589 -12.386  -3.543
   91   HH22  ARG  11          HH22      ARG  11  -2.891 -11.979  -5.162
   92    H    ARG  12           HN       ARG  12  -1.345  -9.101   1.696
   93    HA   ARG  12           HA       ARG  12  -2.737  -9.378   4.136
   94    HB2  ARG  12           HB2      ARG  12   0.188  -9.878   3.573
   95    HB3  ARG  12           HB1      ARG  12  -0.693 -10.455   4.978
   96    HG2  ARG  12           HG2      ARG  12  -2.136 -11.795   3.506
   97    HG3  ARG  12           HG1      ARG  12  -1.202 -11.236   2.115
   98    HD2  ARG  12           HD2      ARG  12  -0.153 -12.831   4.451
   99    HD3  ARG  12           HD1      ARG  12  -0.463 -13.443   2.825
  100    HE   ARG  12           HE       ARG  12   1.292 -11.912   2.066
  101   HH11  ARG  12          HH11      ARG  12   1.252 -12.999   5.431
  102   HH12  ARG  12          HH12      ARG  12   2.894 -12.735   5.723
  103   HH21  ARG  12          HH21      ARG  12   3.653 -11.556   2.434
  104   HH22  ARG  12          HH22      ARG  12   4.287 -11.795   3.961
  105    H    ALA  13           HN       ALA  13  -0.273  -7.176   3.093
  106    HA   ALA  13           HA       ALA  13   0.263  -6.050   5.663
  107    HB1  ALA  13           HB1      ALA  13   1.905  -5.985   3.891
  108    HB2  ALA  13           HB2      ALA  13   1.446  -4.349   4.401
  109    HB3  ALA  13           HB3      ALA  13   0.809  -5.013   2.903
  110    H    LEU  14           HN       LEU  14  -1.818  -5.233   2.947
  111    HA   LEU  14           HA       LEU  14  -2.574  -2.674   3.871
  112    HB2  LEU  14           HB2      LEU  14  -2.811  -3.577   1.525
  113    HB3  LEU  14           HB1      LEU  14  -4.158  -4.535   2.090
  114    HG   LEU  14           HG       LEU  14  -5.388  -2.459   2.626
  115   HD11  LEU  14          HD11      LEU  14  -4.533  -0.319   1.816
  116   HD12  LEU  14          HD12      LEU  14  -3.022  -1.100   1.348
  117   HD13  LEU  14          HD13      LEU  14  -3.475  -1.007   3.050
  118   HD21  LEU  14          HD21      LEU  14  -4.343  -2.610  -0.201
  119   HD22  LEU  14          HD22      LEU  14  -5.817  -1.788   0.316
  120   HD23  LEU  14          HD23      LEU  14  -5.688  -3.541   0.459
  121    H    VAL  15           HN       VAL  15  -3.777  -5.904   4.450
  122    HA   VAL  15           HA       VAL  15  -6.173  -5.282   5.770
  123    HB   VAL  15           HB       VAL  15  -4.360  -7.683   6.243
  124   HG11  VAL  15          HG11      VAL  15  -5.926  -7.410   8.089
  125   HG12  VAL  15          HG12      VAL  15  -6.354  -8.817   7.115
  126   HG13  VAL  15          HG13      VAL  15  -7.269  -7.315   6.951
  127   HG21  VAL  15          HG21      VAL  15  -6.766  -7.369   4.455
  128   HG22  VAL  15          HG22      VAL  15  -5.884  -8.869   4.730
  129   HG23  VAL  15          HG23      VAL  15  -5.091  -7.515   3.925
  130    H    GLU  16           HN       GLU  16  -2.884  -4.995   6.822
  131    HA   GLU  16           HA       GLU  16  -3.283  -5.169   9.606
  132    HB2  GLU  16           HB2      GLU  16  -1.086  -3.743   8.083
  133    HB3  GLU  16           HB1      GLU  16  -1.096  -4.042   9.808
  134    HG2  GLU  16           HG2      GLU  16  -1.109  -6.456   9.396
  135    HG3  GLU  16           HG1      GLU  16  -1.067  -6.147   7.662
  136    H    SER  17           HN       SER  17  -3.993  -2.618   7.393
  137    HA   SER  17           HA       SER  17  -4.255  -0.752   9.629
  138    HB2  SER  17           HB2      SER  17  -4.423  -0.212   6.670
  139    HB3  SER  17           HB1      SER  17  -4.427   1.000   7.954
  140    HG   SER  17           HG       SER  17  -2.374  -0.002   8.598
  141    H    ALA  18           HN       ALA  18  -6.131  -2.405   7.169
  142    HA   ALA  18           HA       ALA  18  -8.551  -0.992   7.744
  143    HB1  ALA  18           HB1      ALA  18  -8.177  -2.083   5.581
  144    HB2  ALA  18           HB2      ALA  18  -9.640  -2.684   6.368
  145    HB3  ALA  18           HB3      ALA  18  -8.167  -3.654   6.384
  146    H    GLY  19           HN       GLY  19  -7.075  -3.992   8.825
  147    HA2  GLY  19           HA2      GLY  19  -7.439  -5.131  10.776
  148    HA3  GLY  19           HA1      GLY  19  -8.792  -4.057  11.133
  149    H    GLU  20           HN       GLU  20 -10.689  -4.331   9.857
  150    HA   GLU  20           HA       GLU  20 -11.148  -7.151   9.220
  151    HB2  GLU  20           HB2      GLU  20 -13.007  -5.069  10.365
  152    HB3  GLU  20           HB1      GLU  20 -13.549  -6.636   9.777
  153    HG2  GLU  20           HG2      GLU  20 -11.537  -6.250  11.985
  154    HG3  GLU  20           HG1      GLU  20 -13.261  -6.529  12.234
  155    H    THR  21           HN       THR  21 -10.835  -7.201   7.103
  156    HA   THR  21           HA       THR  21 -12.573  -5.532   5.464
  157    HB   THR  21           HB       THR  21 -10.452  -4.515   5.134
  158    HG1  THR  21           HG1      THR  21 -11.253  -4.693   3.147
  159   HG21  THR  21          HG21      THR  21  -8.377  -5.727   4.566
  160   HG22  THR  21          HG22      THR  21  -9.234  -7.258   4.749
  161   HG23  THR  21          HG23      THR  21  -9.001  -6.209   6.145
  162    H    ASP  22           HN       ASP  22 -14.045  -7.117   5.220
  163    HA   ASP  22           HA       ASP  22 -13.107  -9.644   4.038
  164    HB2  ASP  22           HB2      ASP  22 -15.010 -10.757   4.908
  165    HB3  ASP  22           HB1      ASP  22 -14.480  -9.704   6.206
  166    H    GLY  23           HN       GLY  23 -15.223  -6.901   3.598
  167    HA2  GLY  23           HA2      GLY  23 -16.597  -8.026   1.332
  168    HA3  GLY  23           HA1      GLY  23 -16.764  -6.398   1.966
  169    H    THR  24           HN       THR  24 -13.811  -6.092   1.849
  170    HA   THR  24           HA       THR  24 -13.638  -4.894  -0.715
  171    HB   THR  24           HB       THR  24 -11.376  -5.548   1.171
  172    HG1  THR  24           HG1      THR  24 -13.367  -3.522   1.298
  173   HG21  THR  24          HG21      THR  24 -10.758  -4.543  -0.992
  174   HG22  THR  24          HG22      THR  24 -10.464  -3.414   0.328
  175   HG23  THR  24          HG23      THR  24 -11.884  -3.219  -0.701
  176    H    ASP  25           HN       ASP  25 -13.863  -6.540  -2.264
  177    HA   ASP  25           HA       ASP  25 -12.304  -8.939  -2.250
  178    HB2  ASP  25           HB2      ASP  25 -13.733  -7.645  -4.599
  179    HB3  ASP  25           HB1      ASP  25 -13.039  -9.261  -4.593
  180    H    LEU  26           HN       LEU  26 -10.261  -8.563  -2.086
  181    HA   LEU  26           HA       LEU  26  -8.964  -6.650  -3.901
  182    HB2  LEU  26           HB2      LEU  26  -8.977  -6.440  -1.351
  183    HB3  LEU  26           HB1      LEU  26  -7.904  -7.817  -1.346
  184    HG   LEU  26           HG       LEU  26  -6.284  -6.496  -2.673
  185   HD11  LEU  26          HD11      LEU  26  -7.863  -4.923  -3.694
  186   HD12  LEU  26          HD12      LEU  26  -6.613  -4.059  -2.799
  187   HD13  LEU  26          HD13      LEU  26  -8.224  -4.245  -2.106
  188   HD21  LEU  26          HD21      LEU  26  -5.591  -5.098  -0.786
  189   HD22  LEU  26          HD22      LEU  26  -6.123  -6.700  -0.265
  190   HD23  LEU  26          HD23      LEU  26  -7.188  -5.309  -0.059
  191    H    SER  27           HN       SER  27  -9.551  -9.843  -3.434
  192    HA   SER  27           HA       SER  27  -7.117 -11.151  -3.914
  193    HB2  SER  27           HB2      SER  27  -9.937 -12.023  -4.549
  194    HB3  SER  27           HB1      SER  27  -8.525 -13.081  -4.430
  195    HG   SER  27           HG       SER  27  -8.398 -12.757  -2.331
  196    H    GLY  28           HN       GLY  28  -6.441 -12.274  -5.848
  197    HA2  GLY  28           HA2      GLY  28  -6.093 -12.506  -8.127
  198    HA3  GLY  28           HA1      GLY  28  -7.524 -11.516  -8.415
  199    H    ASP  29           HN       ASP  29  -6.860  -9.865  -9.682
  200    HA   ASP  29           HA       ASP  29  -4.407  -8.516  -8.840
  201    HB2  ASP  29           HB2      ASP  29  -4.521  -9.057 -11.273
  202    HB3  ASP  29           HB1      ASP  29  -5.979  -8.072 -11.396
  203    H    PHE  30           HN       PHE  30  -4.491  -6.546  -8.053
  204    HA   PHE  30           HA       PHE  30  -7.126  -5.309  -7.901
  205    HB2  PHE  30           HB2      PHE  30  -6.666  -4.686  -5.552
  206    HB3  PHE  30           HB1      PHE  30  -6.772  -6.421  -5.789
  207    HD1  PHE  30           HD2      PHE  30  -4.564  -7.714  -5.934
  208    HD2  PHE  30           HD1      PHE  30  -4.852  -3.730  -4.499
  209    HE1  PHE  30           HE2      PHE  30  -2.423  -7.980  -4.773
  210    HE2  PHE  30           HE1      PHE  30  -2.712  -3.992  -3.334
  211    HZ   PHE  30           HZ       PHE  30  -1.495  -6.121  -3.473
  212    H    LEU  31           HN       LEU  31  -4.515  -4.890  -9.465
  213    HA   LEU  31           HA       LEU  31  -3.516  -2.450  -8.378
  214    HB2  LEU  31           HB2      LEU  31  -2.795  -4.130 -10.736
  215    HB3  LEU  31           HB1      LEU  31  -2.238  -2.473 -10.651
  216    HG   LEU  31           HG       LEU  31  -1.079  -2.948  -8.561
  217   HD11  LEU  31          HD11      LEU  31  -2.468  -4.699  -7.666
  218   HD12  LEU  31          HD12      LEU  31  -0.772  -5.160  -7.717
  219   HD13  LEU  31          HD13      LEU  31  -1.901  -5.813  -8.921
  220   HD21  LEU  31          HD21      LEU  31   0.693  -4.370  -9.471
  221   HD22  LEU  31          HD22      LEU  31   0.134  -3.165 -10.635
  222   HD23  LEU  31          HD23      LEU  31  -0.381  -4.847 -10.788
  223    H    ASP  32           HN       ASP  32  -6.139  -3.210 -10.316
  224    HA   ASP  32           HA       ASP  32  -6.152  -0.454 -11.317
  225    HB2  ASP  32           HB2      ASP  32  -7.754  -2.827 -12.300
  226    HB3  ASP  32           HB1      ASP  32  -7.923  -1.181 -12.897
  227    H    LEU  33           HN       LEU  33  -7.125  -2.112  -8.776
  228    HA   LEU  33           HA       LEU  33  -9.827  -1.159  -8.603
  229    HB2  LEU  33           HB2      LEU  33  -7.994  -2.451  -6.593
  230    HB3  LEU  33           HB1      LEU  33  -9.598  -1.876  -6.180
  231    HG   LEU  33           HG       LEU  33  -8.986  -4.045  -8.198
  232   HD11  LEU  33          HD11      LEU  33 -10.153  -4.173  -5.422
  233   HD12  LEU  33          HD12      LEU  33  -8.548  -4.735  -5.892
  234   HD13  LEU  33          HD13      LEU  33  -9.983  -5.530  -6.536
  235   HD21  LEU  33          HD21      LEU  33 -11.398  -4.395  -8.187
  236   HD22  LEU  33          HD22      LEU  33 -10.995  -2.766  -8.733
  237   HD23  LEU  33          HD23      LEU  33 -11.593  -3.026  -7.093
  238    H    ARG  34           HN       ARG  34 -10.369   0.754  -8.087
  239    HA   ARG  34           HA       ARG  34  -8.356   2.701  -7.303
  240    HB2  ARG  34           HB2      ARG  34 -11.341   3.165  -7.467
  241    HB3  ARG  34           HB1      ARG  34 -10.050   4.353  -7.601
  242    HG2  ARG  34           HG2      ARG  34 -10.655   2.177  -9.577
  243    HG3  ARG  34           HG1      ARG  34 -11.066   3.880  -9.747
  244    HD2  ARG  34           HD2      ARG  34  -8.871   4.503 -10.058
  245    HD3  ARG  34           HD1      ARG  34  -8.230   3.036  -9.306
  246    HE   ARG  34           HE       ARG  34  -9.628   2.115 -11.421
  247   HH11  ARG  34          HH11      ARG  34  -7.117   4.618 -11.294
  248   HH12  ARG  34          HH12      ARG  34  -6.451   4.166 -12.803
  249   HH21  ARG  34          HH21      ARG  34  -8.680   1.474 -13.354
  250   HH22  ARG  34          HH22      ARG  34  -7.278   2.237 -13.973
  251    H    PHE  35           HN       PHE  35  -8.172   3.588  -5.296
  252    HA   PHE  35           HA       PHE  35  -9.151   2.048  -3.141
  253    HB2  PHE  35           HB2      PHE  35  -7.848   4.769  -3.098
  254    HB3  PHE  35           HB1      PHE  35  -8.188   3.792  -1.669
  255    HD1  PHE  35           HD2      PHE  35  -7.078   1.585  -1.403
  256    HD2  PHE  35           HD1      PHE  35  -6.013   4.337  -4.439
  257    HE1  PHE  35           HE2      PHE  35  -4.953   0.389  -1.734
  258    HE2  PHE  35           HE1      PHE  35  -3.933   3.172  -4.804
  259    HZ   PHE  35           HZ       PHE  35  -3.362   1.185  -3.431
  260    H    GLU  36           HN       GLU  36 -10.254   4.944  -4.663
  261    HA   GLU  36           HA       GLU  36 -12.132   5.706  -2.703
  262    HB2  GLU  36           HB2      GLU  36 -11.294   7.085  -4.654
  263    HB3  GLU  36           HB1      GLU  36 -12.348   6.130  -5.685
  264    HG2  GLU  36           HG2      GLU  36 -13.424   8.192  -5.153
  265    HG3  GLU  36           HG1      GLU  36 -14.273   6.877  -4.339
  266    H    ASP  37           HN       ASP  37 -12.139   3.350  -5.233
  267    HA   ASP  37           HA       ASP  37 -14.985   2.863  -5.174
  268    HB2  ASP  37           HB2      ASP  37 -13.841   2.626  -7.281
  269    HB3  ASP  37           HB1      ASP  37 -12.718   1.463  -6.589
  270    H    ILE  38           HN       ILE  38 -12.050   1.287  -4.006
  271    HA   ILE  38           HA       ILE  38 -13.578  -0.950  -3.000
  272    HB   ILE  38           HB       ILE  38 -11.471  -1.902  -2.176
  273   HG12  ILE  38          HG12      ILE  38 -10.190   0.611  -3.288
  274   HG13  ILE  38          HG11      ILE  38 -10.341   0.218  -1.580
  275   HG21  ILE  38          HG21      ILE  38 -10.417  -2.225  -4.359
  276   HG22  ILE  38          HG22      ILE  38 -11.355  -0.866  -4.989
  277   HG23  ILE  38          HG23      ILE  38 -12.180  -2.328  -4.444
  278   HD11  ILE  38          HD11      ILE  38  -8.888  -1.723  -1.905
  279   HD12  ILE  38          HD12      ILE  38  -8.098  -0.226  -2.404
  280   HD13  ILE  38          HD13      ILE  38  -8.748  -1.327  -3.618
  281    H    GLY  39           HN       GLY  39 -13.341   1.973  -1.803
  282    HA2  GLY  39           HA2      GLY  39 -14.163   2.718   0.251
  283    HA3  GLY  39           HA1      GLY  39 -14.193   1.047   0.800
  284    H    TYR  40           HN       TYR  40 -11.598   3.154  -0.364
  285    HA   TYR  40           HA       TYR  40 -10.260   2.928   2.216
  286    HB2  TYR  40           HB2      TYR  40  -9.246   2.098  -0.434
  287    HB3  TYR  40           HB1      TYR  40  -8.143   3.058   0.539
  288    HD1  TYR  40           HD2      TYR  40 -10.126  -0.032   0.432
  289    HD2  TYR  40           HD1      TYR  40  -7.003   2.076   2.402
  290    HE1  TYR  40           HE2      TYR  40  -9.562  -2.066   1.651
  291    HE2  TYR  40           HE1      TYR  40  -6.402   0.044   3.639
  292    HH   TYR  40           HH       TYR  40  -7.489  -2.064   4.343
  293    H    ASP  41           HN       ASP  41  -8.929   4.664   2.709
  294    HA   ASP  41           HA       ASP  41  -9.204   6.972   0.935
  295    HB2  ASP  41           HB2      ASP  41  -9.632   8.449   2.755
  296    HB3  ASP  41           HB1      ASP  41 -10.721   7.089   2.980
  297    H    SER  42           HN       SER  42  -7.635   8.744   1.955
  298    HA   SER  42           HA       SER  42  -5.074   7.899   1.185
  299    HB2  SER  42           HB2      SER  42  -4.596  10.255   1.976
  300    HB3  SER  42           HB1      SER  42  -5.851  10.089   0.726
  301    H    LEU  43           HN       LEU  43  -6.506   8.919   4.218
  302    HA   LEU  43           HA       LEU  43  -4.198   8.860   5.788
  303    HB2  LEU  43           HB2      LEU  43  -7.063   8.541   6.636
  304    HB3  LEU  43           HB1      LEU  43  -5.723   8.896   7.702
  305    HG   LEU  43           HG       LEU  43  -6.766  10.685   5.511
  306   HD11  LEU  43          HD11      LEU  43  -7.453  12.141   7.346
  307   HD12  LEU  43          HD12      LEU  43  -6.903  10.937   8.509
  308   HD13  LEU  43          HD13      LEU  43  -8.250  10.570   7.432
  309   HD21  LEU  43          HD21      LEU  43  -5.196  12.342   6.393
  310   HD22  LEU  43          HD22      LEU  43  -4.360  10.917   5.776
  311   HD23  LEU  43          HD23      LEU  43  -4.559  11.138   7.515
  312    H    ALA  44           HN       ALA  44  -6.639   6.394   5.169
  313    HA   ALA  44           HA       ALA  44  -5.641   4.443   6.940
  314    HB1  ALA  44           HB1      ALA  44  -7.852   4.257   5.874
  315    HB2  ALA  44           HB2      ALA  44  -6.870   2.823   5.574
  316    HB3  ALA  44           HB3      ALA  44  -7.071   4.032   4.309
  317    H    LEU  45           HN       LEU  45  -4.987   5.101   3.539
  318    HA   LEU  45           HA       LEU  45  -3.188   3.016   3.091
  319    HB2  LEU  45           HB2      LEU  45  -3.388   5.709   1.763
  320    HB3  LEU  45           HB1      LEU  45  -2.414   4.380   1.164
  321    HG   LEU  45           HG       LEU  45  -5.407   4.304   1.486
  322   HD11  LEU  45          HD11      LEU  45  -3.703   4.619  -0.978
  323   HD12  LEU  45          HD12      LEU  45  -4.731   5.860  -0.258
  324   HD13  LEU  45          HD13      LEU  45  -5.452   4.405  -0.950
  325   HD21  LEU  45          HD21      LEU  45  -4.341   2.131   1.722
  326   HD22  LEU  45          HD22      LEU  45  -3.466   2.394   0.211
  327   HD23  LEU  45          HD23      LEU  45  -5.224   2.241   0.195
  328    H    MET  46           HN       MET  46  -2.723   6.295   4.237
  329    HA   MET  46           HA       MET  46   0.120   6.317   4.258
  330    HB2  MET  46           HB2      MET  46  -1.834   7.903   5.929
  331    HB3  MET  46           HB1      MET  46  -0.103   8.208   5.860
  332    HG2  MET  46           HG2      MET  46  -0.249   8.792   3.541
  333    HG3  MET  46           HG1      MET  46  -1.951   8.310   3.505
  334    HE1  MET  46           HE1      MET  46  -2.717  10.544   2.467
  335    HE2  MET  46           HE2      MET  46  -1.028  11.039   2.378
  336    HE3  MET  46           HE3      MET  46  -2.232  12.130   3.061
  337    H    GLU  47           HN       GLU  47  -2.277   5.196   6.488
  338    HA   GLU  47           HA       GLU  47  -0.518   4.763   8.674
  339    HB2  GLU  47           HB2      GLU  47  -2.987   5.008   8.872
  340    HB3  GLU  47           HB1      GLU  47  -3.183   3.472   8.052
  341    HG2  GLU  47           HG2      GLU  47  -2.134   2.306   9.867
  342    HG3  GLU  47           HG1      GLU  47  -1.749   3.831  10.668
  343    H    THR  48           HN       THR  48  -1.819   2.741   6.060
  344    HA   THR  48           HA       THR  48  -0.567   0.332   6.641
  345    HB   THR  48           HB       THR  48  -1.040   1.510   3.883
  346    HG1  THR  48           HG1      THR  48  -2.720   0.573   5.882
  347   HG21  THR  48          HG21      THR  48  -1.027  -1.351   4.898
  348   HG22  THR  48          HG22      THR  48   0.205  -0.618   3.870
  349   HG23  THR  48          HG23      THR  48  -1.435  -0.848   3.263
  350    H    ALA  49           HN       ALA  49   0.473   2.981   4.528
  351    HA   ALA  49           HA       ALA  49   2.973   2.109   3.749
  352    HB1  ALA  49           HB1      ALA  49   1.866   4.080   2.837
  353    HB2  ALA  49           HB2      ALA  49   3.499   4.469   3.393
  354    HB3  ALA  49           HB3      ALA  49   2.105   4.925   4.368
  355    H    ALA  50           HN       ALA  50   2.189   4.131   6.575
  356    HA   ALA  50           HA       ALA  50   4.778   4.367   7.588
  357    HB1  ALA  50           HB1      ALA  50   2.904   5.782   8.285
  358    HB2  ALA  50           HB2      ALA  50   3.720   5.051   9.670
  359    HB3  ALA  50           HB3      ALA  50   2.178   4.402   9.110
  360    H    ARG  51           HN       ARG  51   2.312   1.920   8.166
  361    HA   ARG  51           HA       ARG  51   3.853   0.603  10.152
  362    HB2  ARG  51           HB2      ARG  51   1.433   0.411  10.157
  363    HB3  ARG  51           HB1      ARG  51   1.459  -0.348   8.575
  364    HG2  ARG  51           HG2      ARG  51   2.426  -2.316   9.433
  365    HG3  ARG  51           HG1      ARG  51   2.798  -1.540  10.977
  366    HD2  ARG  51           HD2      ARG  51   0.475  -1.369  11.502
  367    HD3  ARG  51           HD1      ARG  51   0.025  -1.949   9.901
  368    HE   ARG  51           HE       ARG  51   1.094  -4.079  10.536
  369   HH11  ARG  51          HH11      ARG  51   0.143  -1.950  13.208
  370   HH12  ARG  51          HH12      ARG  51  -0.276  -3.250  14.219
  371   HH21  ARG  51          HH21      ARG  51   0.499  -5.792  11.898
  372   HH22  ARG  51          HH22      ARG  51  -0.153  -5.476  13.443
  373    H    LEU  52           HN       LEU  52   3.450   0.230   6.716
  374    HA   LEU  52           HA       LEU  52   4.978  -2.090   6.397
  375    HB2  LEU  52           HB2      LEU  52   4.275   0.172   4.576
  376    HB3  LEU  52           HB1      LEU  52   5.329  -1.129   4.035
  377    HG   LEU  52           HG       LEU  52   2.593  -1.652   5.181
  378   HD11  LEU  52          HD11      LEU  52   1.817  -1.910   2.893
  379   HD12  LEU  52          HD12      LEU  52   3.386  -1.380   2.285
  380   HD13  LEU  52          HD13      LEU  52   2.358  -0.257   3.175
  381   HD21  LEU  52          HD21      LEU  52   2.916  -3.774   4.011
  382   HD22  LEU  52          HD22      LEU  52   4.140  -3.482   5.246
  383   HD23  LEU  52          HD23      LEU  52   4.530  -3.248   3.540
  384    H    GLU  53           HN       GLU  53   5.925   1.268   6.655
  385    HA   GLU  53           HA       GLU  53   8.642   0.993   6.042
  386    HB2  GLU  53           HB2      GLU  53   7.376   2.820   8.087
  387    HB3  GLU  53           HB1      GLU  53   8.991   2.997   7.430
  388    HG2  GLU  53           HG2      GLU  53   8.012   3.354   5.210
  389    HG3  GLU  53           HG1      GLU  53   6.402   3.261   5.937
  390    H    SER  54           HN       SER  54   6.797   0.410   8.912
  391    HA   SER  54           HA       SER  54   9.039  -0.106  10.615
  392    HB2  SER  54           HB2      SER  54   6.992   0.880  11.496
  393    HB3  SER  54           HB1      SER  54   6.060  -0.513  10.961
  394    HG   SER  54           HG       SER  54   8.019  -0.343  12.978
  395    H    ARG  55           HN       ARG  55   6.954  -1.956   8.529
  396    HA   ARG  55           HA       ARG  55   7.633  -4.459   9.803
  397    HB2  ARG  55           HB2      ARG  55   5.375  -4.109   8.900
  398    HB3  ARG  55           HB1      ARG  55   6.054  -3.989   7.280
  399    HG2  ARG  55           HG2      ARG  55   6.816  -6.268   7.386
  400    HG3  ARG  55           HG1      ARG  55   6.279  -6.402   9.057
  401    HD2  ARG  55           HD2      ARG  55   3.958  -6.046   8.308
  402    HD3  ARG  55           HD1      ARG  55   4.528  -5.977   6.637
  403    HE   ARG  55           HE       ARG  55   5.521  -8.301   7.748
  404   HH11  ARG  55          HH11      ARG  55   2.213  -7.079   7.184
  405   HH12  ARG  55          HH12      ARG  55   1.589  -8.618   6.854
  406   HH21  ARG  55          HH21      ARG  55   4.689 -10.323   7.230
  407   HH22  ARG  55          HH22      ARG  55   3.049 -10.547   6.843
  408    H    TYR  56           HN       TYR  56   8.192  -3.075   6.556
  409    HA   TYR  56           HA       TYR  56  10.110  -5.240   6.143
  410    HB2  TYR  56           HB2      TYR  56   8.826  -3.351   4.165
  411    HB3  TYR  56           HB1      TYR  56  10.077  -4.512   3.740
  412    HD1  TYR  56           HD2      TYR  56   9.571  -6.907   3.660
  413    HD2  TYR  56           HD1      TYR  56   6.553  -4.088   4.678
  414    HE1  TYR  56           HE2      TYR  56   7.852  -8.630   3.318
  415    HE2  TYR  56           HE1      TYR  56   4.821  -5.811   4.340
  416    HH   TYR  56           HH       TYR  56   4.501  -7.965   3.149
  417    H    GLY  57           HN       GLY  57  10.065  -2.114   7.151
  418    HA2  GLY  57           HA2      GLY  57  11.763  -0.651   7.626
  419    HA3  GLY  57           HA1      GLY  57  12.897  -1.870   7.051
  420    H    VAL  58           HN       VAL  58  10.668   0.633   5.982
  421    HA   VAL  58           HA       VAL  58  12.422   1.105   3.720
  422    HB   VAL  58           HB       VAL  58  10.474   1.484   2.168
  423   HG11  VAL  58          HG11      VAL  58  10.764  -1.320   3.226
  424   HG12  VAL  58          HG12      VAL  58  11.778  -0.553   2.003
  425   HG13  VAL  58          HG13      VAL  58  10.077  -0.875   1.661
  426   HG21  VAL  58          HG21      VAL  58   8.911   0.060   4.321
  427   HG22  VAL  58          HG22      VAL  58   8.322   0.439   2.700
  428   HG23  VAL  58          HG23      VAL  58   8.709   1.741   3.824
  429    H    SER  59           HN       SER  59  11.566   3.192   2.502
  430    HA   SER  59           HA       SER  59  10.931   5.161   4.583
  431    HB2  SER  59           HB2      SER  59  12.585   5.597   2.074
  432    HB3  SER  59           HB1      SER  59  12.383   6.715   3.425
  433    HG   SER  59           HG       SER  59  13.292   4.831   4.691
  434    H    ILE  60           HN       ILE  60   8.780   5.593   4.252
  435    HA   ILE  60           HA       ILE  60   7.934   6.122   1.481
  436    HB   ILE  60           HB       ILE  60   6.238   4.841   3.643
  437   HG12  ILE  60          HG12      ILE  60   7.890   3.235   2.759
  438   HG13  ILE  60          HG11      ILE  60   6.255   2.799   2.285
  439   HG21  ILE  60          HG21      ILE  60   5.604   5.470   0.769
  440   HG22  ILE  60          HG22      ILE  60   4.906   6.235   2.201
  441   HG23  ILE  60          HG23      ILE  60   4.571   4.539   1.847
  442   HD11  ILE  60          HD11      ILE  60   7.827   2.448   0.474
  443   HD12  ILE  60          HD12      ILE  60   8.306   4.147   0.537
  444   HD13  ILE  60          HD13      ILE  60   6.664   3.708   0.059
  445    HA   PRO  61           HA       PRO  61   6.979   9.989   3.676
  446    HB2  PRO  61           HB2      PRO  61   6.347  10.859   0.920
  447    HB3  PRO  61           HB1      PRO  61   7.465  11.574   2.085
  448    HG2  PRO  61           HG2      PRO  61   8.358  10.264  -0.070
  449    HG3  PRO  61           HG1      PRO  61   9.201  10.162   1.487
  450    HD2  PRO  61           HD2      PRO  61   7.344   8.192   0.208
  451    HD3  PRO  61           HD1      PRO  61   8.865   7.904   1.084
  452    H    ASP  62           HN       ASP  62   5.071  10.495   4.458
  453    HA   ASP  62           HA       ASP  62   2.779   9.006   4.070
  454    HB2  ASP  62           HB2      ASP  62   1.552  10.673   5.394
  455    HB3  ASP  62           HB1      ASP  62   3.108  10.288   6.106
  456    H    ASP  63           HN       ASP  63   3.608  12.028   2.463
  457    HA   ASP  63           HA       ASP  63   1.014  12.619   1.509
  458    HB2  ASP  63           HB2      ASP  63   2.006  14.342   0.228
  459    HB3  ASP  63           HB1      ASP  63   2.992  14.217   1.677
  460    H    VAL  64           HN       VAL  64   3.447  10.473   0.427
  461    HA   VAL  64           HA       VAL  64   2.634  10.307  -2.306
  462    HB   VAL  64           HB       VAL  64   4.128   8.294  -0.664
  463   HG11  VAL  64          HG11      VAL  64   3.330   7.407  -2.804
  464   HG12  VAL  64          HG12      VAL  64   5.084   7.593  -2.872
  465   HG13  VAL  64          HG13      VAL  64   4.041   8.773  -3.664
  466   HG21  VAL  64          HG21      VAL  64   6.201   9.321  -1.544
  467   HG22  VAL  64          HG22      VAL  64   5.269  10.431  -0.540
  468   HG23  VAL  64          HG23      VAL  64   5.230  10.584  -2.297
  469    H    ALA  65           HN       ALA  65   1.810   8.650   0.668
  470    HA   ALA  65           HA       ALA  65   0.427   6.512  -0.634
  471    HB1  ALA  65           HB1      ALA  65  -0.328   5.878   1.599
  472    HB2  ALA  65           HB2      ALA  65   0.295   7.397   2.245
  473    HB3  ALA  65           HB3      ALA  65   1.405   6.201   1.582
  474    H    GLY  66           HN       GLY  66  -0.329   9.719   0.049
  475    HA2  GLY  66           HA2      GLY  66  -3.203   9.202  -0.237
  476    HA3  GLY  66           HA1      GLY  66  -2.482  10.735   0.250
  477    H    ARG  67           HN       ARG  67  -0.788   9.256  -2.217
  478    HA   ARG  67           HA       ARG  67  -1.993  11.034  -4.251
  479    HB2  ARG  67           HB2      ARG  67   0.399  11.407  -3.468
  480    HB3  ARG  67           HB1      ARG  67   0.790   9.860  -4.187
  481    HG2  ARG  67           HG2      ARG  67  -0.069  10.826  -6.374
  482    HG3  ARG  67           HG1      ARG  67  -0.059  12.393  -5.558
  483    HD2  ARG  67           HD2      ARG  67   2.282  10.559  -6.044
  484    HD3  ARG  67           HD1      ARG  67   2.013  12.151  -6.744
  485    HE   ARG  67           HE       ARG  67   2.056  12.650  -4.095
  486   HH11  ARG  67          HH11      ARG  67   4.337  10.994  -6.314
  487   HH12  ARG  67          HH12      ARG  67   5.687  11.270  -5.308
  488   HH21  ARG  67          HH21      ARG  67   4.065  13.043  -2.742
  489   HH22  ARG  67          HH22      ARG  67   5.530  12.435  -3.335
  490    H    VAL  68           HN       VAL  68  -1.800   7.856  -3.263
  491    HA   VAL  68           HA       VAL  68  -1.322   6.741  -5.888
  492    HB   VAL  68           HB       VAL  68  -1.338   4.522  -4.782
  493   HG11  VAL  68          HG11      VAL  68   0.702   4.771  -3.500
  494   HG12  VAL  68          HG12      VAL  68   0.386   6.489  -3.305
  495   HG13  VAL  68          HG13      VAL  68   0.741   5.851  -4.901
  496   HG21  VAL  68          HG21      VAL  68  -2.941   4.955  -2.970
  497   HG22  VAL  68          HG22      VAL  68  -1.781   6.044  -2.205
  498   HG23  VAL  68          HG23      VAL  68  -1.422   4.323  -2.336
  499    H    ASP  69           HN       ASP  69  -2.935   6.665  -7.264
  500    HA   ASP  69           HA       ASP  69  -5.694   6.533  -6.417
  501    HB2  ASP  69           HB2      ASP  69  -5.122   7.715  -8.527
  502    HB3  ASP  69           HB1      ASP  69  -4.535   6.208  -9.196
  503    H    THR  70           HN       THR  70  -3.267   4.330  -7.680
  504    HA   THR  70           HA       THR  70  -5.144   2.198  -7.105
  505    HB   THR  70           HB       THR  70  -4.292   0.960  -9.104
  506    HG1  THR  70           HG1      THR  70  -2.774   3.267  -9.351
  507   HG21  THR  70          HG21      THR  70  -5.644   3.582  -9.605
  508   HG22  THR  70          HG22      THR  70  -6.424   2.053  -9.169
  509   HG23  THR  70          HG23      THR  70  -5.619   2.224 -10.735
  510    HA   PRO  71           HA       PRO  71  -1.979   0.340  -4.769
  511    HB2  PRO  71           HB2      PRO  71  -2.731  -2.217  -6.079
  512    HB3  PRO  71           HB1      PRO  71  -2.644  -1.815  -4.358
  513    HG2  PRO  71           HG2      PRO  71  -4.999  -1.999  -5.509
  514    HG3  PRO  71           HG1      PRO  71  -4.668  -0.647  -4.404
  515    HD2  PRO  71           HD2      PRO  71  -4.653  -0.679  -7.403
  516    HD3  PRO  71           HD1      PRO  71  -5.388   0.502  -6.294
  517    H    ARG  72           HN       ARG  72  -1.963  -0.013  -8.220
  518    HA   ARG  72           HA       ARG  72   0.472  -1.393  -8.406
  519    HB2  ARG  72           HB2      ARG  72   0.641  -0.579 -10.731
  520    HB3  ARG  72           HB1      ARG  72  -0.968  -1.173 -10.374
  521    HG2  ARG  72           HG2      ARG  72  -1.767   1.115 -10.161
  522    HG3  ARG  72           HG1      ARG  72  -0.138   1.711 -10.474
  523    HD2  ARG  72           HD2      ARG  72  -1.442   1.841 -12.496
  524    HD3  ARG  72           HD1      ARG  72  -0.194   0.613 -12.680
  525    HE   ARG  72           HE       ARG  72  -3.058   0.120 -12.266
  526   HH11  ARG  72          HH11      ARG  72   0.140  -1.088 -13.238
  527   HH12  ARG  72          HH12      ARG  72  -0.469  -2.467 -14.023
  528   HH21  ARG  72          HH21      ARG  72  -3.899  -1.718 -13.524
  529   HH22  ARG  72          HH22      ARG  72  -2.821  -2.826 -14.200
  530    H    GLU  73           HN       GLU  73  -0.333   2.016  -7.952
  531    HA   GLU  73           HA       GLU  73   2.287   3.068  -8.208
  532    HB2  GLU  73           HB2      GLU  73  -0.226   4.044  -6.896
  533    HB3  GLU  73           HB1      GLU  73   1.257   4.891  -6.587
  534    HG2  GLU  73           HG2      GLU  73   0.163   6.089  -8.241
  535    HG3  GLU  73           HG1      GLU  73   1.423   5.199  -9.089
  536    H    LEU  74           HN       LEU  74   0.334   2.035  -5.494
  537    HA   LEU  74           HA       LEU  74   2.154   2.705  -3.451
  538    HB2  LEU  74           HB2      LEU  74  -0.374   2.220  -3.344
  539    HB3  LEU  74           HB1      LEU  74   0.051   0.531  -3.312
  540    HG   LEU  74           HG       LEU  74  -0.550   1.484  -1.105
  541   HD11  LEU  74          HD11      LEU  74   0.832  -0.498  -1.154
  542   HD12  LEU  74          HD12      LEU  74   1.307   0.551   0.184
  543   HD13  LEU  74          HD13      LEU  74   2.283   0.495  -1.282
  544   HD21  LEU  74          HD21      LEU  74   0.337   3.713  -1.369
  545   HD22  LEU  74          HD22      LEU  74   1.982   3.080  -1.425
  546   HD23  LEU  74          HD23      LEU  74   1.035   2.947   0.059
  547    H    LEU  75           HN       LEU  75   1.596  -0.290  -5.249
  548    HA   LEU  75           HA       LEU  75   3.419  -1.973  -3.955
  549    HB2  LEU  75           HB2      LEU  75   1.691  -2.706  -5.563
  550    HB3  LEU  75           HB1      LEU  75   2.559  -1.911  -6.852
  551    HG   LEU  75           HG       LEU  75   4.437  -3.507  -6.510
  552   HD11  LEU  75          HD11      LEU  75   2.510  -4.865  -4.633
  553   HD12  LEU  75          HD12      LEU  75   4.028  -4.086  -4.187
  554   HD13  LEU  75          HD13      LEU  75   4.043  -5.528  -5.203
  555   HD21  LEU  75          HD21      LEU  75   2.769  -3.884  -8.236
  556   HD22  LEU  75          HD22      LEU  75   1.737  -4.724  -7.082
  557   HD23  LEU  75          HD23      LEU  75   3.296  -5.414  -7.538
  558    H    ASP  76           HN       ASP  76   3.774  -0.038  -6.918
  559    HA   ASP  76           HA       ASP  76   6.452  -0.562  -7.496
  560    HB2  ASP  76           HB2      ASP  76   5.110   0.473  -9.166
  561    HB3  ASP  76           HB1      ASP  76   4.716   1.820  -8.112
  562    H    LEU  77           HN       LEU  77   5.047   2.006  -5.576
  563    HA   LEU  77           HA       LEU  77   7.241   3.534  -4.915
  564    HB2  LEU  77           HB2      LEU  77   4.991   4.145  -4.355
  565    HB3  LEU  77           HB1      LEU  77   4.824   2.756  -3.304
  566    HG   LEU  77           HG       LEU  77   6.545   3.752  -1.813
  567   HD11  LEU  77          HD11      LEU  77   6.212   6.172  -3.576
  568   HD12  LEU  77          HD12      LEU  77   7.668   5.192  -3.412
  569   HD13  LEU  77          HD13      LEU  77   7.072   6.122  -2.036
  570   HD21  LEU  77          HD21      LEU  77   4.067   5.384  -2.335
  571   HD22  LEU  77          HD22      LEU  77   5.017   5.401  -0.847
  572   HD23  LEU  77          HD23      LEU  77   4.175   3.933  -1.336
  573    H    ILE  78           HN       ILE  78   5.937   0.739  -3.132
  574    HA   ILE  78           HA       ILE  78   8.103   0.835  -1.297
  575    HB   ILE  78           HB       ILE  78   5.980  -1.307  -1.612
  576   HG12  ILE  78          HG12      ILE  78   6.169   1.092   0.215
  577   HG13  ILE  78          HG11      ILE  78   5.082   0.921  -1.156
  578   HG21  ILE  78          HG21      ILE  78   6.589  -1.935   0.696
  579   HG22  ILE  78          HG22      ILE  78   7.865  -0.719   0.694
  580   HG23  ILE  78          HG23      ILE  78   7.974  -2.110  -0.383
  581   HD11  ILE  78          HD11      ILE  78   5.082  -0.727   1.337
  582   HD12  ILE  78          HD12      ILE  78   3.995  -0.940  -0.038
  583   HD13  ILE  78          HD13      ILE  78   3.932   0.544   0.920
  584    H    ASN  79           HN       ASN  79   7.389  -1.001  -4.174
  585    HA   ASN  79           HA       ASN  79   9.425  -2.931  -3.912
  586    HB2  ASN  79           HB2      ASN  79   8.244  -1.694  -6.405
  587    HB3  ASN  79           HB1      ASN  79   9.454  -2.965  -6.463
  588   HD21  ASN  79          HD21      ASN  79   8.384  -4.399  -4.150
  589   HD22  ASN  79          HD22      ASN  79   6.925  -5.143  -4.704
  590    H    GLY  80           HN       GLY  80   9.520   0.360  -5.127
  591    HA2  GLY  80           HA2      GLY  80  12.260   0.318  -5.875
  592    HA3  GLY  80           HA1      GLY  80  11.304   1.759  -5.535
  593    H    ALA  81           HN       ALA  81  10.562   1.391  -2.987
  594    HA   ALA  81           HA       ALA  81  12.770   2.240  -1.508
  595    HB1  ALA  81           HB1      ALA  81  11.344   2.053   0.459
  596    HB2  ALA  81           HB2      ALA  81  10.207   1.057  -0.447
  597    HB3  ALA  81           HB3      ALA  81  10.452   2.747  -0.895
  598    H    LEU  82           HN       LEU  82  11.306  -0.968  -1.726
  599    HA   LEU  82           HA       LEU  82  12.877  -2.253   0.223
  600    HB2  LEU  82           HB2      LEU  82  11.425  -3.311  -2.180
  601    HB3  LEU  82           HB1      LEU  82  12.286  -4.350  -1.066
  602    HG   LEU  82           HG       LEU  82  10.023  -2.539  -0.230
  603   HD11  LEU  82          HD11      LEU  82  10.009  -5.478  -0.895
  604   HD12  LEU  82          HD12      LEU  82   9.249  -4.200  -1.843
  605   HD13  LEU  82          HD13      LEU  82   8.660  -4.563  -0.220
  606   HD21  LEU  82          HD21      LEU  82  10.006  -3.970   1.743
  607   HD22  LEU  82          HD22      LEU  82  11.569  -3.177   1.544
  608   HD23  LEU  82          HD23      LEU  82  11.378  -4.875   1.103
  609    H    ALA  83           HN       ALA  83  13.576  -1.442  -3.083
  610    HA   ALA  83           HA       ALA  83  15.770  -3.273  -3.296
  611    HB1  ALA  83           HB1      ALA  83  16.282  -2.112  -5.385
  612    HB2  ALA  83           HB2      ALA  83  15.112  -0.855  -4.980
  613    HB3  ALA  83           HB3      ALA  83  14.565  -2.504  -5.289
  614    H    GLU  84           HN       GLU  84  15.281  -0.118  -2.091
  615    HA   GLU  84           HA       GLU  84  18.110   0.520  -1.952
  616    HB2  GLU  84           HB2      GLU  84  16.497   2.278  -2.448
  617    HB3  GLU  84           HB1      GLU  84  15.656   1.954  -0.941
  618    HG2  GLU  84           HG2      GLU  84  17.604   2.680   0.311
  619    HG3  GLU  84           HG1      GLU  84  18.465   2.978  -1.202
  620    H    ALA  85           HN       ALA  85  15.472  -0.476   0.091
  621    HA   ALA  85           HA       ALA  85  16.671  -0.234   2.601
  622    HB1  ALA  85           HB1      ALA  85  14.554  -2.164   1.681
  623    HB2  ALA  85           HB2      ALA  85  14.272  -0.520   2.260
  624    HB3  ALA  85           HB3      ALA  85  14.919  -1.741   3.353
  625    H    ALA  86           HN       ALA  86  18.256  -1.299   3.435
  626    HA   ALA  86           HA       ALA  86  18.820  -4.023   2.505
  627    HB1  ALA  86           HB1      ALA  86  20.742  -1.985   3.648
  628    HB2  ALA  86           HB2      ALA  86  20.632  -2.458   1.955
  629    HB3  ALA  86           HB3      ALA  86  21.161  -3.628   3.164
  630    H28  SXV  87          H28A      SXV  87  -5.966  14.347   1.620
  631   H28A  SXV  87          H28B      SXV  87  -6.166  14.479   3.362
  632    H30  SXV  87          H30C      SXV  87  -2.627  14.712   4.217
  633   H30A  SXV  87          H30A      SXV  87  -3.580  13.228   4.171
  634   H30B  SXV  87          H30B      SXV  87  -4.279  14.703   4.837
  635    H31  SXV  87          H31C      SXV  87  -2.231  14.559   1.711
  636   H31A  SXV  87          H31A      SXV  87  -3.619  14.371   0.636
  637   H31B  SXV  87          H31B      SXV  87  -3.147  13.052   1.708
  638    H32  SXV  87          H32A      SXV  87  -4.814  16.647   3.383
  639   HO33  SXV  87          H33A      SXV  87  -5.894  16.701   1.572
  640   HN36  SXV  87          H36A      SXV  87  -3.531  17.969   1.026
  641    H37  SXV  87          H37B      SXV  87  -0.692  18.066   1.738
  642   H37A  SXV  87          H37A      SXV  87  -1.591  19.553   1.991
  643    H38  SXV  87          H38B      SXV  87  -2.054  19.695  -0.393
  644   H38A  SXV  87          H38A      SXV  87  -1.325  18.093  -0.632
  645   HN41  SXV  87          H41A      SXV  87  -0.226  19.531  -2.241
  646    H42  SXV  87          H42B      SXV  87   2.303  20.428  -1.067
  647   H42A  SXV  87          H42A      SXV  87   1.561  21.363  -2.335
  648    H43  SXV  87          H43B      SXV  87   2.270  18.466  -2.586
  649   H43A  SXV  87          H43A      SXV  87   2.031  19.566  -3.922
  650    H1   SXV  87           H1B      SXV  87   5.605  19.609  -0.982
  651    H1A  SXV  87           H1A      SXV  87   3.922  19.937  -0.525
  652    H2   SXV  87           H2A      SXV  87   4.986  17.309  -1.418
  653    H2A  SXV  87           H2B      SXV  87   3.281  17.666  -1.138
  654    H4   SXV  87           H4C      SXV  87   2.945  17.425   2.109
  655    H4A  SXV  87           H4A      SXV  87   2.822  18.852   1.073
  656    H4B  SXV  87           H4B      SXV  87   4.063  18.777   2.333
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  19.037  -8.810  -2.700
    2    H2   MET   1           HT2      MET   1  20.164  -8.076  -1.694
    3    H3   MET   1           HT3      MET   1  20.620  -8.531  -3.244
    4    HA   MET   1           HA       MET   1  20.262  -6.151  -3.016
    5    HB2  MET   1           HB2      MET   1  18.073  -7.466  -4.663
    6    HB3  MET   1           HB1      MET   1  18.674  -5.831  -4.875
    7    HG2  MET   1           HG2      MET   1  20.234  -8.367  -5.316
    8    HG3  MET   1           HG1      MET   1  19.566  -7.324  -6.566
    9    HE1  MET   1           HE1      MET   1  20.148  -4.421  -5.465
   10    HE2  MET   1           HE2      MET   1  20.478  -4.907  -7.127
   11    HE3  MET   1           HE3      MET   1  21.720  -4.080  -6.190
   12    H    ALA   2           HN       ALA   2  16.972  -7.460  -3.170
   13    HA   ALA   2           HA       ALA   2  16.103  -6.746  -0.638
   14    HB1  ALA   2           HB1      ALA   2  15.409  -4.720  -2.788
   15    HB2  ALA   2           HB2      ALA   2  16.406  -4.407  -1.367
   16    HB3  ALA   2           HB3      ALA   2  14.693  -4.787  -1.176
   17    H    THR   3           HN       THR   3  14.473  -8.090  -0.442
   18    HA   THR   3           HA       THR   3  13.334  -9.358  -2.721
   19    HB   THR   3           HB       THR   3  11.934 -10.422  -0.823
   20    HG1  THR   3           HG1      THR   3  12.130  -9.457   0.992
   21   HG21  THR   3          HG21      THR   3  13.829 -11.825  -0.097
   22   HG22  THR   3          HG22      THR   3  14.954 -10.631  -0.742
   23   HG23  THR   3          HG23      THR   3  13.891 -11.519  -1.833
   24    H    LEU   4           HN       LEU   4  11.938  -8.190  -3.909
   25    HA   LEU   4           HA       LEU   4  10.448  -6.014  -2.959
   26    HB2  LEU   4           HB2      LEU   4  10.030  -7.660  -5.449
   27    HB3  LEU   4           HB1      LEU   4   9.242  -6.131  -5.118
   28    HG   LEU   4           HG       LEU   4  12.210  -6.536  -5.497
   29   HD11  LEU   4          HD11      LEU   4  11.894  -5.300  -7.573
   30   HD12  LEU   4          HD12      LEU   4  10.154  -5.262  -7.287
   31   HD13  LEU   4          HD13      LEU   4  10.968  -6.802  -7.561
   32   HD21  LEU   4          HD21      LEU   4  11.733  -4.703  -3.946
   33   HD22  LEU   4          HD22      LEU   4  10.626  -3.989  -5.123
   34   HD23  LEU   4          HD23      LEU   4  12.346  -4.092  -5.481
   35    H    LEU   5           HN       LEU   5   8.372  -5.761  -2.399
   36    HA   LEU   5           HA       LEU   5   7.162  -7.958  -1.101
   37    HB2  LEU   5           HB2      LEU   5   5.498  -6.477  -0.320
   38    HB3  LEU   5           HB1      LEU   5   6.986  -5.569  -0.330
   39    HG   LEU   5           HG       LEU   5   4.887  -5.333  -2.487
   40   HD11  LEU   5          HD11      LEU   5   5.284  -3.653  -0.029
   41   HD12  LEU   5          HD12      LEU   5   3.919  -4.715  -0.362
   42   HD13  LEU   5          HD13      LEU   5   4.186  -3.281  -1.357
   43   HD21  LEU   5          HD21      LEU   5   7.232  -3.579  -1.733
   44   HD22  LEU   5          HD22      LEU   5   5.969  -3.133  -2.870
   45   HD23  LEU   5          HD23      LEU   5   7.025  -4.484  -3.244
   46    H    THR   6           HN       THR   6   5.206  -8.914  -1.560
   47    HA   THR   6           HA       THR   6   4.662  -8.999  -4.404
   48    HB   THR   6           HB       THR   6   3.436 -11.085  -3.833
   49    HG1  THR   6           HG1      THR   6   4.539 -10.732  -1.209
   50   HG21  THR   6          HG21      THR   6   5.815 -11.186  -4.474
   51   HG22  THR   6          HG22      THR   6   5.429 -12.429  -3.282
   52   HG23  THR   6          HG23      THR   6   6.276 -10.964  -2.786
   53    H    THR   7           HN       THR   7   2.195  -9.728  -4.679
   54    HA   THR   7           HA       THR   7   0.494  -7.626  -4.073
   55    HB   THR   7           HB       THR   7  -1.206  -9.502  -4.701
   56    HG1  THR   7           HG1      THR   7  -0.354 -11.411  -5.182
   57   HG21  THR   7          HG21      THR   7  -0.402  -7.773  -6.276
   58   HG22  THR   7          HG22      THR   7  -0.573  -9.336  -7.073
   59   HG23  THR   7          HG23      THR   7   1.026  -8.752  -6.610
   60    H    ASP   8           HN       ASP   8   1.122 -10.755  -2.649
   61    HA   ASP   8           HA       ASP   8  -0.837 -10.894  -0.668
   62    HB2  ASP   8           HB2      ASP   8   0.530 -12.818  -1.217
   63    HB3  ASP   8           HB1      ASP   8   1.981 -11.986  -0.672
   64    H    ASP   9           HN       ASP   9   2.468  -9.674  -0.467
   65    HA   ASP   9           HA       ASP   9   2.432  -8.911   2.244
   66    HB2  ASP   9           HB2      ASP   9   4.045  -7.654   0.019
   67    HB3  ASP   9           HB1      ASP   9   4.326  -7.396   1.734
   68    H    LEU  10           HN       LEU  10   1.664  -7.069  -0.643
   69    HA   LEU  10           HA       LEU  10   1.125  -4.635   0.703
   70    HB2  LEU  10           HB2      LEU  10   1.656  -4.798  -1.698
   71    HB3  LEU  10           HB1      LEU  10   0.134  -5.619  -1.976
   72    HG   LEU  10           HG       LEU  10  -1.073  -3.575  -1.289
   73   HD11  LEU  10          HD11      LEU  10   0.608  -2.631   0.200
   74   HD12  LEU  10          HD12      LEU  10   0.158  -1.472  -1.052
   75   HD13  LEU  10          HD13      LEU  10   1.681  -2.353  -1.171
   76   HD21  LEU  10          HD21      LEU  10   0.964  -3.175  -3.477
   77   HD22  LEU  10          HD22      LEU  10  -0.537  -2.267  -3.284
   78   HD23  LEU  10          HD23      LEU  10  -0.590  -3.993  -3.640
   79    H    ARG  11           HN       ARG  11  -0.877  -7.330  -0.362
   80    HA   ARG  11           HA       ARG  11  -3.419  -6.380   0.253
   81    HB2  ARG  11           HB2      ARG  11  -2.969  -8.448  -1.000
   82    HB3  ARG  11           HB1      ARG  11  -2.353  -9.197   0.463
   83    HG2  ARG  11           HG2      ARG  11  -4.593  -8.998   1.470
   84    HG3  ARG  11           HG1      ARG  11  -5.184  -8.323  -0.053
   85    HD2  ARG  11           HD2      ARG  11  -3.972 -11.056   0.354
   86    HD3  ARG  11           HD1      ARG  11  -5.674 -10.698   0.075
   87    HE   ARG  11           HE       ARG  11  -4.989  -9.855  -2.132
   88   HH11  ARG  11          HH11      ARG  11  -2.910 -12.160  -0.446
   89   HH12  ARG  11          HH12      ARG  11  -2.279 -12.879  -1.857
   90   HH21  ARG  11          HH21      ARG  11  -4.013 -10.741  -4.139
   91   HH22  ARG  11          HH22      ARG  11  -2.875 -11.980  -4.017
   92    H    ARG  12           HN       ARG  12  -1.102  -8.161   2.237
   93    HA   ARG  12           HA       ARG  12  -2.518  -8.486   4.587
   94    HB2  ARG  12           HB2      ARG  12   0.418  -7.854   4.271
   95    HB3  ARG  12           HB1      ARG  12  -0.322  -8.416   5.758
   96    HG2  ARG  12           HG2      ARG  12  -0.918 -10.513   4.667
   97    HG3  ARG  12           HG1      ARG  12  -0.182  -9.935   3.166
   98    HD2  ARG  12           HD2      ARG  12   1.968  -9.744   4.273
   99    HD3  ARG  12           HD1      ARG  12   1.247 -10.257   5.794
  100    HE   ARG  12           HE       ARG  12   1.476 -11.966   3.398
  101   HH11  ARG  12          HH11      ARG  12   1.343 -11.559   6.924
  102   HH12  ARG  12          HH12      ARG  12   1.861 -13.137   7.287
  103   HH21  ARG  12          HH21      ARG  12   2.189 -14.153   3.885
  104   HH22  ARG  12          HH22      ARG  12   2.338 -14.648   5.521
  105    H    ALA  13           HN       ALA  13  -0.436  -5.768   3.697
  106    HA   ALA  13           HA       ALA  13  -0.892  -4.292   6.059
  107    HB1  ALA  13           HB1      ALA  13   0.027  -3.282   3.379
  108    HB2  ALA  13           HB2      ALA  13   1.060  -3.965   4.637
  109    HB3  ALA  13           HB3      ALA  13   0.197  -2.454   4.926
  110    H    LEU  14           HN       LEU  14  -2.502  -4.318   2.947
  111    HA   LEU  14           HA       LEU  14  -4.151  -2.074   3.423
  112    HB2  LEU  14           HB2      LEU  14  -4.464  -4.430   1.574
  113    HB3  LEU  14           HB1      LEU  14  -5.622  -3.120   1.637
  114    HG   LEU  14           HG       LEU  14  -2.706  -2.766   0.920
  115   HD11  LEU  14          HD11      LEU  14  -3.866  -4.118  -0.749
  116   HD12  LEU  14          HD12      LEU  14  -3.508  -2.505  -1.370
  117   HD13  LEU  14          HD13      LEU  14  -5.144  -2.904  -0.847
  118   HD21  LEU  14          HD21      LEU  14  -5.083  -0.920   0.699
  119   HD22  LEU  14          HD22      LEU  14  -3.450  -0.570   0.135
  120   HD23  LEU  14          HD23      LEU  14  -3.766  -0.771   1.859
  121    H    VAL  15           HN       VAL  15  -4.347  -5.390   4.398
  122    HA   VAL  15           HA       VAL  15  -7.047  -5.059   5.350
  123    HB   VAL  15           HB       VAL  15  -5.079  -7.322   5.909
  124   HG11  VAL  15          HG11      VAL  15  -8.062  -7.176   6.375
  125   HG12  VAL  15          HG12      VAL  15  -6.816  -7.166   7.624
  126   HG13  VAL  15          HG13      VAL  15  -7.045  -8.596   6.619
  127   HG21  VAL  15          HG21      VAL  15  -7.365  -7.154   3.942
  128   HG22  VAL  15          HG22      VAL  15  -6.380  -8.583   4.261
  129   HG23  VAL  15          HG23      VAL  15  -5.647  -7.151   3.543
  130    H    GLU  16           HN       GLU  16  -3.785  -5.086   6.697
  131    HA   GLU  16           HA       GLU  16  -4.387  -4.921   9.421
  132    HB2  GLU  16           HB2      GLU  16  -1.980  -3.713   8.004
  133    HB3  GLU  16           HB1      GLU  16  -2.155  -3.969   9.732
  134    HG2  GLU  16           HG2      GLU  16  -2.332  -6.355   9.383
  135    HG3  GLU  16           HG1      GLU  16  -2.168  -6.109   7.646
  136    H    SER  17           HN       SER  17  -4.610  -2.480   7.026
  137    HA   SER  17           HA       SER  17  -4.675  -0.343   8.981
  138    HB2  SER  17           HB2      SER  17  -5.031  -0.188   5.985
  139    HB3  SER  17           HB1      SER  17  -4.658   1.142   7.083
  140    HG   SER  17           HG       SER  17  -3.026  -1.069   6.382
  141    H    ALA  18           HN       ALA  18  -6.902  -2.540   7.956
  142    HA   ALA  18           HA       ALA  18  -9.122  -0.648   8.385
  143    HB1  ALA  18           HB1      ALA  18 -10.470  -1.781   6.698
  144    HB2  ALA  18           HB2      ALA  18  -9.133  -2.874   6.347
  145    HB3  ALA  18           HB3      ALA  18  -8.983  -1.156   5.985
  146    H    GLY  19           HN       GLY  19  -8.091  -4.021   8.447
  147    HA2  GLY  19           HA2      GLY  19  -8.475  -5.519  10.165
  148    HA3  GLY  19           HA1      GLY  19  -9.778  -4.487  10.761
  149    H    GLU  20           HN       GLU  20 -11.039  -6.472  10.838
  150    HA   GLU  20           HA       GLU  20 -11.828  -7.513   8.256
  151    HB2  GLU  20           HB2      GLU  20 -13.169  -9.143   9.511
  152    HB3  GLU  20           HB1      GLU  20 -11.517  -9.134  10.097
  153    HG2  GLU  20           HG2      GLU  20 -13.765  -7.657  11.461
  154    HG3  GLU  20           HG1      GLU  20 -13.332  -9.317  11.838
  155    H    THR  21           HN       THR  21 -12.603  -5.216  10.354
  156    HA   THR  21           HA       THR  21 -15.436  -5.015   9.956
  157    HB   THR  21           HB       THR  21 -13.577  -2.946  11.153
  158    HG1  THR  21           HG1      THR  21 -14.825  -5.278  12.180
  159   HG21  THR  21          HG21      THR  21 -15.872  -2.167  10.670
  160   HG22  THR  21          HG22      THR  21 -15.591  -2.287  12.409
  161   HG23  THR  21          HG23      THR  21 -16.520  -3.533  11.578
  162    H    ASP  22           HN       ASP  22 -15.008  -5.073   7.592
  163    HA   ASP  22           HA       ASP  22 -15.846  -2.620   6.506
  164    HB2  ASP  22           HB2      ASP  22 -13.392  -2.110   6.485
  165    HB3  ASP  22           HB1      ASP  22 -13.133  -3.544   5.491
  166    H    GLY  23           HN       GLY  23 -14.026  -5.469   5.475
  167    HA2  GLY  23           HA2      GLY  23 -15.259  -7.384   4.619
  168    HA3  GLY  23           HA1      GLY  23 -16.415  -6.252   3.928
  169    H    THR  24           HN       THR  24 -13.049  -5.509   3.726
  170    HA   THR  24           HA       THR  24 -13.139  -6.211   0.885
  171    HB   THR  24           HB       THR  24 -11.681  -3.895   2.191
  172    HG1  THR  24           HG1      THR  24 -13.657  -3.172   2.043
  173   HG21  THR  24          HG21      THR  24 -11.959  -4.643  -0.733
  174   HG22  THR  24          HG22      THR  24 -10.481  -4.768   0.218
  175   HG23  THR  24          HG23      THR  24 -11.187  -3.183  -0.114
  176    H    ASP  25           HN       ASP  25 -12.181  -8.275   1.242
  177    HA   ASP  25           HA       ASP  25  -9.371  -8.197   2.051
  178    HB2  ASP  25           HB2      ASP  25 -10.900 -10.210   2.613
  179    HB3  ASP  25           HB1      ASP  25 -10.870 -10.575   0.889
  180    H    LEU  26           HN       LEU  26  -7.770  -8.474   0.466
  181    HA   LEU  26           HA       LEU  26  -8.726  -7.444  -2.069
  182    HB2  LEU  26           HB2      LEU  26  -5.917  -7.643  -0.978
  183    HB3  LEU  26           HB1      LEU  26  -6.297  -7.014  -2.561
  184    HG   LEU  26           HG       LEU  26  -5.882  -5.164  -1.164
  185   HD11  LEU  26          HD11      LEU  26  -7.967  -3.910  -1.196
  186   HD12  LEU  26          HD12      LEU  26  -8.845  -5.409  -1.513
  187   HD13  LEU  26          HD13      LEU  26  -7.675  -4.807  -2.686
  188   HD21  LEU  26          HD21      LEU  26  -7.895  -6.261   0.809
  189   HD22  LEU  26          HD22      LEU  26  -7.098  -4.694   0.936
  190   HD23  LEU  26          HD23      LEU  26  -6.149  -6.176   1.039
  191    H    SER  27           HN       SER  27  -9.626  -9.757  -2.177
  192    HA   SER  27           HA       SER  27  -7.823 -11.770  -3.094
  193    HB2  SER  27           HB2      SER  27 -10.045 -12.977  -3.375
  194    HB3  SER  27           HB1      SER  27  -9.596 -12.492  -1.738
  195    HG   SER  27           HG       SER  27 -11.784 -11.909  -3.011
  196    H    GLY  28           HN       GLY  28  -8.059 -12.827  -5.141
  197    HA2  GLY  28           HA2      GLY  28  -8.366 -12.928  -7.412
  198    HA3  GLY  28           HA1      GLY  28  -9.473 -11.557  -7.294
  199    H    ASP  29           HN       ASP  29  -8.800  -9.699  -8.034
  200    HA   ASP  29           HA       ASP  29  -5.922  -9.155  -8.005
  201    HB2  ASP  29           HB2      ASP  29  -6.671  -9.743 -10.335
  202    HB3  ASP  29           HB1      ASP  29  -7.755  -8.354 -10.271
  203    H    PHE  30           HN       PHE  30  -5.531  -7.331  -7.014
  204    HA   PHE  30           HA       PHE  30  -7.797  -5.506  -6.716
  205    HB2  PHE  30           HB2      PHE  30  -6.909  -4.835  -4.558
  206    HB3  PHE  30           HB1      PHE  30  -7.181  -6.569  -4.610
  207    HD1  PHE  30           HD2      PHE  30  -5.193  -8.082  -4.917
  208    HD2  PHE  30           HD1      PHE  30  -4.797  -3.945  -4.026
  209    HE1  PHE  30           HE2      PHE  30  -2.892  -8.468  -4.194
  210    HE2  PHE  30           HE1      PHE  30  -2.479  -4.320  -3.298
  211    HZ   PHE  30           HZ       PHE  30  -1.551  -6.543  -3.269
  212    H    LEU  31           HN       LEU  31  -5.105  -5.730  -8.501
  213    HA   LEU  31           HA       LEU  31  -3.910  -3.187  -7.805
  214    HB2  LEU  31           HB2      LEU  31  -3.328  -5.029 -10.134
  215    HB3  LEU  31           HB1      LEU  31  -2.425  -3.586  -9.744
  216    HG   LEU  31           HG       LEU  31  -1.126  -5.387  -9.074
  217   HD11  LEU  31          HD11      LEU  31  -0.890  -5.160  -6.658
  218   HD12  LEU  31          HD12      LEU  31  -2.434  -4.309  -6.605
  219   HD13  LEU  31          HD13      LEU  31  -1.071  -3.612  -7.483
  220   HD21  LEU  31          HD21      LEU  31  -1.873  -7.192  -7.581
  221   HD22  LEU  31          HD22      LEU  31  -2.764  -7.130  -9.108
  222   HD23  LEU  31          HD23      LEU  31  -3.510  -6.519  -7.633
  223    H    ASP  32           HN       ASP  32  -6.201  -4.477  -9.961
  224    HA   ASP  32           HA       ASP  32  -6.164  -2.283 -11.819
  225    HB2  ASP  32           HB2      ASP  32  -6.718  -4.555 -12.552
  226    HB3  ASP  32           HB1      ASP  32  -8.123  -4.569 -11.497
  227    H    LEU  33           HN       LEU  33  -7.526  -2.614  -8.733
  228    HA   LEU  33           HA       LEU  33  -9.723  -0.871  -9.495
  229    HB2  LEU  33           HB2      LEU  33 -10.803  -1.497  -7.321
  230    HB3  LEU  33           HB1      LEU  33 -10.666  -2.776  -8.498
  231    HG   LEU  33           HG       LEU  33  -8.640  -3.583  -7.157
  232   HD11  LEU  33          HD11      LEU  33  -8.562  -2.975  -4.800
  233   HD12  LEU  33          HD12      LEU  33  -9.799  -1.747  -5.073
  234   HD13  LEU  33          HD13      LEU  33  -8.220  -1.594  -5.843
  235   HD21  LEU  33          HD21      LEU  33 -10.049  -4.758  -5.540
  236   HD22  LEU  33          HD22      LEU  33 -10.771  -4.731  -7.148
  237   HD23  LEU  33          HD23      LEU  33 -11.374  -3.648  -5.892
  238    H    ARG  34           HN       ARG  34 -10.226   0.943  -8.419
  239    HA   ARG  34           HA       ARG  34  -8.011   2.413  -7.288
  240    HB2  ARG  34           HB2      ARG  34 -10.914   3.092  -7.754
  241    HB3  ARG  34           HB1      ARG  34  -9.783   4.205  -7.014
  242    HG2  ARG  34           HG2      ARG  34  -9.395   3.033  -9.754
  243    HG3  ARG  34           HG1      ARG  34 -10.238   4.555  -9.453
  244    HD2  ARG  34           HD2      ARG  34  -8.216   5.425  -8.351
  245    HD3  ARG  34           HD1      ARG  34  -7.384   3.920  -8.716
  246    HE   ARG  34           HE       ARG  34  -7.572   4.464 -11.057
  247   HH11  ARG  34          HH11      ARG  34  -8.441   7.166  -8.895
  248   HH12  ARG  34          HH12      ARG  34  -7.839   8.370  -9.912
  249   HH21  ARG  34          HH21      ARG  34  -6.780   6.141 -12.494
  250   HH22  ARG  34          HH22      ARG  34  -6.899   7.776 -12.054
  251    H    PHE  35           HN       PHE  35  -7.987   3.342  -5.170
  252    HA   PHE  35           HA       PHE  35  -9.170   1.728  -3.131
  253    HB2  PHE  35           HB2      PHE  35  -7.715   4.379  -2.940
  254    HB3  PHE  35           HB1      PHE  35  -8.183   3.386  -1.561
  255    HD1  PHE  35           HD2      PHE  35  -7.296   0.964  -1.559
  256    HD2  PHE  35           HD1      PHE  35  -5.634   4.103  -3.886
  257    HE1  PHE  35           HE2      PHE  35  -5.185  -0.283  -1.718
  258    HE2  PHE  35           HE1      PHE  35  -3.521   2.867  -4.057
  259    HZ   PHE  35           HZ       PHE  35  -3.290   0.672  -2.973
  260    H    GLU  36           HN       GLU  36  -9.859   4.646  -4.776
  261    HA   GLU  36           HA       GLU  36 -11.956   5.825  -3.410
  262    HB2  GLU  36           HB2      GLU  36 -11.745   5.267  -6.373
  263    HB3  GLU  36           HB1      GLU  36 -12.795   6.460  -5.634
  264    HG2  GLU  36           HG2      GLU  36 -10.949   7.805  -5.002
  265    HG3  GLU  36           HG1      GLU  36  -9.803   6.527  -5.417
  266    H    ASP  37           HN       ASP  37 -11.866   2.938  -5.396
  267    HA   ASP  37           HA       ASP  37 -14.689   2.531  -5.508
  268    HB2  ASP  37           HB2      ASP  37 -13.267   1.761  -7.321
  269    HB3  ASP  37           HB1      ASP  37 -12.397   0.697  -6.222
  270    H    ILE  38           HN       ILE  38 -12.039   1.143  -3.633
  271    HA   ILE  38           HA       ILE  38 -13.921  -0.580  -2.262
  272    HB   ILE  38           HB       ILE  38 -11.970  -1.474  -1.001
  273   HG12  ILE  38          HG12      ILE  38 -10.384   0.386  -2.803
  274   HG13  ILE  38          HG11      ILE  38 -10.506   0.486  -1.050
  275   HG21  ILE  38          HG21      ILE  38 -12.757  -2.544  -2.998
  276   HG22  ILE  38          HG22      ILE  38 -10.990  -2.641  -2.908
  277   HG23  ILE  38          HG23      ILE  38 -11.766  -1.467  -3.988
  278   HD11  ILE  38          HD11      ILE  38  -8.373  -0.470  -1.725
  279   HD12  ILE  38          HD12      ILE  38  -9.205  -1.738  -2.613
  280   HD13  ILE  38          HD13      ILE  38  -9.335  -1.669  -0.856
  281    H    GLY  39           HN       GLY  39 -13.774   2.354  -1.978
  282    HA2  GLY  39           HA2      GLY  39 -14.225   3.968  -0.357
  283    HA3  GLY  39           HA1      GLY  39 -14.837   2.625   0.594
  284    H    TYR  40           HN       TYR  40 -11.555   3.371  -0.496
  285    HA   TYR  40           HA       TYR  40 -10.692   3.070   2.294
  286    HB2  TYR  40           HB2      TYR  40  -9.937   1.667   0.092
  287    HB3  TYR  40           HB1      TYR  40  -8.723   2.941   0.105
  288    HD1  TYR  40           HD1      TYR  40  -7.142   3.125   1.896
  289    HD2  TYR  40           HD2      TYR  40 -10.015   0.004   1.844
  290    HE1  TYR  40           HE1      TYR  40  -5.846   1.934   3.586
  291    HE2  TYR  40           HE2      TYR  40  -8.726  -1.219   3.538
  292    HH   TYR  40           HH       TYR  40  -6.161   0.217   5.253
  293    H    ASP  41           HN       ASP  41  -9.612   4.722   3.229
  294    HA   ASP  41           HA       ASP  41  -9.458   7.241   1.784
  295    HB2  ASP  41           HB2      ASP  41  -9.089   6.537   4.673
  296    HB3  ASP  41           HB1      ASP  41  -8.537   8.081   4.053
  297    H    SER  42           HN       SER  42  -7.671   8.512   1.572
  298    HA   SER  42           HA       SER  42  -5.212   7.308   0.981
  299    HB2  SER  42           HB2      SER  42  -4.489   9.772   1.021
  300    HB3  SER  42           HB1      SER  42  -5.799   9.339  -0.092
  301    H    LEU  43           HN       LEU  43  -6.543   8.814   3.778
  302    HA   LEU  43           HA       LEU  43  -4.393   9.171   5.514
  303    HB2  LEU  43           HB2      LEU  43  -7.123   8.100   6.232
  304    HB3  LEU  43           HB1      LEU  43  -6.003   8.895   7.313
  305    HG   LEU  43           HG       LEU  43  -7.382  10.222   4.979
  306   HD11  LEU  43          HD11      LEU  43  -8.958   9.581   6.718
  307   HD12  LEU  43          HD12      LEU  43  -8.728  11.330   6.688
  308   HD13  LEU  43          HD13      LEU  43  -7.948  10.359   7.936
  309   HD21  LEU  43          HD21      LEU  43  -6.578  12.289   6.004
  310   HD22  LEU  43          HD22      LEU  43  -5.237  11.239   5.547
  311   HD23  LEU  43          HD23      LEU  43  -5.733  11.353   7.236
  312    H    ALA  44           HN       ALA  44  -6.375   6.318   4.868
  313    HA   ALA  44           HA       ALA  44  -5.024   4.669   6.756
  314    HB1  ALA  44           HB1      ALA  44  -6.457   2.892   5.911
  315    HB2  ALA  44           HB2      ALA  44  -6.978   3.929   4.583
  316    HB3  ALA  44           HB3      ALA  44  -7.388   4.349   6.245
  317    H    LEU  45           HN       LEU  45  -4.799   5.297   3.328
  318    HA   LEU  45           HA       LEU  45  -3.157   3.134   2.600
  319    HB2  LEU  45           HB2      LEU  45  -3.224   5.936   1.486
  320    HB3  LEU  45           HB1      LEU  45  -2.424   4.576   0.724
  321    HG   LEU  45           HG       LEU  45  -5.382   4.822   1.213
  322   HD11  LEU  45          HD11      LEU  45  -3.763   4.983  -1.326
  323   HD12  LEU  45          HD12      LEU  45  -4.580   6.330  -0.532
  324   HD13  LEU  45          HD13      LEU  45  -5.522   5.008  -1.219
  325   HD21  LEU  45          HD21      LEU  45  -3.768   2.711  -0.197
  326   HD22  LEU  45          HD22      LEU  45  -5.529   2.790  -0.127
  327   HD23  LEU  45          HD23      LEU  45  -4.599   2.524   1.347
  328    H    MET  46           HN       MET  46  -2.465   6.265   3.952
  329    HA   MET  46           HA       MET  46   0.343   6.149   3.917
  330    HB2  MET  46           HB2      MET  46  -1.513   7.528   5.861
  331    HB3  MET  46           HB1      MET  46   0.226   7.778   5.809
  332    HG2  MET  46           HG2      MET  46   0.073   8.750   3.603
  333    HG3  MET  46           HG1      MET  46  -1.624   8.293   3.515
  334    HE1  MET  46           HE1      MET  46   0.131   9.745   6.729
  335    HE2  MET  46           HE2      MET  46  -0.133  11.476   6.518
  336    HE3  MET  46           HE3      MET  46   0.948  10.608   5.427
  337    H    GLU  47           HN       GLU  47  -2.042   4.898   6.165
  338    HA   GLU  47           HA       GLU  47  -0.120   4.025   8.071
  339    HB2  GLU  47           HB2      GLU  47  -2.483   4.533   8.659
  340    HB3  GLU  47           HB1      GLU  47  -2.989   3.134   7.725
  341    HG2  GLU  47           HG2      GLU  47  -1.810   1.655   9.220
  342    HG3  GLU  47           HG1      GLU  47  -1.166   3.027  10.118
  343    H    THR  48           HN       THR  48  -1.839   2.534   5.374
  344    HA   THR  48           HA       THR  48  -1.012  -0.102   5.548
  345    HB   THR  48           HB       THR  48  -1.259   1.646   3.081
  346    HG1  THR  48           HG1      THR  48  -3.055   0.744   4.841
  347   HG21  THR  48          HG21      THR  48  -0.073  -0.463   2.592
  348   HG22  THR  48          HG22      THR  48  -1.678  -0.444   1.860
  349   HG23  THR  48          HG23      THR  48  -1.393  -1.369   3.333
  350    H    ALA  49           HN       ALA  49   0.593   2.600   3.904
  351    HA   ALA  49           HA       ALA  49   2.961   1.334   3.185
  352    HB1  ALA  49           HB1      ALA  49   3.899   3.587   3.044
  353    HB2  ALA  49           HB2      ALA  49   2.517   4.225   3.936
  354    HB3  ALA  49           HB3      ALA  49   2.286   3.523   2.332
  355    H    ALA  50           HN       ALA  50   2.108   3.135   6.108
  356    HA   ALA  50           HA       ALA  50   4.551   3.069   7.438
  357    HB1  ALA  50           HB1      ALA  50   1.795   3.073   8.652
  358    HB2  ALA  50           HB2      ALA  50   2.671   4.494   8.082
  359    HB3  ALA  50           HB3      ALA  50   3.290   3.566   9.450
  360    H    ARG  51           HN       ARG  51   1.971   0.683   7.362
  361    HA   ARG  51           HA       ARG  51   2.883  -1.055   9.393
  362    HB2  ARG  51           HB2      ARG  51   1.475  -1.815   6.815
  363    HB3  ARG  51           HB1      ARG  51   1.616  -2.830   8.238
  364    HG2  ARG  51           HG2      ARG  51   0.083  -0.250   8.026
  365    HG3  ARG  51           HG1      ARG  51  -0.597  -1.876   8.057
  366    HD2  ARG  51           HD2      ARG  51   0.310  -2.201  10.303
  367    HD3  ARG  51           HD1      ARG  51   0.979  -0.571  10.264
  368    HE   ARG  51           HE       ARG  51  -1.686  -0.269   9.738
  369   HH11  ARG  51          HH11      ARG  51   0.292  -1.450  12.414
  370   HH12  ARG  51          HH12      ARG  51  -0.901  -1.225  13.612
  371   HH21  ARG  51          HH21      ARG  51  -3.300   0.209  11.389
  372   HH22  ARG  51          HH22      ARG  51  -3.000  -0.234  13.007
  373    H    LEU  52           HN       LEU  52   3.310  -1.204   5.930
  374    HA   LEU  52           HA       LEU  52   5.198  -3.286   6.005
  375    HB2  LEU  52           HB2      LEU  52   4.541  -1.355   3.804
  376    HB3  LEU  52           HB1      LEU  52   5.633  -2.718   3.610
  377    HG   LEU  52           HG       LEU  52   2.730  -2.934   4.403
  378   HD11  LEU  52          HD11      LEU  52   4.070  -3.499   1.775
  379   HD12  LEU  52          HD12      LEU  52   2.917  -2.203   2.121
  380   HD13  LEU  52          HD13      LEU  52   2.399  -3.884   2.184
  381   HD21  LEU  52          HD21      LEU  52   3.040  -5.331   4.015
  382   HD22  LEU  52          HD22      LEU  52   4.081  -4.744   5.311
  383   HD23  LEU  52          HD23      LEU  52   4.756  -5.058   3.710
  384    H    GLU  53           HN       GLU  53   5.675   0.163   6.291
  385    HA   GLU  53           HA       GLU  53   8.373   0.354   5.677
  386    HB2  GLU  53           HB2      GLU  53   6.882   1.794   7.860
  387    HB3  GLU  53           HB1      GLU  53   8.525   2.174   7.385
  388    HG2  GLU  53           HG2      GLU  53   7.622   2.625   5.087
  389    HG3  GLU  53           HG1      GLU  53   6.011   2.498   5.800
  390    H    SER  54           HN       SER  54   6.991  -0.165   8.895
  391    HA   SER  54           HA       SER  54   9.396  -0.654  10.229
  392    HB2  SER  54           HB2      SER  54   6.627  -1.635  10.926
  393    HB3  SER  54           HB1      SER  54   7.980  -1.388  12.036
  394    HG   SER  54           HG       SER  54   7.910   0.858  11.169
  395    H    ARG  55           HN       ARG  55   7.460  -2.637   8.242
  396    HA   ARG  55           HA       ARG  55   8.371  -5.116   9.367
  397    HB2  ARG  55           HB2      ARG  55   6.099  -4.956   8.574
  398    HB3  ARG  55           HB1      ARG  55   6.650  -4.525   6.969
  399    HG2  ARG  55           HG2      ARG  55   7.466  -6.714   6.573
  400    HG3  ARG  55           HG1      ARG  55   7.263  -7.168   8.268
  401    HD2  ARG  55           HD2      ARG  55   5.008  -6.371   6.430
  402    HD3  ARG  55           HD1      ARG  55   5.469  -8.038   6.778
  403    HE   ARG  55           HE       ARG  55   5.095  -7.288   9.197
  404   HH11  ARG  55          HH11      ARG  55   3.069  -6.319   6.429
  405   HH12  ARG  55          HH12      ARG  55   1.686  -6.042   7.410
  406   HH21  ARG  55          HH21      ARG  55   3.124  -6.906  10.490
  407   HH22  ARG  55          HH22      ARG  55   1.694  -6.464   9.679
  408    H    TYR  56           HN       TYR  56   9.141  -3.189   6.489
  409    HA   TYR  56           HA       TYR  56  11.179  -5.209   5.887
  410    HB2  TYR  56           HB2      TYR  56   9.678  -3.427   3.976
  411    HB3  TYR  56           HB1      TYR  56  11.107  -4.355   3.510
  412    HD1  TYR  56           HD2      TYR  56  11.057  -6.857   4.115
  413    HD2  TYR  56           HD1      TYR  56   7.574  -4.452   3.785
  414    HE1  TYR  56           HE2      TYR  56   9.712  -8.873   3.854
  415    HE2  TYR  56           HE1      TYR  56   6.194  -6.485   3.529
  416    HH   TYR  56           HH       TYR  56   6.550  -8.983   2.806
  417    H    GLY  57           HN       GLY  57  11.057  -2.435   7.378
  418    HA2  GLY  57           HA2      GLY  57  12.689  -0.988   8.038
  419    HA3  GLY  57           HA1      GLY  57  13.843  -2.018   7.202
  420    H    VAL  58           HN       VAL  58  11.108  -0.140   6.038
  421    HA   VAL  58           HA       VAL  58  12.985   1.173   4.213
  422    HB   VAL  58           HB       VAL  58  11.177   1.423   2.536
  423   HG11  VAL  58          HG11      VAL  58  11.649  -1.416   3.408
  424   HG12  VAL  58          HG12      VAL  58  12.693  -0.453   2.363
  425   HG13  VAL  58          HG13      VAL  58  11.079  -0.909   1.818
  426   HG21  VAL  58          HG21      VAL  58   9.255   1.354   4.047
  427   HG22  VAL  58          HG22      VAL  58   9.571  -0.362   4.357
  428   HG23  VAL  58          HG23      VAL  58   9.101   0.175   2.746
  429    H    SER  59           HN       SER  59  11.890   3.279   3.231
  430    HA   SER  59           HA       SER  59  10.542   4.694   5.376
  431    HB2  SER  59           HB2      SER  59  12.858   5.745   3.727
  432    HB3  SER  59           HB1      SER  59  11.962   6.643   4.955
  433    HG   SER  59           HG       SER  59  12.893   4.255   5.847
  434    H    ILE  60           HN       ILE  60   8.667   5.037   4.542
  435    HA   ILE  60           HA       ILE  60   8.438   5.678   1.706
  436    HB   ILE  60           HB       ILE  60   6.411   4.584   3.667
  437   HG12  ILE  60          HG12      ILE  60   7.669   3.321   1.220
  438   HG13  ILE  60          HG11      ILE  60   8.136   2.980   2.881
  439   HG21  ILE  60          HG21      ILE  60   5.319   6.091   2.104
  440   HG22  ILE  60          HG22      ILE  60   4.898   4.422   1.719
  441   HG23  ILE  60          HG23      ILE  60   6.086   5.279   0.745
  442   HD11  ILE  60          HD11      ILE  60   6.703   1.242   1.982
  443   HD12  ILE  60          HD12      ILE  60   5.445   2.433   1.654
  444   HD13  ILE  60          HD13      ILE  60   5.913   2.079   3.317
  445    HA   PRO  61           HA       PRO  61   7.525   9.782   3.213
  446    HB2  PRO  61           HB2      PRO  61   6.771  10.220   0.390
  447    HB3  PRO  61           HB1      PRO  61   7.965  11.064   1.370
  448    HG2  PRO  61           HG2      PRO  61   8.690   9.382  -0.590
  449    HG3  PRO  61           HG1      PRO  61   9.634   9.551   0.901
  450    HD2  PRO  61           HD2      PRO  61   7.725   7.403   0.096
  451    HD3  PRO  61           HD1      PRO  61   9.264   7.276   0.975
  452    H    ASP  62           HN       ASP  62   5.714  10.128   4.174
  453    HA   ASP  62           HA       ASP  62   3.418   8.620   3.888
  454    HB2  ASP  62           HB2      ASP  62   2.418  10.149   5.536
  455    HB3  ASP  62           HB1      ASP  62   4.034   9.639   5.990
  456    H    ASP  63           HN       ASP  63   4.167  11.747   2.515
  457    HA   ASP  63           HA       ASP  63   1.588  12.547   1.744
  458    HB2  ASP  63           HB2      ASP  63   3.516  14.043   1.713
  459    HB3  ASP  63           HB1      ASP  63   4.229  13.118   0.398
  460    H    VAL  64           HN       VAL  64   3.825  10.317   0.250
  461    HA   VAL  64           HA       VAL  64   2.719  10.292  -2.374
  462    HB   VAL  64           HB       VAL  64   4.059   8.020  -0.995
  463   HG11  VAL  64          HG11      VAL  64   4.858   7.508  -3.363
  464   HG12  VAL  64          HG12      VAL  64   3.882   8.875  -3.918
  465   HG13  VAL  64          HG13      VAL  64   3.100   7.474  -3.196
  466   HG21  VAL  64          HG21      VAL  64   5.393  10.020  -0.717
  467   HG22  VAL  64          HG22      VAL  64   5.399  10.289  -2.463
  468   HG23  VAL  64          HG23      VAL  64   6.214   8.876  -1.780
  469    H    ALA  65           HN       ALA  65   2.039   8.558   0.570
  470    HA   ALA  65           HA       ALA  65   0.422   6.574  -0.671
  471    HB1  ALA  65           HB1      ALA  65  -0.175   5.922   1.599
  472    HB2  ALA  65           HB2      ALA  65   0.575   7.393   2.221
  473    HB3  ALA  65           HB3      ALA  65   1.564   6.160   1.442
  474    H    GLY  66           HN       GLY  66  -0.080   9.815   0.198
  475    HA2  GLY  66           HA2      GLY  66  -2.973   9.519   0.210
  476    HA3  GLY  66           HA1      GLY  66  -2.067  11.013   0.453
  477    H    ARG  67           HN       ARG  67  -0.700   9.419  -2.055
  478    HA   ARG  67           HA       ARG  67  -2.274  10.889  -4.049
  479    HB2  ARG  67           HB2      ARG  67   0.678  10.347  -3.908
  480    HB3  ARG  67           HB1      ARG  67  -0.110  10.831  -5.397
  481    HG2  ARG  67           HG2      ARG  67  -0.865  12.896  -4.290
  482    HG3  ARG  67           HG1      ARG  67   0.007  12.402  -2.834
  483    HD2  ARG  67           HD2      ARG  67   1.437  12.479  -5.436
  484    HD3  ARG  67           HD1      ARG  67   1.131  14.006  -4.596
  485    HE   ARG  67           HE       ARG  67   2.437  13.125  -2.765
  486   HH11  ARG  67          HH11      ARG  67   2.704  11.113  -5.702
  487   HH12  ARG  67          HH12      ARG  67   4.360  10.854  -5.549
  488   HH21  ARG  67          HH21      ARG  67   4.788  12.760  -2.570
  489   HH22  ARG  67          HH22      ARG  67   5.560  11.766  -3.729
  490    H    VAL  68           HN       VAL  68  -0.842   7.825  -3.218
  491    HA   VAL  68           HA       VAL  68  -0.864   6.611  -5.744
  492    HB   VAL  68           HB       VAL  68  -0.800   4.424  -4.505
  493   HG11  VAL  68          HG11      VAL  68   1.052   6.549  -3.443
  494   HG12  VAL  68          HG12      VAL  68   1.246   5.672  -4.956
  495   HG13  VAL  68          HG13      VAL  68   1.352   4.812  -3.420
  496   HG21  VAL  68          HG21      VAL  68  -0.638   4.438  -2.053
  497   HG22  VAL  68          HG22      VAL  68  -2.217   5.009  -2.588
  498   HG23  VAL  68          HG23      VAL  68  -1.002   6.164  -2.039
  499    H    ASP  69           HN       ASP  69  -2.521   6.536  -6.991
  500    HA   ASP  69           HA       ASP  69  -5.245   6.365  -6.016
  501    HB2  ASP  69           HB2      ASP  69  -4.224   6.321  -8.858
  502    HB3  ASP  69           HB1      ASP  69  -5.921   6.358  -8.407
  503    H    THR  70           HN       THR  70  -3.080   4.255  -7.752
  504    HA   THR  70           HA       THR  70  -5.009   2.078  -7.364
  505    HB   THR  70           HB       THR  70  -3.667   0.900  -9.168
  506    HG1  THR  70           HG1      THR  70  -2.683   3.527  -9.686
  507   HG21  THR  70          HG21      THR  70  -4.747   2.100 -11.029
  508   HG22  THR  70          HG22      THR  70  -5.070   3.467  -9.956
  509   HG23  THR  70          HG23      THR  70  -5.843   1.908  -9.664
  510    HA   PRO  71           HA       PRO  71  -2.211   0.101  -4.544
  511    HB2  PRO  71           HB2      PRO  71  -3.003  -2.422  -5.913
  512    HB3  PRO  71           HB1      PRO  71  -3.080  -2.006  -4.195
  513    HG2  PRO  71           HG2      PRO  71  -5.298  -2.053  -5.600
  514    HG3  PRO  71           HG1      PRO  71  -5.008  -0.718  -4.466
  515    HD2  PRO  71           HD2      PRO  71  -4.659  -0.771  -7.445
  516    HD3  PRO  71           HD1      PRO  71  -5.447   0.457  -6.432
  517    H    ARG  72           HN       ARG  72  -2.090  -0.600  -7.960
  518    HA   ARG  72           HA       ARG  72   0.415  -1.917  -8.023
  519    HB2  ARG  72           HB2      ARG  72  -1.164  -1.899  -9.927
  520    HB3  ARG  72           HB1      ARG  72  -0.883  -0.178 -10.135
  521    HG2  ARG  72           HG2      ARG  72   1.453  -0.626 -10.694
  522    HG3  ARG  72           HG1      ARG  72   1.174  -2.355 -10.480
  523    HD2  ARG  72           HD2      ARG  72  -0.209  -0.575 -12.482
  524    HD3  ARG  72           HD1      ARG  72   1.082  -1.720 -12.840
  525    HE   ARG  72           HE       ARG  72  -0.476  -3.446 -11.954
  526   HH11  ARG  72          HH11      ARG  72  -1.677  -0.465 -13.505
  527   HH12  ARG  72          HH12      ARG  72  -3.140  -1.140 -14.034
  528   HH21  ARG  72          HH21      ARG  72  -2.519  -4.394 -12.704
  529   HH22  ARG  72          HH22      ARG  72  -3.649  -3.453 -13.562
  530    H    GLU  73           HN       GLU  73  -0.550   1.433  -7.960
  531    HA   GLU  73           HA       GLU  73   2.070   2.480  -8.425
  532    HB2  GLU  73           HB2      GLU  73   0.042   3.674  -9.102
  533    HB3  GLU  73           HB1      GLU  73  -0.474   3.760  -7.432
  534    HG2  GLU  73           HG2      GLU  73   1.300   5.259  -6.898
  535    HG3  GLU  73           HG1      GLU  73   2.018   5.040  -8.494
  536    H    LEU  74           HN       LEU  74   0.057   1.715  -5.678
  537    HA   LEU  74           HA       LEU  74   1.715   2.873  -3.671
  538    HB2  LEU  74           HB2      LEU  74  -0.756   1.895  -3.584
  539    HB3  LEU  74           HB1      LEU  74   0.055   0.398  -3.198
  540    HG   LEU  74           HG       LEU  74   0.150   2.943  -1.563
  541   HD11  LEU  74          HD11      LEU  74  -2.008   1.885  -1.468
  542   HD12  LEU  74          HD12      LEU  74  -1.165   1.697   0.069
  543   HD13  LEU  74          HD13      LEU  74  -1.262   0.342  -1.059
  544   HD21  LEU  74          HD21      LEU  74   1.246   1.608   0.166
  545   HD22  LEU  74          HD22      LEU  74   2.221   1.662  -1.304
  546   HD23  LEU  74          HD23      LEU  74   1.280   0.219  -0.921
  547    H    LEU  75           HN       LEU  75   1.483  -0.312  -5.175
  548    HA   LEU  75           HA       LEU  75   3.509  -1.717  -3.890
  549    HB2  LEU  75           HB2      LEU  75   1.862  -2.649  -5.499
  550    HB3  LEU  75           HB1      LEU  75   2.672  -1.807  -6.798
  551    HG   LEU  75           HG       LEU  75   4.698  -3.212  -6.329
  552   HD11  LEU  75          HD11      LEU  75   4.193  -3.831  -4.038
  553   HD12  LEU  75          HD12      LEU  75   4.385  -5.264  -5.047
  554   HD13  LEU  75          HD13      LEU  75   2.772  -4.725  -4.580
  555   HD21  LEU  75          HD21      LEU  75   3.791  -5.200  -7.429
  556   HD22  LEU  75          HD22      LEU  75   3.178  -3.718  -8.159
  557   HD23  LEU  75          HD23      LEU  75   2.154  -4.654  -7.068
  558    H    ASP  76           HN       ASP  76   3.619   0.197  -6.873
  559    HA   ASP  76           HA       ASP  76   6.285   0.177  -7.544
  560    HB2  ASP  76           HB2      ASP  76   4.664   1.203  -8.982
  561    HB3  ASP  76           HB1      ASP  76   4.255   2.399  -7.759
  562    H    LEU  77           HN       LEU  77   4.689   2.363  -5.306
  563    HA   LEU  77           HA       LEU  77   6.845   3.977  -4.596
  564    HB2  LEU  77           HB2      LEU  77   4.698   4.671  -3.967
  565    HB3  LEU  77           HB1      LEU  77   4.328   3.148  -3.197
  566    HG   LEU  77           HG       LEU  77   5.853   3.709  -1.356
  567   HD11  LEU  77          HD11      LEU  77   6.179   6.390  -2.719
  568   HD12  LEU  77          HD12      LEU  77   7.426   5.154  -2.519
  569   HD13  LEU  77          HD13      LEU  77   6.758   5.954  -1.107
  570   HD21  LEU  77          HD21      LEU  77   4.456   5.445  -0.368
  571   HD22  LEU  77          HD22      LEU  77   3.495   4.217  -1.192
  572   HD23  LEU  77          HD23      LEU  77   3.761   5.790  -1.951
  573    H    ILE  78           HN       ILE  78   5.675   1.003  -3.064
  574    HA   ILE  78           HA       ILE  78   7.770   1.077  -1.134
  575    HB   ILE  78           HB       ILE  78   5.983  -1.295  -1.781
  576   HG12  ILE  78          HG12      ILE  78   5.600   0.959   0.204
  577   HG13  ILE  78          HG11      ILE  78   4.698   0.755  -1.293
  578   HG21  ILE  78          HG21      ILE  78   6.485  -1.956   0.546
  579   HG22  ILE  78          HG22      ILE  78   7.534  -0.547   0.724
  580   HG23  ILE  78          HG23      ILE  78   7.968  -1.832  -0.403
  581   HD11  ILE  78          HD11      ILE  78   4.682  -1.101   1.060
  582   HD12  ILE  78          HD12      ILE  78   3.775  -1.324  -0.439
  583   HD13  ILE  78          HD13      ILE  78   3.413   0.043   0.623
  584    H    ASN  79           HN       ASN  79   7.391  -0.333  -4.256
  585    HA   ASN  79           HA       ASN  79   9.616  -2.068  -4.274
  586    HB2  ASN  79           HB2      ASN  79   8.422  -0.416  -6.520
  587    HB3  ASN  79           HB1      ASN  79   9.745  -1.537  -6.772
  588   HD21  ASN  79          HD21      ASN  79   8.664  -3.548  -4.935
  589   HD22  ASN  79          HD22      ASN  79   7.333  -4.242  -5.803
  590    H    GLY  80           HN       GLY  80   9.324   1.378  -4.890
  591    HA2  GLY  80           HA2      GLY  80  12.070   1.839  -5.482
  592    HA3  GLY  80           HA1      GLY  80  10.898   3.059  -5.000
  593    H    ALA  81           HN       ALA  81  10.134   2.111  -2.568
  594    HA   ALA  81           HA       ALA  81  12.124   3.059  -0.845
  595    HB1  ALA  81           HB1      ALA  81   9.744   1.337  -0.151
  596    HB2  ALA  81           HB2      ALA  81   9.734   3.094  -0.293
  597    HB3  ALA  81           HB3      ALA  81  10.678   2.318   0.978
  598    H    LEU  82           HN       LEU  82  11.222  -0.255  -1.687
  599    HA   LEU  82           HA       LEU  82  12.972  -1.554   0.097
  600    HB2  LEU  82           HB2      LEU  82  11.801  -2.451  -2.520
  601    HB3  LEU  82           HB1      LEU  82  12.763  -3.494  -1.494
  602    HG   LEU  82           HG       LEU  82  10.189  -2.187  -0.619
  603   HD11  LEU  82          HD11      LEU  82   9.804  -3.769  -2.422
  604   HD12  LEU  82          HD12      LEU  82   9.215  -4.391  -0.878
  605   HD13  LEU  82          HD13      LEU  82  10.730  -4.991  -1.554
  606   HD21  LEU  82          HD21      LEU  82  11.847  -4.388   0.576
  607   HD22  LEU  82          HD22      LEU  82  10.311  -3.777   1.201
  608   HD23  LEU  82          HD23      LEU  82  11.739  -2.732   1.176
  609    H    ALA  83           HN       ALA  83  13.409  -0.433  -3.203
  610    HA   ALA  83           HA       ALA  83  15.995  -1.488  -3.584
  611    HB1  ALA  83           HB1      ALA  83  14.620  -0.635  -5.432
  612    HB2  ALA  83           HB2      ALA  83  16.195   0.157  -5.393
  613    HB3  ALA  83           HB3      ALA  83  14.768   0.999  -4.787
  614    H    GLU  84           HN       GLU  84  14.803   1.450  -2.175
  615    HA   GLU  84           HA       GLU  84  17.250   2.806  -1.741
  616    HB2  GLU  84           HB2      GLU  84  14.970   3.812  -1.695
  617    HB3  GLU  84           HB1      GLU  84  14.659   2.969  -0.190
  618    HG2  GLU  84           HG2      GLU  84  15.186   5.192   0.363
  619    HG3  GLU  84           HG1      GLU  84  16.600   4.223   0.783
  620    H    ALA  85           HN       ALA  85  15.359   0.494   0.115
  621    HA   ALA  85           HA       ALA  85  16.947   0.769   2.490
  622    HB1  ALA  85           HB1      ALA  85  14.543   0.381   2.642
  623    HB2  ALA  85           HB2      ALA  85  15.462  -0.895   3.443
  624    HB3  ALA  85           HB3      ALA  85  14.745  -1.182   1.858
  625    H    ALA  86           HN       ALA  86  18.947   0.086   2.113
  626    HA   ALA  86           HA       ALA  86  19.245  -2.747   1.447
  627    HB1  ALA  86           HB1      ALA  86  21.242  -0.493   1.139
  628    HB2  ALA  86           HB2      ALA  86  20.360  -1.279  -0.171
  629    HB3  ALA  86           HB3      ALA  86  21.546  -2.189   0.765
  630    H28  SXV  87          H28A      SXV  87  -5.690  13.195   3.326
  631   H28A  SXV  87          H28B      SXV  87  -4.925  11.615   3.310
  632    H30  SXV  87          H30C      SXV  87  -4.168  13.670   5.205
  633   H30A  SXV  87          H30A      SXV  87  -2.418  13.589   4.989
  634   H30B  SXV  87          H30B      SXV  87  -3.377  12.109   4.986
  635    H31  SXV  87          H31C      SXV  87  -1.469  12.977   2.719
  636   H31A  SXV  87          H31A      SXV  87  -2.582  12.517   1.430
  637   H31B  SXV  87          H31B      SXV  87  -2.397  11.483   2.849
  638    H32  SXV  87          H32A      SXV  87  -4.393  15.314   3.072
  639   HO33  SXV  87          H33A      SXV  87  -2.606  15.278   1.174
  640   HN36  SXV  87          H36A      SXV  87  -2.868  15.676   5.048
  641    H37  SXV  87          H37B      SXV  87  -1.235  17.645   5.132
  642   H37A  SXV  87          H37A      SXV  87  -0.162  16.517   4.294
  643    H38  SXV  87          H38B      SXV  87   0.432  16.473   6.570
  644   H38A  SXV  87          H38A      SXV  87  -0.332  14.951   6.203
  645   HN41  SXV  87          H41A      SXV  87  -0.405  14.942   8.564
  646    H42  SXV  87          H42B      SXV  87  -2.860  15.039   9.652
  647   H42A  SXV  87          H42A      SXV  87  -2.181  16.592  10.097
  648    H43  SXV  87          H43B      SXV  87  -0.798  13.957  10.490
  649   H43A  SXV  87          H43A      SXV  87  -0.369  15.455  11.275
  650    H1   SXV  87           H1B      SXV  87  -4.136  12.907  12.191
  651    H1A  SXV  87           H1A      SXV  87  -3.944  13.827  10.689
  652    H2   SXV  87           H2A      SXV  87  -2.215  11.500  11.446
  653    H2A  SXV  87           H2B      SXV  87  -2.093  12.491  10.001
  654    H4   SXV  87           H4C      SXV  87  -2.745   9.346   9.992
  655    H4A  SXV  87           H4A      SXV  87  -4.485   9.226   9.704
  656    H4B  SXV  87           H4B      SXV  87  -3.878   9.536  11.337
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  21.108  -5.287  -3.339
    2    H2   MET   1           HT2      MET   1  20.252  -6.380  -4.239
    3    H3   MET   1           HT3      MET   1  21.822  -6.785  -3.710
    4    HA   MET   1           HA       MET   1  20.159  -7.898  -2.378
    5    HB2  MET   1           HB2      MET   1  21.602  -5.621  -0.999
    6    HB3  MET   1           HB1      MET   1  20.716  -6.853  -0.124
    7    HG2  MET   1           HG2      MET   1  23.095  -7.311  -0.120
    8    HG3  MET   1           HG1      MET   1  22.215  -8.565  -0.982
    9    HE1  MET   1           HE1      MET   1  24.558  -9.429  -1.917
   10    HE2  MET   1           HE2      MET   1  25.384  -8.126  -1.065
   11    HE3  MET   1           HE3      MET   1  25.709  -8.405  -2.776
   12    H    ALA   2           HN       ALA   2  18.047  -7.875  -2.189
   13    HA   ALA   2           HA       ALA   2  16.709  -5.466  -1.284
   14    HB1  ALA   2           HB1      ALA   2  16.034  -6.808  -3.906
   15    HB2  ALA   2           HB2      ALA   2  16.777  -5.220  -3.723
   16    HB3  ALA   2           HB3      ALA   2  15.130  -5.492  -3.156
   17    H    THR   3           HN       THR   3  14.213  -6.117  -1.451
   18    HA   THR   3           HA       THR   3  13.645  -8.874  -1.087
   19    HB   THR   3           HB       THR   3  14.375  -8.369   1.183
   20    HG1  THR   3           HG1      THR   3  11.539  -8.440   1.056
   21   HG21  THR   3          HG21      THR   3  13.347  -6.607   2.598
   22   HG22  THR   3          HG22      THR   3  12.448  -6.027   1.196
   23   HG23  THR   3          HG23      THR   3  14.207  -5.925   1.216
   24    H    LEU   4           HN       LEU   4  11.952  -8.953  -2.480
   25    HA   LEU   4           HA       LEU   4  10.409  -6.492  -2.728
   26    HB2  LEU   4           HB2      LEU   4  10.787  -8.713  -4.715
   27    HB3  LEU   4           HB1      LEU   4   9.726  -7.340  -4.952
   28    HG   LEU   4           HG       LEU   4  12.731  -7.224  -4.660
   29   HD11  LEU   4          HD11      LEU   4  10.944  -6.786  -7.039
   30   HD12  LEU   4          HD12      LEU   4  12.026  -8.156  -6.783
   31   HD13  LEU   4          HD13      LEU   4  12.688  -6.537  -6.999
   32   HD21  LEU   4          HD21      LEU   4  10.736  -5.023  -5.207
   33   HD22  LEU   4          HD22      LEU   4  12.490  -4.853  -5.228
   34   HD23  LEU   4          HD23      LEU   4  11.659  -5.239  -3.721
   35    H    LEU   5           HN       LEU   5   8.488  -6.399  -2.012
   36    HA   LEU   5           HA       LEU   5   7.108  -8.811  -1.371
   37    HB2  LEU   5           HB2      LEU   5   5.360  -7.345  -0.383
   38    HB3  LEU   5           HB1      LEU   5   6.942  -7.090   0.296
   39    HG   LEU   5           HG       LEU   5   7.064  -4.990  -1.177
   40   HD11  LEU   5          HD11      LEU   5   4.949  -3.995  -1.836
   41   HD12  LEU   5          HD12      LEU   5   4.100  -5.468  -1.368
   42   HD13  LEU   5          HD13      LEU   5   5.246  -5.498  -2.708
   43   HD21  LEU   5          HD21      LEU   5   5.768  -3.678   0.412
   44   HD22  LEU   5          HD22      LEU   5   6.729  -4.921   1.215
   45   HD23  LEU   5          HD23      LEU   5   4.995  -5.153   0.995
   46    H    THR   6           HN       THR   6   5.356  -9.600  -2.330
   47    HA   THR   6           HA       THR   6   4.850  -8.487  -4.948
   48    HB   THR   6           HB       THR   6   3.970 -10.830  -5.494
   49    HG1  THR   6           HG1      THR   6   4.804 -11.238  -2.862
   50   HG21  THR   6          HG21      THR   6   6.231 -11.725  -5.894
   51   HG22  THR   6          HG22      THR   6   6.896 -10.508  -4.804
   52   HG23  THR   6          HG23      THR   6   6.122 -10.014  -6.310
   53    H    THR   7           HN       THR   7   2.445  -9.814  -5.554
   54    HA   THR   7           HA       THR   7   0.606  -7.964  -4.804
   55    HB   THR   7           HB       THR   7  -1.021  -9.873  -5.498
   56    HG1  THR   7           HG1      THR   7  -0.049 -11.730  -5.851
   57   HG21  THR   7          HG21      THR   7  -0.441  -9.470  -7.846
   58   HG22  THR   7          HG22      THR   7   1.139  -8.861  -7.356
   59   HG23  THR   7          HG23      THR   7  -0.320  -7.974  -6.914
   60    H    ASP   8           HN       ASP   8   0.865 -11.286  -3.361
   61    HA   ASP   8           HA       ASP   8  -1.256 -10.690  -1.546
   62    HB2  ASP   8           HB2      ASP   8  -0.900 -13.015  -2.137
   63    HB3  ASP   8           HB1      ASP   8   0.727 -12.974  -1.461
   64    H    ASP   9           HN       ASP   9   2.163 -10.309  -1.393
   65    HA   ASP   9           HA       ASP   9   2.413  -9.994   1.419
   66    HB2  ASP   9           HB2      ASP   9   4.009  -8.600  -0.747
   67    HB3  ASP   9           HB1      ASP   9   4.430  -8.625   0.954
   68    H    LEU  10           HN       LEU  10   1.677  -7.740  -1.178
   69    HA   LEU  10           HA       LEU  10   1.289  -5.487   0.536
   70    HB2  LEU  10           HB2      LEU  10   1.828  -5.252  -1.862
   71    HB3  LEU  10           HB1      LEU  10   0.290  -5.981  -2.273
   72    HG   LEU  10           HG       LEU  10  -0.866  -4.063  -1.206
   73   HD11  LEU  10          HD11      LEU  10   1.909  -2.916  -0.977
   74   HD12  LEU  10          HD12      LEU  10   0.855  -3.386   0.358
   75   HD13  LEU  10          HD13      LEU  10   0.405  -2.041  -0.688
   76   HD21  LEU  10          HD21      LEU  10  -0.372  -2.453  -2.980
   77   HD22  LEU  10          HD22      LEU  10  -0.489  -4.098  -3.605
   78   HD23  LEU  10          HD23      LEU  10   1.092  -3.350  -3.382
   79    H    ARG  11           HN       ARG  11  -0.770  -7.909  -0.904
   80    HA   ARG  11           HA       ARG  11  -3.316  -7.051  -0.251
   81    HB2  ARG  11           HB2      ARG  11  -2.877  -8.971  -1.654
   82    HB3  ARG  11           HB1      ARG  11  -2.154  -9.830  -0.311
   83    HG2  ARG  11           HG2      ARG  11  -4.364  -9.923   0.772
   84    HG3  ARG  11           HG1      ARG  11  -5.060  -9.127  -0.651
   85    HD2  ARG  11           HD2      ARG  11  -4.267 -10.932  -2.070
   86    HD3  ARG  11           HD1      ARG  11  -3.526 -11.721  -0.682
   87    HE   ARG  11           HE       ARG  11  -6.414 -11.271  -0.776
   88   HH11  ARG  11          HH11      ARG  11  -3.654 -13.466  -0.388
   89   HH12  ARG  11          HH12      ARG  11  -4.592 -14.874  -0.290
   90   HH21  ARG  11          HH21      ARG  11  -7.733 -13.240  -0.622
   91   HH22  ARG  11          HH22      ARG  11  -6.983 -14.737  -0.353
   92    H    ARG  12           HN       ARG  12  -1.106  -9.016   1.732
   93    HA   ARG  12           HA       ARG  12  -2.780  -9.214   4.023
   94    HB2  ARG  12           HB2      ARG  12   0.243  -9.153   4.009
   95    HB3  ARG  12           HB1      ARG  12  -0.783  -9.806   5.266
   96    HG2  ARG  12           HG2      ARG  12  -1.476 -11.602   3.758
   97    HG3  ARG  12           HG1      ARG  12  -0.433 -10.928   2.494
   98    HD2  ARG  12           HD2      ARG  12   1.462 -11.099   4.134
   99    HD3  ARG  12           HD1      ARG  12   0.383 -12.026   5.168
  100    HE   ARG  12           HE       ARG  12   0.512 -13.134   2.562
  101   HH11  ARG  12          HH11      ARG  12   2.246 -12.905   5.626
  102   HH12  ARG  12          HH12      ARG  12   3.317 -14.190   5.355
  103   HH21  ARG  12          HH21      ARG  12   1.997 -14.993   2.141
  104   HH22  ARG  12          HH22      ARG  12   3.115 -15.459   3.344
  105    H    ALA  13           HN       ALA  13  -0.223  -7.028   3.073
  106    HA   ALA  13           HA       ALA  13   0.068  -5.518   5.388
  107    HB1  ALA  13           HB1      ALA  13   1.684  -5.607   3.569
  108    HB2  ALA  13           HB2      ALA  13   1.243  -3.946   3.973
  109    HB3  ALA  13           HB3      ALA  13   0.567  -4.715   2.538
  110    H    LEU  14           HN       LEU  14  -2.032  -5.030   2.605
  111    HA   LEU  14           HA       LEU  14  -2.918  -2.453   3.315
  112    HB2  LEU  14           HB2      LEU  14  -3.121  -3.573   1.069
  113    HB3  LEU  14           HB1      LEU  14  -4.431  -4.528   1.729
  114    HG   LEU  14           HG       LEU  14  -5.716  -2.451   2.123
  115   HD11  LEU  14          HD11      LEU  14  -4.959  -0.369   1.083
  116   HD12  LEU  14          HD12      LEU  14  -3.435  -1.142   0.648
  117   HD13  LEU  14          HD13      LEU  14  -3.850  -0.903   2.346
  118   HD21  LEU  14          HD21      LEU  14  -4.751  -2.850  -0.706
  119   HD22  LEU  14          HD22      LEU  14  -6.234  -2.025  -0.230
  120   HD23  LEU  14          HD23      LEU  14  -6.044  -3.751   0.083
  121    H    VAL  15           HN       VAL  15  -4.002  -5.676   4.152
  122    HA   VAL  15           HA       VAL  15  -6.450  -4.925   5.355
  123    HB   VAL  15           HB       VAL  15  -4.827  -7.459   5.842
  124   HG11  VAL  15          HG11      VAL  15  -6.484  -7.121   7.600
  125   HG12  VAL  15          HG12      VAL  15  -6.938  -8.474   6.566
  126   HG13  VAL  15          HG13      VAL  15  -7.747  -6.916   6.388
  127   HG21  VAL  15          HG21      VAL  15  -7.093  -6.943   3.928
  128   HG22  VAL  15          HG22      VAL  15  -6.326  -8.504   4.214
  129   HG23  VAL  15          HG23      VAL  15  -5.401  -7.182   3.498
  130    H    GLU  16           HN       GLU  16  -3.246  -4.595   6.411
  131    HA   GLU  16           HA       GLU  16  -3.618  -4.780   9.186
  132    HB2  GLU  16           HB2      GLU  16  -1.581  -3.171   7.643
  133    HB3  GLU  16           HB1      GLU  16  -1.536  -3.487   9.373
  134    HG2  GLU  16           HG2      GLU  16  -1.452  -5.583   7.218
  135    HG3  GLU  16           HG1      GLU  16  -0.088  -4.963   8.146
  136    H    SER  17           HN       SER  17  -4.278  -2.315   6.863
  137    HA   SER  17           HA       SER  17  -4.916  -0.414   8.950
  138    HB2  SER  17           HB2      SER  17  -4.875  -0.110   5.960
  139    HB3  SER  17           HB1      SER  17  -5.197   1.184   7.123
  140    HG   SER  17           HG       SER  17  -3.170   0.592   8.092
  141    H    ALA  18           HN       ALA  18  -6.461  -2.896   7.484
  142    HA   ALA  18           HA       ALA  18  -9.045  -1.636   7.186
  143    HB1  ALA  18           HB1      ALA  18  -9.886  -3.928   6.839
  144    HB2  ALA  18           HB2      ALA  18  -8.318  -4.578   7.295
  145    HB3  ALA  18           HB3      ALA  18  -8.477  -3.620   5.822
  146    H    GLY  19           HN       GLY  19  -7.153  -3.161   9.595
  147    HA2  GLY  19           HA2      GLY  19  -7.568  -2.773  11.929
  148    HA3  GLY  19           HA1      GLY  19  -9.299  -2.743  11.553
  149    H    GLU  20           HN       GLU  20  -9.967  -4.742  10.363
  150    HA   GLU  20           HA       GLU  20  -8.760  -7.149  11.450
  151    HB2  GLU  20           HB2      GLU  20 -11.661  -6.313  11.590
  152    HB3  GLU  20           HB1      GLU  20 -11.121  -7.969  11.812
  153    HG2  GLU  20           HG2      GLU  20  -9.948  -7.398  13.789
  154    HG3  GLU  20           HG1      GLU  20 -10.187  -5.674  13.500
  155    H    THR  21           HN       THR  21  -9.750  -8.979  10.255
  156    HA   THR  21           HA       THR  21  -9.993  -8.249   7.451
  157    HB   THR  21           HB       THR  21  -9.811 -11.039   8.630
  158    HG1  THR  21           HG1      THR  21  -7.963  -9.587   9.179
  159   HG21  THR  21          HG21      THR  21  -9.115  -9.918   5.905
  160   HG22  THR  21          HG22      THR  21 -10.544 -10.880   6.286
  161   HG23  THR  21          HG23      THR  21  -8.941 -11.602   6.395
  162    H    ASP  22           HN       ASP  22 -12.005  -7.314   8.304
  163    HA   ASP  22           HA       ASP  22 -14.237  -8.880   9.128
  164    HB2  ASP  22           HB2      ASP  22 -13.985  -6.468   9.616
  165    HB3  ASP  22           HB1      ASP  22 -14.135  -6.118   7.901
  166    H    GLY  23           HN       GLY  23 -13.340  -7.318   6.121
  167    HA2  GLY  23           HA2      GLY  23 -14.286  -9.428   4.502
  168    HA3  GLY  23           HA1      GLY  23 -15.404  -8.055   4.471
  169    H    THR  24           HN       THR  24 -11.944  -8.650   4.402
  170    HA   THR  24           HA       THR  24 -11.696  -6.432   2.505
  171    HB   THR  24           HB       THR  24  -9.594  -7.328   4.493
  172    HG1  THR  24           HG1      THR  24 -11.636  -5.333   4.675
  173   HG21  THR  24          HG21      THR  24 -10.007  -4.745   2.955
  174   HG22  THR  24          HG22      THR  24  -8.814  -5.982   2.560
  175   HG23  THR  24          HG23      THR  24  -8.679  -5.078   4.068
  176    H    ASP  25           HN       ASP  25 -12.045  -8.065   0.884
  177    HA   ASP  25           HA       ASP  25  -9.897  -9.988   0.562
  178    HB2  ASP  25           HB2      ASP  25 -12.681  -9.855  -0.489
  179    HB3  ASP  25           HB1      ASP  25 -11.461 -10.720  -1.413
  180    H    LEU  26           HN       LEU  26  -8.279  -9.281  -0.432
  181    HA   LEU  26           HA       LEU  26  -8.612  -7.629  -2.836
  182    HB2  LEU  26           HB2      LEU  26  -6.124  -8.286  -1.219
  183    HB3  LEU  26           HB1      LEU  26  -6.130  -7.310  -2.665
  184    HG   LEU  26           HG       LEU  26  -5.925  -5.788  -0.945
  185   HD11  LEU  26          HD11      LEU  26  -7.554  -5.040  -2.503
  186   HD12  LEU  26          HD12      LEU  26  -7.963  -4.468  -0.886
  187   HD13  LEU  26          HD13      LEU  26  -8.845  -5.823  -1.591
  188   HD21  LEU  26          HD21      LEU  26  -7.310  -5.713   1.089
  189   HD22  LEU  26          HD22      LEU  26  -6.394  -7.216   0.956
  190   HD23  LEU  26          HD23      LEU  26  -8.116  -7.196   0.577
  191    H    SER  27           HN       SER  27  -9.066 -10.488  -2.235
  192    HA   SER  27           HA       SER  27  -7.255 -12.224  -3.428
  193    HB2  SER  27           HB2      SER  27 -10.254 -12.494  -3.236
  194    HB3  SER  27           HB1      SER  27  -9.041 -13.780  -3.183
  195    HG   SER  27           HG       SER  27 -10.052 -12.711  -1.083
  196    H    GLY  28           HN       GLY  28  -6.759 -12.379  -5.536
  197    HA2  GLY  28           HA2      GLY  28  -7.456 -12.815  -7.805
  198    HA3  GLY  28           HA1      GLY  28  -8.786 -11.679  -7.561
  199    H    ASP  29           HN       ASP  29  -8.498  -9.638  -8.193
  200    HA   ASP  29           HA       ASP  29  -5.759  -8.645  -8.260
  201    HB2  ASP  29           HB2      ASP  29  -6.306  -9.057 -10.602
  202    HB3  ASP  29           HB1      ASP  29  -7.795  -8.119 -10.436
  203    H    PHE  30           HN       PHE  30  -5.508  -6.901  -7.247
  204    HA   PHE  30           HA       PHE  30  -7.823  -5.167  -6.814
  205    HB2  PHE  30           HB2      PHE  30  -7.040  -4.689  -4.559
  206    HB3  PHE  30           HB1      PHE  30  -7.296  -6.415  -4.747
  207    HD1  PHE  30           HD2      PHE  30  -5.217  -7.886  -5.135
  208    HD2  PHE  30           HD1      PHE  30  -5.004  -3.851  -3.792
  209    HE1  PHE  30           HE2      PHE  30  -2.952  -8.295  -4.272
  210    HE2  PHE  30           HE1      PHE  30  -2.742  -4.258  -2.927
  211    HZ   PHE  30           HZ       PHE  30  -1.711  -6.482  -3.166
  212    H    LEU  31           HN       LEU  31  -5.104  -5.417  -8.499
  213    HA   LEU  31           HA       LEU  31  -3.771  -3.058  -7.561
  214    HB2  LEU  31           HB2      LEU  31  -3.166  -4.907  -9.861
  215    HB3  LEU  31           HB1      LEU  31  -2.202  -3.507  -9.456
  216    HG   LEU  31           HG       LEU  31  -1.071  -5.404  -8.665
  217   HD11  LEU  31          HD11      LEU  31  -2.373  -4.065  -6.324
  218   HD12  LEU  31          HD12      LEU  31  -0.913  -3.552  -7.173
  219   HD13  LEU  31          HD13      LEU  31  -0.918  -5.057  -6.254
  220   HD21  LEU  31          HD21      LEU  31  -2.828  -7.054  -8.609
  221   HD22  LEU  31          HD22      LEU  31  -3.583  -6.247  -7.236
  222   HD23  LEU  31          HD23      LEU  31  -2.011  -7.021  -7.043
  223    H    ASP  32           HN       ASP  32  -5.999  -3.896 -10.112
  224    HA   ASP  32           HA       ASP  32  -5.471  -1.457 -11.591
  225    HB2  ASP  32           HB2      ASP  32  -6.106  -3.502 -12.792
  226    HB3  ASP  32           HB1      ASP  32  -7.655  -3.517 -11.966
  227    H    LEU  33           HN       LEU  33  -7.657  -2.471  -9.125
  228    HA   LEU  33           HA       LEU  33  -9.674  -0.575  -9.772
  229    HB2  LEU  33           HB2      LEU  33 -10.755  -1.252  -7.622
  230    HB3  LEU  33           HB1      LEU  33 -10.486  -2.541  -8.767
  231    HG   LEU  33           HG       LEU  33  -8.470  -3.203  -7.364
  232   HD11  LEU  33          HD11      LEU  33  -8.430  -2.500  -5.034
  233   HD12  LEU  33          HD12      LEU  33  -9.724  -1.345  -5.354
  234   HD13  LEU  33          HD13      LEU  33  -8.150  -1.142  -6.124
  235   HD21  LEU  33          HD21      LEU  33 -11.199  -3.324  -6.103
  236   HD22  LEU  33          HD22      LEU  33  -9.834  -4.375  -5.714
  237   HD23  LEU  33          HD23      LEU  33 -10.560  -4.428  -7.320
  238    H    ARG  34           HN       ARG  34 -10.575   0.913  -7.993
  239    HA   ARG  34           HA       ARG  34  -8.388   2.717  -7.360
  240    HB2  ARG  34           HB2      ARG  34 -11.389   3.094  -7.261
  241    HB3  ARG  34           HB1      ARG  34 -10.196   4.340  -6.930
  242    HG2  ARG  34           HG2      ARG  34 -10.583   2.925  -9.551
  243    HG3  ARG  34           HG1      ARG  34 -11.133   4.558  -9.159
  244    HD2  ARG  34           HD2      ARG  34  -8.865   5.269  -8.811
  245    HD3  ARG  34           HD1      ARG  34  -8.262   3.643  -9.095
  246    HE   ARG  34           HE       ARG  34  -9.807   4.601 -11.266
  247   HH11  ARG  34          HH11      ARG  34  -6.667   4.881  -9.717
  248   HH12  ARG  34          HH12      ARG  34  -5.782   5.289 -11.093
  249   HH21  ARG  34          HH21      ARG  34  -8.638   5.146 -13.270
  250   HH22  ARG  34          HH22      ARG  34  -6.967   5.427 -13.219
  251    H    PHE  35           HN       PHE  35  -8.330   3.674  -5.287
  252    HA   PHE  35           HA       PHE  35  -8.732   1.815  -3.190
  253    HB2  PHE  35           HB2      PHE  35  -8.015   4.746  -3.119
  254    HB3  PHE  35           HB1      PHE  35  -8.105   3.740  -1.674
  255    HD1  PHE  35           HD2      PHE  35  -6.576   1.683  -1.512
  256    HD2  PHE  35           HD1      PHE  35  -6.146   4.734  -4.470
  257    HE1  PHE  35           HE2      PHE  35  -4.306   0.977  -1.918
  258    HE2  PHE  35           HE1      PHE  35  -3.839   4.003  -4.870
  259    HZ   PHE  35           HZ       PHE  35  -2.945   2.011  -3.545
  260    H    GLU  36           HN       GLU  36 -10.538   4.501  -4.372
  261    HA   GLU  36           HA       GLU  36 -12.545   4.763  -2.512
  262    HB2  GLU  36           HB2      GLU  36 -12.252   6.190  -4.483
  263    HB3  GLU  36           HB1      GLU  36 -12.728   4.860  -5.524
  264    HG2  GLU  36           HG2      GLU  36 -14.946   4.871  -4.515
  265    HG3  GLU  36           HG1      GLU  36 -14.461   6.216  -3.484
  266    H    ASP  37           HN       ASP  37 -12.122   2.294  -5.030
  267    HA   ASP  37           HA       ASP  37 -14.650   1.059  -4.923
  268    HB2  ASP  37           HB2      ASP  37 -11.948  -0.008  -5.727
  269    HB3  ASP  37           HB1      ASP  37 -13.372  -1.031  -5.709
  270    H    ILE  38           HN       ILE  38 -11.833   0.723  -2.941
  271    HA   ILE  38           HA       ILE  38 -13.204  -1.414  -1.502
  272    HB   ILE  38           HB       ILE  38 -10.957  -2.004  -0.541
  273   HG12  ILE  38          HG12      ILE  38  -9.977  -0.119  -2.714
  274   HG13  ILE  38          HG11      ILE  38  -9.825   0.145  -0.982
  275   HG21  ILE  38          HG21      ILE  38 -11.317  -2.147  -3.518
  276   HG22  ILE  38          HG22      ILE  38 -11.986  -3.265  -2.332
  277   HG23  ILE  38          HG23      ILE  38 -10.233  -3.185  -2.584
  278   HD11  ILE  38          HD11      ILE  38  -8.349  -1.799  -0.823
  279   HD12  ILE  38          HD12      ILE  38  -7.727  -0.598  -1.953
  280   HD13  ILE  38          HD13      ILE  38  -8.507  -2.059  -2.559
  281    H    GLY  39           HN       GLY  39 -13.351   1.546  -1.278
  282    HA2  GLY  39           HA2      GLY  39 -13.835   3.057   0.409
  283    HA3  GLY  39           HA1      GLY  39 -13.967   1.665   1.470
  284    H    TYR  40           HN       TYR  40 -11.088   2.758  -0.253
  285    HA   TYR  40           HA       TYR  40  -9.843   3.192   2.346
  286    HB2  TYR  40           HB2      TYR  40  -8.765   2.103  -0.194
  287    HB3  TYR  40           HB1      TYR  40  -7.687   3.067   0.806
  288    HD1  TYR  40           HD2      TYR  40  -9.983   0.163   0.935
  289    HD2  TYR  40           HD1      TYR  40  -6.581   2.070   2.607
  290    HE1  TYR  40           HE2      TYR  40  -9.605  -1.794   2.314
  291    HE2  TYR  40           HE1      TYR  40  -6.162   0.110   4.020
  292    HH   TYR  40           HH       TYR  40  -7.872  -2.857   3.621
  293    H    ASP  41           HN       ASP  41  -9.215   5.000   2.913
  294    HA   ASP  41           HA       ASP  41  -9.175   7.262   1.044
  295    HB2  ASP  41           HB2      ASP  41  -9.216   7.175   4.078
  296    HB3  ASP  41           HB1      ASP  41  -9.196   8.640   3.109
  297    H    SER  42           HN       SER  42  -7.416   8.804   1.397
  298    HA   SER  42           HA       SER  42  -4.836   7.747   1.296
  299    HB2  SER  42           HB2      SER  42  -4.264  10.187   1.783
  300    HB3  SER  42           HB1      SER  42  -5.284   9.875   0.367
  301    H    LEU  43           HN       LEU  43  -6.667   9.199   3.821
  302    HA   LEU  43           HA       LEU  43  -4.896   9.333   5.935
  303    HB2  LEU  43           HB2      LEU  43  -7.836   8.702   6.063
  304    HB3  LEU  43           HB1      LEU  43  -6.862   9.334   7.377
  305    HG   LEU  43           HG       LEU  43  -7.467  10.768   4.790
  306   HD11  LEU  43          HD11      LEU  43  -9.404  10.631   6.243
  307   HD12  LEU  43          HD12      LEU  43  -8.768  12.275   6.145
  308   HD13  LEU  43          HD13      LEU  43  -8.455  11.297   7.581
  309   HD21  LEU  43          HD21      LEU  43  -6.393  12.691   5.840
  310   HD22  LEU  43          HD22      LEU  43  -5.267  11.346   5.642
  311   HD23  LEU  43          HD23      LEU  43  -5.961  11.692   7.228
  312    H    ALA  44           HN       ALA  44  -6.638   6.529   4.731
  313    HA   ALA  44           HA       ALA  44  -5.808   4.872   6.954
  314    HB1  ALA  44           HB1      ALA  44  -7.990   4.478   5.898
  315    HB2  ALA  44           HB2      ALA  44  -6.944   3.063   5.752
  316    HB3  ALA  44           HB3      ALA  44  -7.183   4.130   4.368
  317    H    LEU  45           HN       LEU  45  -5.009   5.423   3.586
  318    HA   LEU  45           HA       LEU  45  -3.250   3.297   3.199
  319    HB2  LEU  45           HB2      LEU  45  -3.304   6.015   1.908
  320    HB3  LEU  45           HB1      LEU  45  -2.339   4.672   1.326
  321    HG   LEU  45           HG       LEU  45  -5.347   4.712   1.485
  322   HD11  LEU  45          HD11      LEU  45  -5.247   4.822  -0.953
  323   HD12  LEU  45          HD12      LEU  45  -3.490   4.944  -0.875
  324   HD13  LEU  45          HD13      LEU  45  -4.493   6.234  -0.212
  325   HD21  LEU  45          HD21      LEU  45  -3.426   2.707   0.323
  326   HD22  LEU  45          HD22      LEU  45  -5.184   2.639   0.195
  327   HD23  LEU  45          HD23      LEU  45  -4.405   2.482   1.774
  328    H    MET  46           HN       MET  46  -2.747   6.512   4.506
  329    HA   MET  46           HA       MET  46   0.092   6.415   4.586
  330    HB2  MET  46           HB2      MET  46  -1.794   8.021   6.321
  331    HB3  MET  46           HB1      MET  46  -0.053   8.235   6.274
  332    HG2  MET  46           HG2      MET  46  -0.220   8.860   3.896
  333    HG3  MET  46           HG1      MET  46  -1.972   8.675   4.001
  334    HE1  MET  46           HE1      MET  46  -3.499  10.202   5.646
  335    HE2  MET  46           HE2      MET  46  -2.845  11.512   6.629
  336    HE3  MET  46           HE3      MET  46  -2.433   9.840   7.002
  337    H    GLU  47           HN       GLU  47  -2.392   5.185   6.668
  338    HA   GLU  47           HA       GLU  47  -0.747   4.705   8.946
  339    HB2  GLU  47           HB2      GLU  47  -3.302   4.901   8.872
  340    HB3  GLU  47           HB1      GLU  47  -3.328   3.317   8.141
  341    HG2  GLU  47           HG2      GLU  47  -2.197   3.865  10.885
  342    HG3  GLU  47           HG1      GLU  47  -3.872   3.424  10.593
  343    H    THR  48           HN       THR  48  -1.895   2.809   6.175
  344    HA   THR  48           HA       THR  48  -0.763   0.336   6.595
  345    HB   THR  48           HB       THR  48  -0.787   1.778   3.928
  346    HG1  THR  48           HG1      THR  48  -2.874   0.954   5.590
  347   HG21  THR  48          HG21      THR  48  -1.392  -0.443   3.068
  348   HG22  THR  48          HG22      THR  48  -1.363  -1.090   4.708
  349   HG23  THR  48          HG23      THR  48   0.127  -0.509   3.965
  350    H    ALA  49           HN       ALA  49   0.529   3.024   4.690
  351    HA   ALA  49           HA       ALA  49   3.017   2.059   4.052
  352    HB1  ALA  49           HB1      ALA  49   3.656   4.351   3.626
  353    HB2  ALA  49           HB2      ALA  49   2.285   4.927   4.577
  354    HB3  ALA  49           HB3      ALA  49   2.009   4.051   3.071
  355    H    ALA  50           HN       ALA  50   2.190   4.087   6.861
  356    HA   ALA  50           HA       ALA  50   4.781   4.368   7.865
  357    HB1  ALA  50           HB1      ALA  50   2.895   5.747   8.574
  358    HB2  ALA  50           HB2      ALA  50   3.769   5.051   9.939
  359    HB3  ALA  50           HB3      ALA  50   2.223   4.362   9.434
  360    H    ARG  51           HN       ARG  51   2.459   1.765   8.384
  361    HA   ARG  51           HA       ARG  51   4.081   0.629  10.488
  362    HB2  ARG  51           HB2      ARG  51   1.552   0.383  10.319
  363    HB3  ARG  51           HB1      ARG  51   1.841  -0.746   9.001
  364    HG2  ARG  51           HG2      ARG  51   3.105  -2.192  10.515
  365    HG3  ARG  51           HG1      ARG  51   2.821  -1.054  11.833
  366    HD2  ARG  51           HD2      ARG  51   0.350  -1.378  11.396
  367    HD3  ARG  51           HD1      ARG  51   0.844  -2.692  10.320
  368    HE   ARG  51           HE       ARG  51   2.081  -3.249  12.694
  369   HH11  ARG  51          HH11      ARG  51  -1.324  -2.660  11.827
  370   HH12  ARG  51          HH12      ARG  51  -1.924  -3.767  12.976
  371   HH21  ARG  51          HH21      ARG  51   1.222  -4.677  14.296
  372   HH22  ARG  51          HH22      ARG  51  -0.490  -4.867  14.419
  373    H    LEU  52           HN       LEU  52   3.557   0.204   7.077
  374    HA   LEU  52           HA       LEU  52   5.076  -2.164   6.810
  375    HB2  LEU  52           HB2      LEU  52   4.477  -0.077   4.723
  376    HB3  LEU  52           HB1      LEU  52   5.101  -1.685   4.413
  377    HG   LEU  52           HG       LEU  52   2.390  -0.948   5.464
  378   HD11  LEU  52          HD11      LEU  52   2.641  -0.669   3.091
  379   HD12  LEU  52          HD12      LEU  52   1.592  -2.043   3.443
  380   HD13  LEU  52          HD13      LEU  52   3.262  -2.313   2.940
  381   HD21  LEU  52          HD21      LEU  52   1.903  -3.356   5.504
  382   HD22  LEU  52          HD22      LEU  52   3.167  -2.918   6.654
  383   HD23  LEU  52          HD23      LEU  52   3.594  -3.693   5.129
  384    H    GLU  53           HN       GLU  53   5.918   1.208   6.933
  385    HA   GLU  53           HA       GLU  53   8.480   1.144   5.919
  386    HB2  GLU  53           HB2      GLU  53   7.499   2.697   8.323
  387    HB3  GLU  53           HB1      GLU  53   9.019   2.989   7.500
  388    HG2  GLU  53           HG2      GLU  53   7.751   3.556   5.462
  389    HG3  GLU  53           HG1      GLU  53   6.258   3.357   6.384
  390    H    SER  54           HN       SER  54   7.393   0.578   9.237
  391    HA   SER  54           HA       SER  54   9.873  -0.081  10.343
  392    HB2  SER  54           HB2      SER  54   7.116  -0.894  11.247
  393    HB3  SER  54           HB1      SER  54   8.552  -0.639  12.252
  394    HG   SER  54           HG       SER  54   8.484   1.543  11.762
  395    H    ARG  55           HN       ARG  55   7.251  -1.991   8.965
  396    HA   ARG  55           HA       ARG  55   8.280  -4.501   9.793
  397    HB2  ARG  55           HB2      ARG  55   5.913  -4.152   9.499
  398    HB3  ARG  55           HB1      ARG  55   6.139  -3.809   7.794
  399    HG2  ARG  55           HG2      ARG  55   6.674  -6.070   7.328
  400    HG3  ARG  55           HG1      ARG  55   6.809  -6.458   9.046
  401    HD2  ARG  55           HD2      ARG  55   4.276  -5.543   7.687
  402    HD3  ARG  55           HD1      ARG  55   4.675  -7.227   8.036
  403    HE   ARG  55           HE       ARG  55   4.926  -5.811  10.409
  404   HH11  ARG  55          HH11      ARG  55   2.217  -6.525   8.170
  405   HH12  ARG  55          HH12      ARG  55   1.078  -6.623   9.438
  406   HH21  ARG  55          HH21      ARG  55   3.314  -6.099  12.104
  407   HH22  ARG  55          HH22      ARG  55   1.704  -6.461  11.680
  408    H    TYR  56           HN       TYR  56   8.295  -2.885   6.599
  409    HA   TYR  56           HA       TYR  56   9.892  -5.103   5.582
  410    HB2  TYR  56           HB2      TYR  56   8.483  -2.856   4.146
  411    HB3  TYR  56           HB1      TYR  56   9.531  -4.018   3.341
  412    HD1  TYR  56           HD2      TYR  56   8.874  -6.392   3.228
  413    HD2  TYR  56           HD1      TYR  56   6.254  -3.445   4.807
  414    HE1  TYR  56           HE2      TYR  56   6.994  -7.947   2.981
  415    HE2  TYR  56           HE1      TYR  56   4.362  -4.989   4.571
  416    HH   TYR  56           HH       TYR  56   3.758  -7.007   3.192
  417    H    GLY  57           HN       GLY  57  10.414  -2.049   6.863
  418    HA2  GLY  57           HA2      GLY  57  12.446  -1.002   7.202
  419    HA3  GLY  57           HA1      GLY  57  13.204  -2.205   6.167
  420    H    VAL  58           HN       VAL  58  10.768   0.321   5.820
  421    HA   VAL  58           HA       VAL  58  12.289   1.387   3.577
  422    HB   VAL  58           HB       VAL  58  10.223   1.815   2.247
  423   HG11  VAL  58          HG11      VAL  58  10.704  -1.083   2.851
  424   HG12  VAL  58          HG12      VAL  58  11.597  -0.093   1.687
  425   HG13  VAL  58          HG13      VAL  58   9.884  -0.449   1.426
  426   HG21  VAL  58          HG21      VAL  58   8.168   0.575   2.750
  427   HG22  VAL  58          HG22      VAL  58   8.568   1.727   4.021
  428   HG23  VAL  58          HG23      VAL  58   8.888   0.007   4.258
  429    H    SER  59           HN       SER  59  11.172   3.531   2.844
  430    HA   SER  59           HA       SER  59  10.245   4.993   5.186
  431    HB2  SER  59           HB2      SER  59  12.250   5.945   3.112
  432    HB3  SER  59           HB1      SER  59  11.635   6.889   4.468
  433    HG   SER  59           HG       SER  59  13.179   6.091   5.566
  434    H    ILE  60           HN       ILE  60   8.267   5.656   4.691
  435    HA   ILE  60           HA       ILE  60   7.693   6.474   1.927
  436    HB   ILE  60           HB       ILE  60   5.753   4.932   3.683
  437   HG12  ILE  60          HG12      ILE  60   7.196   3.991   1.187
  438   HG13  ILE  60          HG11      ILE  60   7.626   3.519   2.827
  439   HG21  ILE  60          HG21      ILE  60   5.558   5.846   0.804
  440   HG22  ILE  60          HG22      ILE  60   4.670   6.519   2.173
  441   HG23  ILE  60          HG23      ILE  60   4.360   4.864   1.649
  442   HD11  ILE  60          HD11      ILE  60   5.013   2.943   1.451
  443   HD12  ILE  60          HD12      ILE  60   5.451   2.451   3.088
  444   HD13  ILE  60          HD13      ILE  60   6.329   1.797   1.703
  445    HA   PRO  61           HA       PRO  61   6.524  10.060   4.422
  446    HB2  PRO  61           HB2      PRO  61   6.124  11.164   1.696
  447    HB3  PRO  61           HB1      PRO  61   7.079  11.812   3.033
  448    HG2  PRO  61           HG2      PRO  61   8.271  10.722   0.916
  449    HG3  PRO  61           HG1      PRO  61   8.907  10.462   2.552
  450    HD2  PRO  61           HD2      PRO  61   7.259   8.632   0.850
  451    HD3  PRO  61           HD1      PRO  61   8.667   8.258   1.872
  452    H    ASP  62           HN       ASP  62   4.570  10.874   4.932
  453    HA   ASP  62           HA       ASP  62   2.278   9.389   4.649
  454    HB2  ASP  62           HB2      ASP  62   2.520  12.322   5.309
  455    HB3  ASP  62           HB1      ASP  62   1.104  11.330   5.601
  456    H    ASP  63           HN       ASP  63   3.023  12.455   3.069
  457    HA   ASP  63           HA       ASP  63   0.526  12.697   1.752
  458    HB2  ASP  63           HB2      ASP  63   1.364  14.596   0.648
  459    HB3  ASP  63           HB1      ASP  63   2.256  14.553   2.157
  460    H    VAL  64           HN       VAL  64   3.399  11.075   0.905
  461    HA   VAL  64           HA       VAL  64   2.943  10.678  -1.884
  462    HB   VAL  64           HB       VAL  64   4.512   9.045   0.094
  463   HG11  VAL  64          HG11      VAL  64   4.724   9.200  -2.929
  464   HG12  VAL  64          HG12      VAL  64   4.126   7.826  -1.999
  465   HG13  VAL  64          HG13      VAL  64   5.823   8.295  -1.886
  466   HG21  VAL  64          HG21      VAL  64   5.404  11.316  -1.679
  467   HG22  VAL  64          HG22      VAL  64   6.472  10.323  -0.683
  468   HG23  VAL  64          HG23      VAL  64   5.254  11.346   0.078
  469    H    ALA  65           HN       ALA  65   2.385   8.773   1.028
  470    HA   ALA  65           HA       ALA  65   1.240   6.498  -0.179
  471    HB1  ALA  65           HB1      ALA  65   2.080   6.511   2.128
  472    HB2  ALA  65           HB2      ALA  65   0.402   5.960   2.045
  473    HB3  ALA  65           HB3      ALA  65   0.763   7.595   2.587
  474    H    GLY  66           HN       GLY  66  -0.028   9.593   0.662
  475    HA2  GLY  66           HA2      GLY  66  -2.776   8.765   0.277
  476    HA3  GLY  66           HA1      GLY  66  -2.218  10.395   0.620
  477    H    ARG  67           HN       ARG  67  -0.298   9.444  -1.822
  478    HA   ARG  67           HA       ARG  67  -2.011  10.827  -3.755
  479    HB2  ARG  67           HB2      ARG  67   0.287  11.702  -3.364
  480    HB3  ARG  67           HB1      ARG  67   0.918  10.159  -3.944
  481    HG2  ARG  67           HG2      ARG  67  -0.164  10.556  -6.117
  482    HG3  ARG  67           HG1      ARG  67  -0.676  12.142  -5.544
  483    HD2  ARG  67           HD2      ARG  67   1.611  12.836  -5.298
  484    HD3  ARG  67           HD1      ARG  67   2.180  11.215  -5.704
  485    HE   ARG  67           HE       ARG  67   0.548  12.683  -7.610
  486   HH11  ARG  67          HH11      ARG  67   3.754  11.411  -6.721
  487   HH12  ARG  67          HH12      ARG  67   4.389  11.467  -8.285
  488   HH21  ARG  67          HH21      ARG  67   1.410  12.725  -9.801
  489   HH22  ARG  67          HH22      ARG  67   3.041  12.283 -10.078
  490    H    VAL  68           HN       VAL  68  -0.713   7.712  -3.081
  491    HA   VAL  68           HA       VAL  68  -0.253   6.646  -5.579
  492    HB   VAL  68           HB       VAL  68  -0.690   4.379  -4.581
  493   HG11  VAL  68          HG11      VAL  68   1.148   4.517  -2.962
  494   HG12  VAL  68          HG12      VAL  68   1.002   6.276  -2.959
  495   HG13  VAL  68          HG13      VAL  68   1.493   5.434  -4.429
  496   HG21  VAL  68          HG21      VAL  68  -1.144   4.226  -2.187
  497   HG22  VAL  68          HG22      VAL  68  -2.491   5.001  -3.028
  498   HG23  VAL  68          HG23      VAL  68  -1.339   5.976  -2.106
  499    H    ASP  69           HN       ASP  69  -1.324   6.467  -7.239
  500    HA   ASP  69           HA       ASP  69  -4.091   6.989  -7.555
  501    HB2  ASP  69           HB2      ASP  69  -2.281   7.344  -9.291
  502    HB3  ASP  69           HB1      ASP  69  -2.264   5.610  -9.517
  503    H    THR  70           HN       THR  70  -2.296   3.981  -7.772
  504    HA   THR  70           HA       THR  70  -4.800   2.522  -7.376
  505    HB   THR  70           HB       THR  70  -3.942   0.817  -8.970
  506    HG1  THR  70           HG1      THR  70  -2.193   1.752 -10.434
  507   HG21  THR  70          HG21      THR  70  -5.527   2.512  -9.767
  508   HG22  THR  70          HG22      THR  70  -4.386   2.087 -11.054
  509   HG23  THR  70          HG23      THR  70  -4.183   3.593 -10.138
  510    HA   PRO  71           HA       PRO  71  -2.296   0.255  -4.446
  511    HB2  PRO  71           HB2      PRO  71  -3.409  -2.233  -5.667
  512    HB3  PRO  71           HB1      PRO  71  -3.408  -1.723  -3.971
  513    HG2  PRO  71           HG2      PRO  71  -5.648  -1.562  -5.329
  514    HG3  PRO  71           HG1      PRO  71  -5.156  -0.189  -4.309
  515    HD2  PRO  71           HD2      PRO  71  -4.834  -0.537  -7.276
  516    HD3  PRO  71           HD1      PRO  71  -5.495   0.857  -6.393
  517    H    ARG  72           HN       ARG  72  -2.262  -0.492  -7.847
  518    HA   ARG  72           HA       ARG  72   0.115  -2.053  -7.820
  519    HB2  ARG  72           HB2      ARG  72  -1.408  -2.120  -9.745
  520    HB3  ARG  72           HB1      ARG  72  -1.097  -0.422 -10.067
  521    HG2  ARG  72           HG2      ARG  72   1.203  -0.906 -10.629
  522    HG3  ARG  72           HG1      ARG  72   0.984  -2.600 -10.187
  523    HD2  ARG  72           HD2      ARG  72  -0.496  -1.168 -12.391
  524    HD3  ARG  72           HD1      ARG  72   0.898  -2.223 -12.625
  525    HE   ARG  72           HE       ARG  72  -0.535  -3.984 -11.546
  526   HH11  ARG  72          HH11      ARG  72  -1.992  -1.324 -13.454
  527   HH12  ARG  72          HH12      ARG  72  -3.308  -2.296 -13.938
  528   HH21  ARG  72          HH21      ARG  72  -2.455  -5.211 -12.222
  529   HH22  ARG  72          HH22      ARG  72  -3.604  -4.475 -13.206
  530    H    GLU  73           HN       GLU  73  -0.561   1.395  -8.182
  531    HA   GLU  73           HA       GLU  73   2.146   2.139  -8.552
  532    HB2  GLU  73           HB2      GLU  73   0.287   3.613  -9.193
  533    HB3  GLU  73           HB1      GLU  73  -0.188   3.761  -7.509
  534    HG2  GLU  73           HG2      GLU  73   1.767   5.004  -6.978
  535    HG3  GLU  73           HG1      GLU  73   2.485   4.656  -8.558
  536    H    LEU  74           HN       LEU  74   0.096   1.722  -5.754
  537    HA   LEU  74           HA       LEU  74   1.875   2.677  -3.769
  538    HB2  LEU  74           HB2      LEU  74  -0.642   2.025  -3.600
  539    HB3  LEU  74           HB1      LEU  74  -0.079   0.388  -3.401
  540    HG   LEU  74           HG       LEU  74   0.524   2.673  -1.501
  541   HD11  LEU  74          HD11      LEU  74  -1.453   0.420  -1.266
  542   HD12  LEU  74          HD12      LEU  74  -1.827   2.129  -1.493
  543   HD13  LEU  74          HD13      LEU  74  -1.063   1.585   0.000
  544   HD21  LEU  74          HD21      LEU  74   1.258   0.926   0.049
  545   HD22  LEU  74          HD22      LEU  74   2.231   0.907  -1.424
  546   HD23  LEU  74          HD23      LEU  74   0.969  -0.299  -1.185
  547    H    LEU  75           HN       LEU  75   1.353  -0.503  -5.208
  548    HA   LEU  75           HA       LEU  75   3.229  -2.056  -3.871
  549    HB2  LEU  75           HB2      LEU  75   1.488  -2.903  -5.384
  550    HB3  LEU  75           HB1      LEU  75   2.297  -2.161  -6.743
  551    HG   LEU  75           HG       LEU  75   4.208  -3.733  -6.378
  552   HD11  LEU  75          HD11      LEU  75   3.847  -5.689  -4.973
  553   HD12  LEU  75          HD12      LEU  75   2.325  -5.001  -4.403
  554   HD13  LEU  75          HD13      LEU  75   3.850  -4.205  -4.021
  555   HD21  LEU  75          HD21      LEU  75   1.500  -4.980  -6.814
  556   HD22  LEU  75          HD22      LEU  75   3.050  -5.678  -7.291
  557   HD23  LEU  75          HD23      LEU  75   2.489  -4.181  -8.038
  558    H    ASP  76           HN       ASP  76   3.541  -0.307  -6.948
  559    HA   ASP  76           HA       ASP  76   6.235  -0.791  -7.482
  560    HB2  ASP  76           HB2      ASP  76   4.819   0.118  -9.192
  561    HB3  ASP  76           HB1      ASP  76   4.506   1.566  -8.239
  562    H    LEU  77           HN       LEU  77   4.772   1.871  -5.703
  563    HA   LEU  77           HA       LEU  77   6.990   3.440  -5.171
  564    HB2  LEU  77           HB2      LEU  77   4.742   4.135  -4.625
  565    HB3  LEU  77           HB1      LEU  77   4.586   2.844  -3.455
  566    HG   LEU  77           HG       LEU  77   6.355   3.932  -2.092
  567   HD11  LEU  77          HD11      LEU  77   6.943   6.255  -2.548
  568   HD12  LEU  77          HD12      LEU  77   6.063   6.176  -4.076
  569   HD13  LEU  77          HD13      LEU  77   7.494   5.172  -3.827
  570   HD21  LEU  77          HD21      LEU  77   3.924   5.601  -2.715
  571   HD22  LEU  77          HD22      LEU  77   4.911   5.721  -1.258
  572   HD23  LEU  77          HD23      LEU  77   4.001   4.248  -1.586
  573    H    ILE  78           HN       ILE  78   5.709   0.738  -3.266
  574    HA   ILE  78           HA       ILE  78   7.840   0.907  -1.386
  575    HB   ILE  78           HB       ILE  78   5.911  -1.412  -1.769
  576   HG12  ILE  78          HG12      ILE  78   5.784   1.015   0.040
  577   HG13  ILE  78          HG11      ILE  78   4.695   0.642  -1.289
  578   HG21  ILE  78          HG21      ILE  78   6.523  -1.981   0.551
  579   HG22  ILE  78          HG22      ILE  78   7.674  -0.645   0.571
  580   HG23  ILE  78          HG23      ILE  78   7.932  -2.015  -0.510
  581   HD11  ILE  78          HD11      ILE  78   3.651   0.169   0.845
  582   HD12  ILE  78          HD12      ILE  78   4.985  -0.885   1.282
  583   HD13  ILE  78          HD13      ILE  78   3.907  -1.339  -0.044
  584    H    ASN  79           HN       ASN  79   7.156  -1.179  -4.166
  585    HA   ASN  79           HA       ASN  79   9.337  -2.916  -3.871
  586    HB2  ASN  79           HB2      ASN  79   7.916  -2.010  -6.377
  587    HB3  ASN  79           HB1      ASN  79   9.238  -3.167  -6.420
  588   HD21  ASN  79          HD21      ASN  79   8.399  -4.422  -3.891
  589   HD22  ASN  79          HD22      ASN  79   6.998  -5.361  -4.310
  590    H    GLY  80           HN       GLY  80   9.187   0.203  -5.545
  591    HA2  GLY  80           HA2      GLY  80  11.832   0.246  -6.462
  592    HA3  GLY  80           HA1      GLY  80  10.841   1.662  -6.136
  593    H    ALA  81           HN       ALA  81  10.440   1.133  -3.367
  594    HA   ALA  81           HA       ALA  81  12.853   2.225  -2.308
  595    HB1  ALA  81           HB1      ALA  81  10.410   1.201  -0.855
  596    HB2  ALA  81           HB2      ALA  81  10.655   2.856  -1.412
  597    HB3  ALA  81           HB3      ALA  81  11.693   2.185  -0.152
  598    H    LEU  82           HN       LEU  82  11.273  -0.888  -2.194
  599    HA   LEU  82           HA       LEU  82  12.970  -2.164  -0.341
  600    HB2  LEU  82           HB2      LEU  82  11.208  -3.229  -2.510
  601    HB3  LEU  82           HB1      LEU  82  12.075  -4.260  -1.394
  602    HG   LEU  82           HG       LEU  82  10.049  -2.196  -0.539
  603   HD11  LEU  82          HD11      LEU  82   8.558  -4.091  -0.215
  604   HD12  LEU  82          HD12      LEU  82   9.790  -5.166  -0.879
  605   HD13  LEU  82          HD13      LEU  82   9.034  -3.945  -1.911
  606   HD21  LEU  82          HD21      LEU  82  10.112  -3.426   1.570
  607   HD22  LEU  82          HD22      LEU  82  11.703  -2.783   1.163
  608   HD23  LEU  82          HD23      LEU  82  11.353  -4.494   0.915
  609    H    ALA  83           HN       ALA  83  13.188  -1.815  -3.833
  610    HA   ALA  83           HA       ALA  83  15.376  -3.639  -4.114
  611    HB1  ALA  83           HB1      ALA  83  13.865  -3.130  -5.982
  612    HB2  ALA  83           HB2      ALA  83  15.540  -2.762  -6.392
  613    HB3  ALA  83           HB3      ALA  83  14.428  -1.458  -5.981
  614    H    GLU  84           HN       GLU  84  15.044  -0.493  -3.019
  615    HA   GLU  84           HA       GLU  84  17.846   0.230  -3.475
  616    HB2  GLU  84           HB2      GLU  84  16.122   1.819  -4.182
  617    HB3  GLU  84           HB1      GLU  84  15.443   1.823  -2.566
  618    HG2  GLU  84           HG2      GLU  84  17.450   2.881  -1.716
  619    HG3  GLU  84           HG1      GLU  84  18.171   2.825  -3.325
  620    H    ALA  85           HN       ALA  85  15.958  -1.280  -1.246
  621    HA   ALA  85           HA       ALA  85  16.873   0.028   1.143
  622    HB1  ALA  85           HB1      ALA  85  15.581  -1.673   2.314
  623    HB2  ALA  85           HB2      ALA  85  15.321  -2.535   0.798
  624    HB3  ALA  85           HB3      ALA  85  14.623  -0.932   1.030
  625    H    ALA  86           HN       ALA  86  18.242  -0.817   2.637
  626    HA   ALA  86           HA       ALA  86  20.040  -2.883   1.630
  627    HB1  ALA  86           HB1      ALA  86  20.463  -0.866   3.847
  628    HB2  ALA  86           HB2      ALA  86  21.104  -0.751   2.207
  629    HB3  ALA  86           HB3      ALA  86  21.656  -2.036   3.282
  630    H28  SXV  87          H28A      SXV  87  -4.647  14.334   1.372
  631   H28A  SXV  87          H28B      SXV  87  -5.527  14.618   2.866
  632    H30  SXV  87          H30C      SXV  87  -3.806  13.014   4.698
  633   H30A  SXV  87          H30A      SXV  87  -4.422  14.636   5.013
  634   H30B  SXV  87          H30B      SXV  87  -2.697  14.302   5.159
  635    H31  SXV  87          H31C      SXV  87  -1.324  13.866   3.098
  636   H31A  SXV  87          H31A      SXV  87  -2.119  13.839   1.525
  637   H31B  SXV  87          H31B      SXV  87  -2.432  12.556   2.697
  638    H32  SXV  87          H32A      SXV  87  -2.263  16.250   3.646
  639   HO33  SXV  87          H33A      SXV  87  -4.559  17.169   2.669
  640   HN36  SXV  87          H36A      SXV  87  -0.946  16.005   1.720
  641    H37  SXV  87          H37B      SXV  87  -1.539  17.789  -0.399
  642   H37A  SXV  87          H37A      SXV  87  -1.798  16.128  -0.946
  643    H38  SXV  87          H38B      SXV  87   0.367  16.719  -1.602
  644   H38A  SXV  87          H38A      SXV  87   0.526  15.565  -0.306
  645   HN41  SXV  87          H41A      SXV  87   2.717  16.592  -0.566
  646    H42  SXV  87          H42B      SXV  87   3.292  18.278   1.636
  647   H42A  SXV  87          H42A      SXV  87   3.544  19.120   0.117
  648    H43  SXV  87          H43B      SXV  87   4.739  16.456   0.832
  649   H43A  SXV  87          H43A      SXV  87   5.175  17.438  -0.553
  650    H1   SXV  87           H1B      SXV  87   4.407  18.727   3.068
  651    H1A  SXV  87           H1A      SXV  87   5.118  17.124   3.327
  652    H2   SXV  87           H2A      SXV  87   6.524  19.660   4.058
  653    H2A  SXV  87           H2B      SXV  87   7.054  18.004   4.324
  654    H4   SXV  87           H4C      SXV  87   4.470  20.212   6.587
  655    H4A  SXV  87           H4A      SXV  87   6.048  20.636   5.916
  656    H4B  SXV  87           H4B      SXV  87   5.945  19.653   7.384
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  21.049 -10.138  -5.680
    2    H2   MET   1           HT2      MET   1  20.962  -8.571  -5.039
    3    H3   MET   1           HT3      MET   1  19.944  -9.009  -6.313
    4    HA   MET   1           HA       MET   1  18.773 -10.517  -4.939
    5    HB2  MET   1           HB2      MET   1  20.574 -11.172  -3.429
    6    HB3  MET   1           HB1      MET   1  20.680  -9.532  -2.804
    7    HG2  MET   1           HG2      MET   1  18.412  -9.745  -1.888
    8    HG3  MET   1           HG1      MET   1  18.332 -11.395  -2.494
    9    HE1  MET   1           HE1      MET   1  21.319 -10.034   0.762
   10    HE2  MET   1           HE2      MET   1  20.168  -8.944  -0.011
   11    HE3  MET   1           HE3      MET   1  21.492  -9.634  -0.949
   12    H    ALA   2           HN       ALA   2  16.964  -9.446  -5.041
   13    HA   ALA   2           HA       ALA   2  16.775  -6.887  -3.626
   14    HB1  ALA   2           HB1      ALA   2  15.426  -7.625  -6.235
   15    HB2  ALA   2           HB2      ALA   2  16.753  -6.480  -6.052
   16    HB3  ALA   2           HB3      ALA   2  15.179  -6.127  -5.338
   17    H    THR   3           HN       THR   3  15.474  -7.143  -1.970
   18    HA   THR   3           HA       THR   3  13.606  -9.357  -1.857
   19    HB   THR   3           HB       THR   3  14.171  -7.140   0.035
   20    HG1  THR   3           HG1      THR   3  15.322  -9.088   1.111
   21   HG21  THR   3          HG21      THR   3  12.872  -9.833   0.471
   22   HG22  THR   3          HG22      THR   3  12.070  -8.263   0.514
   23   HG23  THR   3          HG23      THR   3  13.245  -8.686   1.757
   24    H    LEU   4           HN       LEU   4  11.784  -8.919  -3.012
   25    HA   LEU   4           HA       LEU   4  10.657  -6.215  -2.772
   26    HB2  LEU   4           HB2      LEU   4  10.392  -8.133  -5.085
   27    HB3  LEU   4           HB1      LEU   4   9.643  -6.555  -4.977
   28    HG   LEU   4           HG       LEU   4  12.609  -7.102  -5.155
   29   HD11  LEU   4          HD11      LEU   4  12.433  -6.063  -7.355
   30   HD12  LEU   4          HD12      LEU   4  10.685  -5.937  -7.150
   31   HD13  LEU   4          HD13      LEU   4  11.450  -7.523  -7.240
   32   HD21  LEU   4          HD21      LEU   4  12.844  -4.674  -5.380
   33   HD22  LEU   4          HD22      LEU   4  12.151  -5.113  -3.819
   34   HD23  LEU   4          HD23      LEU   4  11.114  -4.482  -5.096
   35    H    LEU   5           HN       LEU   5   8.808  -6.129  -1.743
   36    HA   LEU   5           HA       LEU   5   7.423  -8.540  -1.126
   37    HB2  LEU   5           HB2      LEU   5   5.831  -7.109   0.120
   38    HB3  LEU   5           HB1      LEU   5   7.489  -6.856   0.596
   39    HG   LEU   5           HG       LEU   5   7.379  -4.760  -0.934
   40   HD11  LEU   5          HD11      LEU   5   4.440  -5.214  -0.490
   41   HD12  LEU   5          HD12      LEU   5   5.272  -5.257  -2.042
   42   HD13  LEU   5          HD13      LEU   5   5.177  -3.747  -1.135
   43   HD21  LEU   5          HD21      LEU   5   7.574  -4.658   1.457
   44   HD22  LEU   5          HD22      LEU   5   5.846  -4.950   1.627
   45   HD23  LEU   5          HD23      LEU   5   6.416  -3.446   0.899
   46    H    THR   6           HN       THR   6   5.445  -9.217  -1.852
   47    HA   THR   6           HA       THR   6   4.849  -8.170  -4.475
   48    HB   THR   6           HB       THR   6   3.665 -10.419  -4.646
   49    HG1  THR   6           HG1      THR   6   4.897 -11.861  -2.985
   50   HG21  THR   6          HG21      THR   6   6.657 -10.342  -4.175
   51   HG22  THR   6          HG22      THR   6   5.851  -9.925  -5.688
   52   HG23  THR   6          HG23      THR   6   5.792 -11.581  -5.086
   53    H    THR   7           HN       THR   7   2.377  -9.147  -4.909
   54    HA   THR   7           HA       THR   7   0.638  -7.230  -3.883
   55    HB   THR   7           HB       THR   7  -0.051  -9.921  -5.088
   56    HG1  THR   7           HG1      THR   7   0.221  -8.904  -7.094
   57   HG21  THR   7          HG21      THR   7  -1.997  -8.715  -5.972
   58   HG22  THR   7          HG22      THR   7  -1.439  -7.234  -5.195
   59   HG23  THR   7          HG23      THR   7  -1.945  -8.606  -4.211
   60    H    ASP   8           HN       ASP   8   1.300 -10.565  -3.047
   61    HA   ASP   8           HA       ASP   8  -0.708 -11.124  -1.211
   62    HB2  ASP   8           HB2      ASP   8   0.720 -12.847  -2.086
   63    HB3  ASP   8           HB1      ASP   8   2.143 -12.101  -1.369
   64    H    ASP   9           HN       ASP   9   2.407  -9.564  -0.732
   65    HA   ASP   9           HA       ASP   9   2.170  -9.414   2.135
   66    HB2  ASP   9           HB2      ASP   9   4.287  -9.230   0.556
   67    HB3  ASP   9           HB1      ASP   9   3.890  -7.514   0.614
   68    H    LEU  10           HN       LEU  10   1.736  -7.265  -0.590
   69    HA   LEU  10           HA       LEU  10   1.002  -4.920   0.709
   70    HB2  LEU  10           HB2      LEU  10   1.465  -5.032  -1.678
   71    HB3  LEU  10           HB1      LEU  10   0.068  -6.056  -1.927
   72    HG   LEU  10           HG       LEU  10  -1.410  -4.188  -1.319
   73   HD11  LEU  10          HD11      LEU  10  -0.496  -1.935  -1.099
   74   HD12  LEU  10          HD12      LEU  10   1.139  -2.592  -1.169
   75   HD13  LEU  10          HD13      LEU  10   0.083  -3.000   0.182
   76   HD21  LEU  10          HD21      LEU  10   0.596  -3.550  -3.475
   77   HD22  LEU  10          HD22      LEU  10  -1.017  -2.848  -3.329
   78   HD23  LEU  10          HD23      LEU  10  -0.828  -4.573  -3.647
   79    H    ARG  11           HN       ARG  11  -0.955  -7.659  -0.332
   80    HA   ARG  11           HA       ARG  11  -3.491  -6.786   0.385
   81    HB2  ARG  11           HB2      ARG  11  -2.962  -8.862  -0.876
   82    HB3  ARG  11           HB1      ARG  11  -2.425  -9.593   0.630
   83    HG2  ARG  11           HG2      ARG  11  -4.753  -9.120   1.522
   84    HG3  ARG  11           HG1      ARG  11  -5.205  -8.766  -0.149
   85    HD2  ARG  11           HD2      ARG  11  -4.139 -11.352   0.961
   86    HD3  ARG  11           HD1      ARG  11  -5.749 -11.047   0.313
   87    HE   ARG  11           HE       ARG  11  -4.717 -10.781  -1.861
   88   HH11  ARG  11          HH11      ARG  11  -2.800 -12.343   0.675
   89   HH12  ARG  11          HH12      ARG  11  -1.801 -13.231  -0.355
   90   HH21  ARG  11          HH21      ARG  11  -3.345 -12.052  -3.384
   91   HH22  ARG  11          HH22      ARG  11  -2.210 -13.136  -2.734
   92    H    ARG  12           HN       ARG  12  -1.246  -8.821   2.282
   93    HA   ARG  12           HA       ARG  12  -2.904  -8.894   4.547
   94    HB2  ARG  12           HB2      ARG  12  -1.007  -9.748   5.850
   95    HB3  ARG  12           HB1      ARG  12  -1.133 -10.558   4.301
   96    HG2  ARG  12           HG2      ARG  12   0.707  -9.270   3.439
   97    HG3  ARG  12           HG1      ARG  12   0.718  -8.323   4.935
   98    HD2  ARG  12           HD2      ARG  12   1.379 -10.301   6.204
   99    HD3  ARG  12           HD1      ARG  12   1.265 -11.300   4.755
  100    HE   ARG  12           HE       ARG  12   3.072  -9.274   4.184
  101   HH11  ARG  12          HH11      ARG  12   2.969 -11.870   6.629
  102   HH12  ARG  12          HH12      ARG  12   4.631 -12.177   6.574
  103   HH21  ARG  12          HH21      ARG  12   5.357  -9.705   4.117
  104   HH22  ARG  12          HH22      ARG  12   6.032 -10.885   5.164
  105    H    ALA  13           HN       ALA  13  -0.454  -6.545   3.708
  106    HA   ALA  13           HA       ALA  13  -0.556  -5.213   6.241
  107    HB1  ALA  13           HB1      ALA  13   0.742  -3.468   5.168
  108    HB2  ALA  13           HB2      ALA  13   0.433  -4.193   3.589
  109    HB3  ALA  13           HB3      ALA  13   1.398  -5.060   4.784
  110    H    LEU  14           HN       LEU  14  -2.249  -4.890   3.193
  111    HA   LEU  14           HA       LEU  14  -3.447  -2.398   3.810
  112    HB2  LEU  14           HB2      LEU  14  -3.143  -3.286   1.496
  113    HB3  LEU  14           HB1      LEU  14  -4.356  -4.500   1.837
  114    HG   LEU  14           HG       LEU  14  -6.065  -2.740   2.057
  115   HD11  LEU  14          HD11      LEU  14  -4.627  -0.939   2.867
  116   HD12  LEU  14          HD12      LEU  14  -5.531  -0.438   1.437
  117   HD13  LEU  14          HD13      LEU  14  -3.826  -0.866   1.299
  118   HD21  LEU  14          HD21      LEU  14  -4.446  -2.530  -0.478
  119   HD22  LEU  14          HD22      LEU  14  -6.139  -2.070  -0.285
  120   HD23  LEU  14          HD23      LEU  14  -5.658  -3.759  -0.121
  121    H    VAL  15           HN       VAL  15  -4.320  -5.744   4.355
  122    HA   VAL  15           HA       VAL  15  -6.936  -5.287   5.357
  123    HB   VAL  15           HB       VAL  15  -4.948  -7.418   6.255
  124   HG11  VAL  15          HG11      VAL  15  -6.921  -8.687   6.973
  125   HG12  VAL  15          HG12      VAL  15  -7.955  -7.332   6.519
  126   HG13  VAL  15          HG13      VAL  15  -6.791  -7.152   7.834
  127   HG21  VAL  15          HG21      VAL  15  -6.098  -8.899   4.686
  128   HG22  VAL  15          HG22      VAL  15  -5.366  -7.526   3.855
  129   HG23  VAL  15          HG23      VAL  15  -7.104  -7.553   4.153
  130    H    GLU  16           HN       GLU  16  -3.765  -5.293   6.879
  131    HA   GLU  16           HA       GLU  16  -4.497  -4.818   9.539
  132    HB2  GLU  16           HB2      GLU  16  -1.901  -4.064   8.130
  133    HB3  GLU  16           HB1      GLU  16  -2.195  -3.994   9.852
  134    HG2  GLU  16           HG2      GLU  16  -2.518  -6.330  10.011
  135    HG3  GLU  16           HG1      GLU  16  -2.486  -6.502   8.258
  136    H    SER  17           HN       SER  17  -4.772  -2.695   6.937
  137    HA   SER  17           HA       SER  17  -4.271  -0.296   8.448
  138    HB2  SER  17           HB2      SER  17  -5.556  -0.592   5.734
  139    HB3  SER  17           HB1      SER  17  -4.796   0.851   6.411
  140    HG   SER  17           HG       SER  17  -3.247  -1.475   6.283
  141    H    ALA  18           HN       ALA  18  -7.182  -1.502   6.710
  142    HA   ALA  18           HA       ALA  18  -8.912   0.170   8.275
  143    HB1  ALA  18           HB1      ALA  18 -10.721  -0.810   6.979
  144    HB2  ALA  18           HB2      ALA  18  -9.602  -2.009   6.318
  145    HB3  ALA  18           HB3      ALA  18  -9.394  -0.302   5.931
  146    H    GLY  19           HN       GLY  19  -7.877  -3.163   8.419
  147    HA2  GLY  19           HA2      GLY  19  -8.129  -4.616  10.188
  148    HA3  GLY  19           HA1      GLY  19  -9.274  -3.498  10.929
  149    H    GLU  20           HN       GLU  20 -11.246  -3.190   9.438
  150    HA   GLU  20           HA       GLU  20 -12.352  -5.838   8.922
  151    HB2  GLU  20           HB2      GLU  20 -13.692  -3.153   9.296
  152    HB3  GLU  20           HB1      GLU  20 -14.542  -4.642   8.927
  153    HG2  GLU  20           HG2      GLU  20 -12.872  -4.180  11.384
  154    HG3  GLU  20           HG1      GLU  20 -14.625  -4.025  11.308
  155    H    THR  21           HN       THR  21 -11.828  -6.384   6.907
  156    HA   THR  21           HA       THR  21 -12.732  -4.605   4.768
  157    HB   THR  21           HB       THR  21 -11.153  -5.970   3.271
  158    HG1  THR  21           HG1      THR  21 -10.511  -7.099   5.763
  159   HG21  THR  21          HG21      THR  21  -9.133  -4.714   3.918
  160   HG22  THR  21          HG22      THR  21  -9.884  -4.318   5.463
  161   HG23  THR  21          HG23      THR  21 -10.576  -3.701   3.963
  162    H    ASP  22           HN       ASP  22 -14.706  -5.621   5.637
  163    HA   ASP  22           HA       ASP  22 -15.113  -8.432   5.009
  164    HB2  ASP  22           HB2      ASP  22 -15.891  -7.597   7.147
  165    HB3  ASP  22           HB1      ASP  22 -16.920  -6.425   6.335
  166    H    GLY  23           HN       GLY  23 -16.566  -5.302   4.167
  167    HA2  GLY  23           HA2      GLY  23 -18.069  -6.580   2.013
  168    HA3  GLY  23           HA1      GLY  23 -18.203  -4.899   2.534
  169    H    THR  24           HN       THR  24 -15.106  -5.584   2.528
  170    HA   THR  24           HA       THR  24 -14.591  -4.618  -0.202
  171    HB   THR  24           HB       THR  24 -12.886  -4.293   2.279
  172    HG1  THR  24           HG1      THR  24 -14.745  -2.508   1.086
  173   HG21  THR  24          HG21      THR  24 -12.895  -2.854  -0.383
  174   HG22  THR  24          HG22      THR  24 -11.708  -4.055   0.128
  175   HG23  THR  24          HG23      THR  24 -11.815  -2.507   0.967
  176    H    ASP  25           HN       ASP  25 -14.517  -6.917  -0.888
  177    HA   ASP  25           HA       ASP  25 -12.758  -8.728   0.376
  178    HB2  ASP  25           HB2      ASP  25 -14.571  -9.561  -1.047
  179    HB3  ASP  25           HB1      ASP  25 -13.795  -8.847  -2.462
  180    H    LEU  26           HN       LEU  26 -10.737  -8.819   0.379
  181    HA   LEU  26           HA       LEU  26  -9.177  -7.471  -1.740
  182    HB2  LEU  26           HB2      LEU  26  -9.277  -6.480   0.580
  183    HB3  LEU  26           HB1      LEU  26  -8.452  -7.918   1.140
  184    HG   LEU  26           HG       LEU  26  -6.587  -7.331  -0.426
  185   HD11  LEU  26          HD11      LEU  26  -8.086  -4.722  -0.558
  186   HD12  LEU  26          HD12      LEU  26  -7.890  -5.862  -1.885
  187   HD13  LEU  26          HD13      LEU  26  -6.480  -5.039  -1.220
  188   HD21  LEU  26          HD21      LEU  26  -7.316  -5.389   1.740
  189   HD22  LEU  26          HD22      LEU  26  -5.683  -5.686   1.102
  190   HD23  LEU  26          HD23      LEU  26  -6.567  -6.969   1.949
  191    H    SER  27           HN       SER  27 -10.188 -10.283  -0.921
  192    HA   SER  27           HA       SER  27  -7.933 -11.900  -0.228
  193    HB2  SER  27           HB2      SER  27 -10.528 -12.890  -1.348
  194    HB3  SER  27           HB1      SER  27  -9.466 -13.655  -0.164
  195    HG   SER  27           HG       SER  27 -11.461 -11.876   0.148
  196    H    GLY  28           HN       GLY  28  -8.055 -10.422  -2.976
  197    HA2  GLY  28           HA2      GLY  28  -6.910 -12.594  -4.470
  198    HA3  GLY  28           HA1      GLY  28  -8.424 -11.983  -5.125
  199    H    ASP  29           HN       ASP  29  -8.062 -10.738  -6.730
  200    HA   ASP  29           HA       ASP  29  -5.552  -9.249  -6.904
  201    HB2  ASP  29           HB2      ASP  29  -6.175 -10.719  -8.778
  202    HB3  ASP  29           HB1      ASP  29  -7.656  -9.798  -8.999
  203    H    PHE  30           HN       PHE  30  -5.465  -7.057  -6.924
  204    HA   PHE  30           HA       PHE  30  -7.953  -5.531  -6.986
  205    HB2  PHE  30           HB2      PHE  30  -7.548  -4.514  -4.761
  206    HB3  PHE  30           HB1      PHE  30  -7.915  -6.231  -4.693
  207    HD1  PHE  30           HD2      PHE  30  -6.190  -7.841  -4.034
  208    HD2  PHE  30           HD1      PHE  30  -5.370  -3.667  -4.116
  209    HE1  PHE  30           HE2      PHE  30  -4.168  -8.215  -2.691
  210    HE2  PHE  30           HE1      PHE  30  -3.347  -4.039  -2.771
  211    HZ   PHE  30           HZ       PHE  30  -2.745  -6.312  -2.056
  212    H    LEU  31           HN       LEU  31  -5.059  -5.598  -8.282
  213    HA   LEU  31           HA       LEU  31  -3.841  -3.182  -7.359
  214    HB2  LEU  31           HB2      LEU  31  -3.256  -4.791  -9.848
  215    HB3  LEU  31           HB1      LEU  31  -2.318  -3.419  -9.315
  216    HG   LEU  31           HG       LEU  31  -1.083  -5.301  -8.740
  217   HD11  LEU  31          HD11      LEU  31  -0.972  -5.321  -6.305
  218   HD12  LEU  31          HD12      LEU  31  -2.480  -4.406  -6.249
  219   HD13  LEU  31          HD13      LEU  31  -1.044  -3.695  -6.989
  220   HD21  LEU  31          HD21      LEU  31  -1.919  -7.208  -7.461
  221   HD22  LEU  31          HD22      LEU  31  -2.776  -7.009  -8.990
  222   HD23  LEU  31          HD23      LEU  31  -3.536  -6.507  -7.481
  223    H    ASP  32           HN       ASP  32  -6.229  -3.865  -9.680
  224    HA   ASP  32           HA       ASP  32  -5.873  -1.309 -11.067
  225    HB2  ASP  32           HB2      ASP  32  -7.468  -2.098 -12.675
  226    HB3  ASP  32           HB1      ASP  32  -6.328  -3.400 -12.364
  227    H    LEU  33           HN       LEU  33  -7.377  -2.318  -8.341
  228    HA   LEU  33           HA       LEU  33  -9.892  -0.995  -8.690
  229    HB2  LEU  33           HB2      LEU  33  -8.555  -2.336  -6.369
  230    HB3  LEU  33           HB1      LEU  33 -10.012  -1.387  -6.150
  231    HG   LEU  33           HG       LEU  33  -9.829  -3.773  -8.000
  232   HD11  LEU  33          HD11      LEU  33 -10.961  -3.551  -5.204
  233   HD12  LEU  33          HD12      LEU  33  -9.508  -4.440  -5.655
  234   HD13  LEU  33          HD13      LEU  33 -11.081  -4.957  -6.260
  235   HD21  LEU  33          HD21      LEU  33 -12.277  -3.603  -7.940
  236   HD22  LEU  33          HD22      LEU  33 -11.540  -2.122  -8.571
  237   HD23  LEU  33          HD23      LEU  33 -12.130  -2.175  -6.911
  238    H    ARG  34           HN       ARG  34 -10.358   1.012  -8.301
  239    HA   ARG  34           HA       ARG  34  -8.393   2.878  -7.438
  240    HB2  ARG  34           HB2      ARG  34 -11.382   3.080  -7.801
  241    HB3  ARG  34           HB1      ARG  34 -10.434   4.410  -7.171
  242    HG2  ARG  34           HG2      ARG  34 -10.143   3.151  -9.889
  243    HG3  ARG  34           HG1      ARG  34 -10.925   4.694  -9.526
  244    HD2  ARG  34           HD2      ARG  34  -8.660   5.306  -8.444
  245    HD3  ARG  34           HD1      ARG  34  -8.041   3.945  -9.368
  246    HE   ARG  34           HE       ARG  34  -9.503   6.091 -10.706
  247   HH11  ARG  34          HH11      ARG  34  -6.690   4.026 -10.505
  248   HH12  ARG  34          HH12      ARG  34  -5.695   4.971 -11.516
  249   HH21  ARG  34          HH21      ARG  34  -8.266   7.332 -12.227
  250   HH22  ARG  34          HH22      ARG  34  -6.662   6.855 -12.639
  251    H    PHE  35           HN       PHE  35  -8.513   4.091  -5.448
  252    HA   PHE  35           HA       PHE  35  -9.080   2.354  -3.275
  253    HB2  PHE  35           HB2      PHE  35  -8.100   5.204  -3.327
  254    HB3  PHE  35           HB1      PHE  35  -8.291   4.255  -1.851
  255    HD1  PHE  35           HD2      PHE  35  -7.044   1.923  -1.810
  256    HD2  PHE  35           HD1      PHE  35  -6.115   5.139  -4.461
  257    HE1  PHE  35           HE2      PHE  35  -4.832   1.005  -2.161
  258    HE2  PHE  35           HE1      PHE  35  -3.878   4.197  -4.803
  259    HZ   PHE  35           HZ       PHE  35  -3.282   2.009  -3.619
  260    H    GLU  36           HN       GLU  36 -10.778   4.798  -4.893
  261    HA   GLU  36           HA       GLU  36 -12.646   5.498  -2.889
  262    HB2  GLU  36           HB2      GLU  36 -12.161   6.527  -5.235
  263    HB3  GLU  36           HB1      GLU  36 -13.312   5.333  -5.812
  264    HG2  GLU  36           HG2      GLU  36 -14.455   7.383  -5.486
  265    HG3  GLU  36           HG1      GLU  36 -14.967   6.267  -4.216
  266    H    ASP  37           HN       ASP  37 -12.553   3.002  -5.406
  267    HA   ASP  37           HA       ASP  37 -15.089   1.858  -5.095
  268    HB2  ASP  37           HB2      ASP  37 -12.487   0.649  -6.056
  269    HB3  ASP  37           HB1      ASP  37 -13.986  -0.263  -6.012
  270    H    ILE  38           HN       ILE  38 -12.074   1.220  -3.450
  271    HA   ILE  38           HA       ILE  38 -13.416  -0.824  -1.892
  272    HB   ILE  38           HB       ILE  38 -11.144  -1.355  -0.951
  273   HG12  ILE  38          HG12      ILE  38 -10.202   0.488  -3.158
  274   HG13  ILE  38          HG11      ILE  38 -10.135   0.888  -1.453
  275   HG21  ILE  38          HG21      ILE  38 -10.403  -2.482  -3.016
  276   HG22  ILE  38          HG22      ILE  38 -11.534  -1.463  -3.926
  277   HG23  ILE  38          HG23      ILE  38 -12.148  -2.622  -2.751
  278   HD11  ILE  38          HD11      ILE  38  -8.668  -1.365  -2.822
  279   HD12  ILE  38          HD12      ILE  38  -8.590  -0.995  -1.099
  280   HD13  ILE  38          HD13      ILE  38  -7.966   0.160  -2.278
  281    H    GLY  39           HN       GLY  39 -13.554   2.189  -1.653
  282    HA2  GLY  39           HA2      GLY  39 -14.076   3.688   0.012
  283    HA3  GLY  39           HA1      GLY  39 -14.368   2.284   1.022
  284    H    TYR  40           HN       TYR  40 -11.356   3.312  -0.425
  285    HA   TYR  40           HA       TYR  40 -10.235   3.368   2.259
  286    HB2  TYR  40           HB2      TYR  40  -9.317   2.182  -0.191
  287    HB3  TYR  40           HB1      TYR  40  -8.117   3.305   0.449
  288    HD1  TYR  40           HD2      TYR  40  -9.991   0.211   1.105
  289    HD2  TYR  40           HD1      TYR  40  -7.027   2.908   2.514
  290    HE1  TYR  40           HE2      TYR  40  -9.306  -1.431   2.809
  291    HE2  TYR  40           HE1      TYR  40  -6.335   1.283   4.209
  292    HH   TYR  40           HH       TYR  40  -7.140  -1.891   4.174
  293    H    ASP  41           HN       ASP  41  -9.607   5.107   3.073
  294    HA   ASP  41           HA       ASP  41  -9.417   7.602   1.613
  295    HB2  ASP  41           HB2      ASP  41  -8.685   6.919   4.477
  296    HB3  ASP  41           HB1      ASP  41  -8.659   8.533   3.790
  297    H    SER  42           HN       SER  42  -7.437   8.813   1.506
  298    HA   SER  42           HA       SER  42  -5.143   7.187   1.011
  299    HB2  SER  42           HB2      SER  42  -4.020   9.202   0.414
  300    HB3  SER  42           HB1      SER  42  -5.693   9.459  -0.088
  301    H    LEU  43           HN       LEU  43  -6.387   9.119   3.613
  302    HA   LEU  43           HA       LEU  43  -4.266   9.124   5.418
  303    HB2  LEU  43           HB2      LEU  43  -7.226   8.858   5.942
  304    HB3  LEU  43           HB1      LEU  43  -6.040   9.132   7.198
  305    HG   LEU  43           HG       LEU  43  -6.573  11.031   4.910
  306   HD11  LEU  43          HD11      LEU  43  -8.484  10.878   6.432
  307   HD12  LEU  43          HD12      LEU  43  -7.653  12.423   6.596
  308   HD13  LEU  43          HD13      LEU  43  -7.413  11.160   7.803
  309   HD21  LEU  43          HD21      LEU  43  -4.937  11.315   7.426
  310   HD22  LEU  43          HD22      LEU  43  -5.223  12.579   6.229
  311   HD23  LEU  43          HD23      LEU  43  -4.297  11.145   5.791
  312    H    ALA  44           HN       ALA  44  -6.611   6.611   4.702
  313    HA   ALA  44           HA       ALA  44  -5.692   4.821   6.717
  314    HB1  ALA  44           HB1      ALA  44  -7.968   4.687   5.814
  315    HB2  ALA  44           HB2      ALA  44  -7.105   3.162   5.600
  316    HB3  ALA  44           HB3      ALA  44  -7.315   4.257   4.233
  317    H    LEU  45           HN       LEU  45  -4.909   5.432   3.379
  318    HA   LEU  45           HA       LEU  45  -3.268   3.169   2.921
  319    HB2  LEU  45           HB2      LEU  45  -3.214   5.908   1.666
  320    HB3  LEU  45           HB1      LEU  45  -2.319   4.526   1.070
  321    HG   LEU  45           HG       LEU  45  -5.319   4.713   1.220
  322   HD11  LEU  45          HD11      LEU  45  -4.366   6.219  -0.452
  323   HD12  LEU  45          HD12      LEU  45  -5.194   4.862  -1.213
  324   HD13  LEU  45          HD13      LEU  45  -3.431   4.886  -1.127
  325   HD21  LEU  45          HD21      LEU  45  -3.492   2.645   0.024
  326   HD22  LEU  45          HD22      LEU  45  -5.250   2.653  -0.095
  327   HD23  LEU  45          HD23      LEU  45  -4.471   2.438   1.477
  328    H    MET  46           HN       MET  46  -2.761   6.192   4.482
  329    HA   MET  46           HA       MET  46   0.077   6.137   4.559
  330    HB2  MET  46           HB2      MET  46  -1.879   7.491   6.441
  331    HB3  MET  46           HB1      MET  46  -0.150   7.801   6.393
  332    HG2  MET  46           HG2      MET  46  -0.313   8.717   4.177
  333    HG3  MET  46           HG1      MET  46  -2.005   8.252   4.063
  334    HE1  MET  46           HE1      MET  46  -1.133  11.138   3.327
  335    HE2  MET  46           HE2      MET  46  -2.342  12.110   4.167
  336    HE3  MET  46           HE3      MET  46  -2.817  10.617   3.357
  337    H    GLU  47           HN       GLU  47  -2.439   4.602   6.352
  338    HA   GLU  47           HA       GLU  47  -0.751   3.716   8.507
  339    HB2  GLU  47           HB2      GLU  47  -3.260   4.109   8.688
  340    HB3  GLU  47           HB1      GLU  47  -3.482   2.669   7.707
  341    HG2  GLU  47           HG2      GLU  47  -3.781   2.116  10.022
  342    HG3  GLU  47           HG1      GLU  47  -2.304   1.356   9.427
  343    H    THR  48           HN       THR  48  -2.063   2.481   5.477
  344    HA   THR  48           HA       THR  48  -1.213  -0.158   5.493
  345    HB   THR  48           HB       THR  48  -1.172   1.744   3.136
  346    HG1  THR  48           HG1      THR  48  -3.263   0.479   4.542
  347   HG21  THR  48          HG21      THR  48  -1.807  -0.257   1.864
  348   HG22  THR  48          HG22      THR  48  -1.769  -1.213   3.343
  349   HG23  THR  48          HG23      THR  48  -0.274  -0.513   2.706
  350    H    ALA  49           HN       ALA  49   0.390   2.735   4.198
  351    HA   ALA  49           HA       ALA  49   2.832   1.619   3.498
  352    HB1  ALA  49           HB1      ALA  49   2.114   3.860   2.802
  353    HB2  ALA  49           HB2      ALA  49   3.706   3.908   3.557
  354    HB3  ALA  49           HB3      ALA  49   2.286   4.433   4.461
  355    H    ALA  50           HN       ALA  50   1.769   3.061   6.549
  356    HA   ALA  50           HA       ALA  50   4.114   3.023   8.006
  357    HB1  ALA  50           HB1      ALA  50   2.723   3.005   9.987
  358    HB2  ALA  50           HB2      ALA  50   1.340   2.471   9.031
  359    HB3  ALA  50           HB3      ALA  50   2.038   4.069   8.757
  360    H    ARG  51           HN       ARG  51   1.755   0.423   7.576
  361    HA   ARG  51           HA       ARG  51   2.838  -1.462   9.384
  362    HB2  ARG  51           HB2      ARG  51   1.537  -2.127   6.727
  363    HB3  ARG  51           HB1      ARG  51   1.699  -3.189   8.104
  364    HG2  ARG  51           HG2      ARG  51  -0.081  -0.767   7.880
  365    HG3  ARG  51           HG1      ARG  51  -0.583  -2.452   7.835
  366    HD2  ARG  51           HD2      ARG  51  -1.046  -2.044  10.010
  367    HD3  ARG  51           HD1      ARG  51   0.663  -2.423  10.205
  368    HE   ARG  51           HE       ARG  51   0.026   0.356   9.728
  369   HH11  ARG  51          HH11      ARG  51   0.724  -2.128  12.189
  370   HH12  ARG  51          HH12      ARG  51   1.053  -0.976  13.413
  371   HH21  ARG  51          HH21      ARG  51   0.283   1.871  11.466
  372   HH22  ARG  51          HH22      ARG  51   0.739   1.345  13.014
  373    H    LEU  52           HN       LEU  52   3.184  -1.195   5.932
  374    HA   LEU  52           HA       LEU  52   5.241  -3.095   5.701
  375    HB2  LEU  52           HB2      LEU  52   4.284  -1.024   3.755
  376    HB3  LEU  52           HB1      LEU  52   5.532  -2.197   3.365
  377    HG   LEU  52           HG       LEU  52   2.729  -2.912   4.234
  378   HD11  LEU  52          HD11      LEU  52   2.720  -1.882   2.027
  379   HD12  LEU  52          HD12      LEU  52   2.369  -3.610   1.940
  380   HD13  LEU  52          HD13      LEU  52   3.965  -3.011   1.493
  381   HD21  LEU  52          HD21      LEU  52   3.366  -5.164   3.511
  382   HD22  LEU  52          HD22      LEU  52   4.343  -4.585   4.856
  383   HD23  LEU  52          HD23      LEU  52   5.012  -4.594   3.228
  384    H    GLU  53           HN       GLU  53   5.528   0.389   6.259
  385    HA   GLU  53           HA       GLU  53   8.238   0.642   5.620
  386    HB2  GLU  53           HB2      GLU  53   6.692   2.041   7.804
  387    HB3  GLU  53           HB1      GLU  53   8.347   2.426   7.397
  388    HG2  GLU  53           HG2      GLU  53   7.543   2.991   5.093
  389    HG3  GLU  53           HG1      GLU  53   5.895   2.806   5.710
  390    H    SER  54           HN       SER  54   6.787  -0.167   8.762
  391    HA   SER  54           HA       SER  54   9.225  -0.607  10.108
  392    HB2  SER  54           HB2      SER  54   6.510  -1.808  10.695
  393    HB3  SER  54           HB1      SER  54   7.851  -1.646  11.826
  394    HG   SER  54           HG       SER  54   7.322   0.794  10.819
  395    H    ARG  55           HN       ARG  55   7.385  -2.536   7.947
  396    HA   ARG  55           HA       ARG  55   8.371  -5.070   8.826
  397    HB2  ARG  55           HB2      ARG  55   6.155  -4.733   7.791
  398    HB3  ARG  55           HB1      ARG  55   6.950  -4.361   6.275
  399    HG2  ARG  55           HG2      ARG  55   7.806  -6.594   6.112
  400    HG3  ARG  55           HG1      ARG  55   7.194  -6.991   7.723
  401    HD2  ARG  55           HD2      ARG  55   5.563  -6.270   5.292
  402    HD3  ARG  55           HD1      ARG  55   5.661  -7.852   6.073
  403    HE   ARG  55           HE       ARG  55   4.907  -6.073   8.024
  404   HH11  ARG  55          HH11      ARG  55   3.452  -7.186   4.945
  405   HH12  ARG  55          HH12      ARG  55   1.874  -6.977   5.532
  406   HH21  ARG  55          HH21      ARG  55   2.799  -5.732   8.717
  407   HH22  ARG  55          HH22      ARG  55   1.474  -6.182   7.766
  408    H    TYR  56           HN       TYR  56   9.134  -2.902   6.109
  409    HA   TYR  56           HA       TYR  56  11.317  -4.758   5.509
  410    HB2  TYR  56           HB2      TYR  56   9.677  -3.125   3.622
  411    HB3  TYR  56           HB1      TYR  56  11.263  -3.742   3.159
  412    HD1  TYR  56           HD1      TYR  56   7.860  -4.708   4.162
  413    HD2  TYR  56           HD2      TYR  56  11.616  -6.047   2.717
  414    HE1  TYR  56           HE1      TYR  56   6.889  -6.909   3.689
  415    HE2  TYR  56           HE2      TYR  56  10.658  -8.251   2.234
  416    HH   TYR  56           HH       TYR  56   7.227  -8.813   2.494
  417    H    GLY  57           HN       GLY  57  10.922  -1.728   6.782
  418    HA2  GLY  57           HA2      GLY  57  12.616  -0.344   7.491
  419    HA3  GLY  57           HA1      GLY  57  13.767  -1.334   6.607
  420    H    VAL  58           HN       VAL  58  10.913   0.383   5.500
  421    HA   VAL  58           HA       VAL  58  12.640   1.894   3.682
  422    HB   VAL  58           HB       VAL  58  10.698   2.154   2.148
  423   HG11  VAL  58          HG11      VAL  58  12.269   0.333   1.762
  424   HG12  VAL  58          HG12      VAL  58  10.628  -0.146   1.313
  425   HG13  VAL  58          HG13      VAL  58  11.325  -0.709   2.829
  426   HG21  VAL  58          HG21      VAL  58   9.311   0.241   4.023
  427   HG22  VAL  58          HG22      VAL  58   8.702   0.762   2.453
  428   HG23  VAL  58          HG23      VAL  58   8.878   1.935   3.766
  429    H    SER  59           HN       SER  59  11.390   4.051   2.940
  430    HA   SER  59           HA       SER  59  10.168   5.223   5.309
  431    HB2  SER  59           HB2      SER  59  12.563   5.859   5.312
  432    HB3  SER  59           HB1      SER  59  12.412   6.448   3.660
  433    HG   SER  59           HG       SER  59  11.933   7.770   5.939
  434    H    ILE  60           HN       ILE  60   8.221   5.644   4.629
  435    HA   ILE  60           HA       ILE  60   7.866   6.946   2.012
  436    HB   ILE  60           HB       ILE  60   5.954   4.982   3.325
  437   HG12  ILE  60          HG12      ILE  60   7.608   4.659   0.807
  438   HG13  ILE  60          HG11      ILE  60   7.978   3.915   2.358
  439   HG21  ILE  60          HG21      ILE  60   5.782   6.409   0.663
  440   HG22  ILE  60          HG22      ILE  60   4.788   6.732   2.081
  441   HG23  ILE  60          HG23      ILE  60   4.653   5.183   1.245
  442   HD11  ILE  60          HD11      ILE  60   5.886   2.664   2.238
  443   HD12  ILE  60          HD12      ILE  60   6.944   2.348   0.863
  444   HD13  ILE  60          HD13      ILE  60   5.543   3.407   0.671
  445    HA   PRO  61           HA       PRO  61   6.383  10.010   5.041
  446    HB2  PRO  61           HB2      PRO  61   6.071  11.482   2.469
  447    HB3  PRO  61           HB1      PRO  61   6.828  12.011   3.975
  448    HG2  PRO  61           HG2      PRO  61   8.323  11.354   1.884
  449    HG3  PRO  61           HG1      PRO  61   8.814  10.893   3.525
  450    HD2  PRO  61           HD2      PRO  61   7.572   9.224   1.377
  451    HD3  PRO  61           HD1      PRO  61   8.850   8.803   2.537
  452    H    ASP  62           HN       ASP  62   4.347  10.713   5.489
  453    HA   ASP  62           HA       ASP  62   2.220   9.075   4.777
  454    HB2  ASP  62           HB2      ASP  62   2.139  11.834   5.999
  455    HB3  ASP  62           HB1      ASP  62   0.720  10.820   5.814
  456    H    ASP  63           HN       ASP  63   3.062  12.201   3.448
  457    HA   ASP  63           HA       ASP  63   0.724  12.704   1.957
  458    HB2  ASP  63           HB2      ASP  63   2.443  14.413   2.332
  459    HB3  ASP  63           HB1      ASP  63   3.545  13.540   1.273
  460    H    VAL  64           HN       VAL  64   3.392  10.607   1.300
  461    HA   VAL  64           HA       VAL  64   3.026  10.450  -1.513
  462    HB   VAL  64           HB       VAL  64   4.415   8.538   0.346
  463   HG11  VAL  64          HG11      VAL  64   5.755   7.910  -1.662
  464   HG12  VAL  64          HG12      VAL  64   4.764   8.995  -2.635
  465   HG13  VAL  64          HG13      VAL  64   4.038   7.573  -1.887
  466   HG21  VAL  64          HG21      VAL  64   5.330  10.754   0.611
  467   HG22  VAL  64          HG22      VAL  64   5.528  10.918  -1.135
  468   HG23  VAL  64          HG23      VAL  64   6.493   9.741  -0.243
  469    H    ALA  65           HN       ALA  65   1.492   8.970   1.178
  470    HA   ALA  65           HA       ALA  65   0.430   6.749  -0.316
  471    HB1  ALA  65           HB1      ALA  65  -0.958   6.351   1.660
  472    HB2  ALA  65           HB2      ALA  65  -0.446   7.899   2.329
  473    HB3  ALA  65           HB3      ALA  65   0.727   6.597   2.119
  474    H    GLY  66           HN       GLY  66  -0.461   9.989   0.490
  475    HA2  GLY  66           HA2      GLY  66  -3.074   9.783  -0.793
  476    HA3  GLY  66           HA1      GLY  66  -2.386  11.234  -0.051
  477    H    ARG  67           HN       ARG  67  -1.605   8.970  -2.559
  478    HA   ARG  67           HA       ARG  67  -1.177  10.926  -4.617
  479    HB2  ARG  67           HB2      ARG  67   0.765  11.432  -3.298
  480    HB3  ARG  67           HB1      ARG  67   1.140   9.729  -3.139
  481    HG2  ARG  67           HG2      ARG  67   1.704   9.633  -5.506
  482    HG3  ARG  67           HG1      ARG  67   1.338  11.362  -5.649
  483    HD2  ARG  67           HD2      ARG  67   3.056  11.956  -4.164
  484    HD3  ARG  67           HD1      ARG  67   3.274  10.294  -3.634
  485    HE   ARG  67           HE       ARG  67   3.768  10.523  -6.390
  486   HH11  ARG  67          HH11      ARG  67   5.193  11.726  -3.388
  487   HH12  ARG  67          HH12      ARG  67   6.799  11.328  -3.789
  488   HH21  ARG  67          HH21      ARG  67   5.989   9.995  -6.999
  489   HH22  ARG  67          HH22      ARG  67   7.270  10.336  -5.942
  490    H    VAL  68           HN       VAL  68  -0.679   7.661  -3.323
  491    HA   VAL  68           HA       VAL  68  -0.015   6.512  -5.792
  492    HB   VAL  68           HB       VAL  68  -0.488   4.319  -4.699
  493   HG11  VAL  68          HG11      VAL  68   1.687   5.354  -4.524
  494   HG12  VAL  68          HG12      VAL  68   1.290   4.502  -3.029
  495   HG13  VAL  68          HG13      VAL  68   1.161   6.261  -3.104
  496   HG21  VAL  68          HG21      VAL  68  -1.230   6.008  -2.300
  497   HG22  VAL  68          HG22      VAL  68  -1.026   4.255  -2.301
  498   HG23  VAL  68          HG23      VAL  68  -2.337   4.993  -3.225
  499    H    ASP  69           HN       ASP  69  -1.161   6.444  -7.448
  500    HA   ASP  69           HA       ASP  69  -3.910   6.933  -7.680
  501    HB2  ASP  69           HB2      ASP  69  -2.232   7.248  -9.506
  502    HB3  ASP  69           HB1      ASP  69  -2.110   5.508  -9.655
  503    H    THR  70           HN       THR  70  -2.137   3.901  -7.554
  504    HA   THR  70           HA       THR  70  -4.664   2.471  -7.221
  505    HB   THR  70           HB       THR  70  -3.800   0.683  -8.712
  506    HG1  THR  70           HG1      THR  70  -1.943   2.317  -9.973
  507   HG21  THR  70          HG21      THR  70  -5.353   2.354  -9.627
  508   HG22  THR  70          HG22      THR  70  -4.193   1.847 -10.864
  509   HG23  THR  70          HG23      THR  70  -3.990   3.395 -10.031
  510    HA   PRO  71           HA       PRO  71  -2.245   0.123  -4.214
  511    HB2  PRO  71           HB2      PRO  71  -3.153  -2.369  -5.574
  512    HB3  PRO  71           HB1      PRO  71  -3.303  -1.907  -3.873
  513    HG2  PRO  71           HG2      PRO  71  -5.431  -1.851  -5.441
  514    HG3  PRO  71           HG1      PRO  71  -5.149  -0.545  -4.271
  515    HD2  PRO  71           HD2      PRO  71  -4.645  -0.584  -7.223
  516    HD3  PRO  71           HD1      PRO  71  -5.371   0.698  -6.227
  517    H    ARG  72           HN       ARG  72  -2.122  -0.628  -7.617
  518    HA   ARG  72           HA       ARG  72   0.304  -2.095  -7.637
  519    HB2  ARG  72           HB2      ARG  72  -1.246  -2.076  -9.568
  520    HB3  ARG  72           HB1      ARG  72  -0.903  -0.372  -9.820
  521    HG2  ARG  72           HG2      ARG  72   1.440  -0.909 -10.277
  522    HG3  ARG  72           HG1      ARG  72   1.091  -2.617 -10.037
  523    HD2  ARG  72           HD2      ARG  72  -0.077  -0.830 -12.166
  524    HD3  ARG  72           HD1      ARG  72   1.156  -2.067 -12.404
  525    HE   ARG  72           HE       ARG  72  -1.687  -2.442 -11.957
  526   HH11  ARG  72          HH11      ARG  72   1.507  -4.001 -12.276
  527   HH12  ARG  72          HH12      ARG  72   0.875  -5.527 -12.668
  528   HH21  ARG  72          HH21      ARG  72  -2.533  -4.560 -12.558
  529   HH22  ARG  72          HH22      ARG  72  -1.452  -5.829 -12.907
  530    H    GLU  73           HN       GLU  73  -0.501   1.315  -7.998
  531    HA   GLU  73           HA       GLU  73   2.037   2.399  -8.446
  532    HB2  GLU  73           HB2      GLU  73  -0.210   3.563  -8.542
  533    HB3  GLU  73           HB1      GLU  73  -0.176   3.624  -6.790
  534    HG2  GLU  73           HG2      GLU  73   0.511   5.745  -7.608
  535    HG3  GLU  73           HG1      GLU  73   1.930   4.934  -6.956
  536    H    LEU  74           HN       LEU  74   0.291   1.730  -5.466
  537    HA   LEU  74           HA       LEU  74   2.226   2.676  -3.640
  538    HB2  LEU  74           HB2      LEU  74  -0.258   2.225  -3.212
  539    HB3  LEU  74           HB1      LEU  74   0.127   0.531  -3.177
  540    HG   LEU  74           HG       LEU  74  -0.250   1.552  -0.938
  541   HD11  LEU  74          HD11      LEU  74   1.643   0.567   0.211
  542   HD12  LEU  74          HD12      LEU  74   2.506   0.441  -1.322
  543   HD13  LEU  74          HD13      LEU  74   1.022  -0.480  -1.065
  544   HD21  LEU  74          HD21      LEU  74   2.318   3.022  -1.487
  545   HD22  LEU  74          HD22      LEU  74   1.479   2.959   0.063
  546   HD23  LEU  74          HD23      LEU  74   0.716   3.737  -1.324
  547    H    LEU  75           HN       LEU  75   1.577  -0.546  -4.963
  548    HA   LEU  75           HA       LEU  75   3.529  -2.009  -3.584
  549    HB2  LEU  75           HB2      LEU  75   1.676  -2.985  -4.906
  550    HB3  LEU  75           HB1      LEU  75   2.443  -2.425  -6.375
  551    HG   LEU  75           HG       LEU  75   4.355  -3.938  -5.915
  552   HD11  LEU  75          HD11      LEU  75   4.138  -4.069  -3.503
  553   HD12  LEU  75          HD12      LEU  75   4.097  -5.676  -4.227
  554   HD13  LEU  75          HD13      LEU  75   2.602  -4.919  -3.676
  555   HD21  LEU  75          HD21      LEU  75   2.543  -4.636  -7.388
  556   HD22  LEU  75          HD22      LEU  75   1.648  -5.264  -6.004
  557   HD23  LEU  75          HD23      LEU  75   3.179  -6.005  -6.475
  558    H    ASP  76           HN       ASP  76   3.599  -0.450  -6.742
  559    HA   ASP  76           HA       ASP  76   6.204  -1.021  -7.569
  560    HB2  ASP  76           HB2      ASP  76   4.454  -0.107  -9.034
  561    HB3  ASP  76           HB1      ASP  76   4.496   1.411  -8.150
  562    H    LEU  77           HN       LEU  77   4.929   1.738  -5.792
  563    HA   LEU  77           HA       LEU  77   7.164   3.305  -5.426
  564    HB2  LEU  77           HB2      LEU  77   4.964   3.999  -4.761
  565    HB3  LEU  77           HB1      LEU  77   4.863   2.712  -3.581
  566    HG   LEU  77           HG       LEU  77   6.734   3.824  -2.340
  567   HD11  LEU  77          HD11      LEU  77   7.672   5.139  -4.137
  568   HD12  LEU  77          HD12      LEU  77   7.182   6.174  -2.795
  569   HD13  LEU  77          HD13      LEU  77   6.187   6.083  -4.250
  570   HD21  LEU  77          HD21      LEU  77   4.420   4.016  -1.649
  571   HD22  LEU  77          HD22      LEU  77   4.191   5.387  -2.734
  572   HD23  LEU  77          HD23      LEU  77   5.283   5.525  -1.357
  573    H    ILE  78           HN       ILE  78   5.965   0.747  -3.260
  574    HA   ILE  78           HA       ILE  78   8.196   0.944  -1.520
  575    HB   ILE  78           HB       ILE  78   6.341  -1.444  -1.764
  576   HG12  ILE  78          HG12      ILE  78   6.113   1.056  -0.081
  577   HG13  ILE  78          HG11      ILE  78   5.078   0.623  -1.432
  578   HG21  ILE  78          HG21      ILE  78   6.985  -1.794   0.602
  579   HG22  ILE  78          HG22      ILE  78   8.083  -0.418   0.495
  580   HG23  ILE  78          HG23      ILE  78   8.386  -1.865  -0.469
  581   HD11  ILE  78          HD11      ILE  78   3.996   0.189   0.694
  582   HD12  ILE  78          HD12      ILE  78   5.315  -0.893   1.148
  583   HD13  ILE  78          HD13      ILE  78   4.266  -1.303  -0.205
  584    H    ASN  79           HN       ASN  79   7.470  -1.121  -4.271
  585    HA   ASN  79           HA       ASN  79   9.719  -2.806  -3.947
  586    HB2  ASN  79           HB2      ASN  79   8.026  -2.170  -6.353
  587    HB3  ASN  79           HB1      ASN  79   9.489  -3.126  -6.524
  588   HD21  ASN  79          HD21      ASN  79   7.363  -3.293  -3.713
  589   HD22  ASN  79          HD22      ASN  79   6.806  -4.903  -4.021
  590    H    GLY  80           HN       GLY  80   9.363   0.336  -5.371
  591    HA2  GLY  80           HA2      GLY  80  11.956   0.462  -6.512
  592    HA3  GLY  80           HA1      GLY  80  10.933   1.835  -6.098
  593    H    ALA  81           HN       ALA  81  10.599   1.532  -3.439
  594    HA   ALA  81           HA       ALA  81  12.948   2.583  -2.323
  595    HB1  ALA  81           HB1      ALA  81  10.583   1.368  -0.892
  596    HB2  ALA  81           HB2      ALA  81  10.702   3.038  -1.443
  597    HB3  ALA  81           HB3      ALA  81  11.782   2.446  -0.182
  598    H    LEU  82           HN       LEU  82  11.710  -0.666  -2.444
  599    HA   LEU  82           HA       LEU  82  13.652  -1.776  -0.682
  600    HB2  LEU  82           HB2      LEU  82  11.774  -3.019  -2.668
  601    HB3  LEU  82           HB1      LEU  82  12.850  -3.960  -1.653
  602    HG   LEU  82           HG       LEU  82  10.733  -2.089  -0.599
  603   HD11  LEU  82          HD11      LEU  82   9.493  -4.118  -0.036
  604   HD12  LEU  82          HD12      LEU  82  10.718  -5.093  -0.849
  605   HD13  LEU  82          HD13      LEU  82   9.723  -3.973  -1.779
  606   HD21  LEU  82          HD21      LEU  82  12.453  -4.166   0.740
  607   HD22  LEU  82          HD22      LEU  82  11.187  -3.211   1.515
  608   HD23  LEU  82          HD23      LEU  82  12.633  -2.419   0.886
  609    H    ALA  83           HN       ALA  83  13.451  -1.204  -4.115
  610    HA   ALA  83           HA       ALA  83  15.641  -2.854  -4.880
  611    HB1  ALA  83           HB1      ALA  83  15.534  -1.669  -7.019
  612    HB2  ALA  83           HB2      ALA  83  14.457  -0.467  -6.306
  613    HB3  ALA  83           HB3      ALA  83  13.919  -2.136  -6.482
  614    H    GLU  84           HN       GLU  84  15.293   0.432  -3.793
  615    HA   GLU  84           HA       GLU  84  18.101   0.999  -4.245
  616    HB2  GLU  84           HB2      GLU  84  17.573   3.237  -3.312
  617    HB3  GLU  84           HB1      GLU  84  16.569   2.810  -4.689
  618    HG2  GLU  84           HG2      GLU  84  14.740   2.251  -3.185
  619    HG3  GLU  84           HG1      GLU  84  15.755   2.650  -1.801
  620    H    ALA  85           HN       ALA  85  16.691  -0.863  -2.135
  621    HA   ALA  85           HA       ALA  85  18.301   0.014   0.159
  622    HB1  ALA  85           HB1      ALA  85  15.912  -0.300   0.642
  623    HB2  ALA  85           HB2      ALA  85  16.895  -1.483   1.506
  624    HB3  ALA  85           HB3      ALA  85  16.010  -1.961   0.058
  625    H    ALA  86           HN       ALA  86  18.732  -1.690  -2.460
  626    HA   ALA  86           HA       ALA  86  20.353  -3.721  -1.122
  627    HB1  ALA  86           HB1      ALA  86  18.361  -4.820  -2.037
  628    HB2  ALA  86           HB2      ALA  86  19.808  -5.300  -2.924
  629    HB3  ALA  86           HB3      ALA  86  18.698  -4.122  -3.622
  630    H28  SXV  87          H28A      SXV  87  -3.958  12.657   1.951
  631   H28A  SXV  87          H28B      SXV  87  -5.015  13.552   0.856
  632    H30  SXV  87          H30C      SXV  87  -3.664  13.423   4.226
  633   H30A  SXV  87          H30A      SXV  87  -5.367  13.759   4.491
  634   H30B  SXV  87          H30B      SXV  87  -4.152  15.028   4.741
  635    H31  SXV  87          H31C      SXV  87  -3.076  16.121   2.791
  636   H31A  SXV  87          H31A      SXV  87  -3.322  15.465   1.170
  637   H31B  SXV  87          H31B      SXV  87  -2.442  14.526   2.378
  638    H32  SXV  87          H32A      SXV  87  -6.706  15.103   2.747
  639   HO33  SXV  87          H33A      SXV  87  -5.774  16.841   1.053
  640   HN36  SXV  87          H36A      SXV  87  -5.950  16.066   4.886
  641    H37  SXV  87          H37B      SXV  87  -6.490  18.723   5.120
  642   H37A  SXV  87          H37A      SXV  87  -4.733  18.638   5.050
  643    H38  SXV  87          H38B      SXV  87  -4.725  17.141   6.970
  644   H38A  SXV  87          H38A      SXV  87  -6.495  17.090   6.938
  645   HN41  SXV  87          H41A      SXV  87  -5.941  17.576   9.183
  646    H42  SXV  87          H42B      SXV  87  -6.461  20.367   9.746
  647   H42A  SXV  87          H42A      SXV  87  -5.028  19.587  10.465
  648    H43  SXV  87          H43B      SXV  87  -6.773  19.287  12.060
  649   H43A  SXV  87          H43A      SXV  87  -7.875  18.756  10.766
  650    H1   SXV  87           H1B      SXV  87  -7.536  17.170  13.368
  651    H1A  SXV  87           H1A      SXV  87  -8.550  16.517  12.069
  652    H2   SXV  87           H2A      SXV  87  -7.416  14.392  12.145
  653    H2A  SXV  87           H2B      SXV  87  -8.171  14.812  13.673
  654    H4   SXV  87           H4C      SXV  87  -5.582  15.200  15.764
  655    H4A  SXV  87           H4A      SXV  87  -6.499  16.494  14.987
  656    H4B  SXV  87           H4B      SXV  87  -4.779  16.291  14.629
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  19.555  -9.314  -5.653
    2    H2   MET   1           HT2      MET   1  20.100  -7.741  -5.457
    3    H3   MET   1           HT3      MET   1  20.016  -8.408  -7.015
    4    HA   MET   1           HA       MET   1  18.232  -6.841  -6.541
    5    HB2  MET   1           HB2      MET   1  16.386  -8.224  -7.317
    6    HB3  MET   1           HB1      MET   1  17.849  -8.781  -8.102
    7    HG2  MET   1           HG2      MET   1  17.969 -10.648  -6.504
    8    HG3  MET   1           HG1      MET   1  16.477 -10.087  -5.758
    9    HE1  MET   1           HE1      MET   1  17.438 -10.175  -9.591
   10    HE2  MET   1           HE2      MET   1  16.775 -11.738 -10.067
   11    HE3  MET   1           HE3      MET   1  18.136 -11.662  -8.950
   12    H    ALA   2           HN       ALA   2  15.802  -7.217  -5.475
   13    HA   ALA   2           HA       ALA   2  16.310  -7.890  -2.663
   14    HB1  ALA   2           HB1      ALA   2  16.358  -5.452  -2.931
   15    HB2  ALA   2           HB2      ALA   2  14.940  -5.960  -2.013
   16    HB3  ALA   2           HB3      ALA   2  14.776  -5.504  -3.710
   17    H    THR   3           HN       THR   3  14.377  -8.517  -1.509
   18    HA   THR   3           HA       THR   3  12.524  -9.994  -3.136
   19    HB   THR   3           HB       THR   3  12.433  -9.339  -0.241
   20    HG1  THR   3           HG1      THR   3  13.894 -11.252  -1.714
   21   HG21  THR   3          HG21      THR   3  11.196 -11.603  -1.812
   22   HG22  THR   3          HG22      THR   3  10.340 -10.238  -1.096
   23   HG23  THR   3          HG23      THR   3  11.113 -11.437  -0.058
   24    H    LEU   4           HN       LEU   4  11.099  -8.776  -4.239
   25    HA   LEU   4           HA       LEU   4  10.140  -6.293  -3.139
   26    HB2  LEU   4           HB2      LEU   4   9.405  -7.696  -5.706
   27    HB3  LEU   4           HB1      LEU   4   9.019  -6.041  -5.278
   28    HG   LEU   4           HG       LEU   4  11.760  -7.150  -5.854
   29   HD11  LEU   4          HD11      LEU   4  10.412  -6.866  -7.834
   30   HD12  LEU   4          HD12      LEU   4  11.687  -5.647  -7.777
   31   HD13  LEU   4          HD13      LEU   4  10.028  -5.209  -7.361
   32   HD21  LEU   4          HD21      LEU   4  10.942  -4.337  -5.115
   33   HD22  LEU   4          HD22      LEU   4  12.553  -4.839  -5.629
   34   HD23  LEU   4          HD23      LEU   4  11.884  -5.442  -4.112
   35    H    LEU   5           HN       LEU   5   8.193  -6.036  -2.259
   36    HA   LEU   5           HA       LEU   5   6.817  -8.352  -1.512
   37    HB2  LEU   5           HB2      LEU   5   5.134  -6.808  -0.477
   38    HB3  LEU   5           HB1      LEU   5   6.771  -6.648   0.089
   39    HG   LEU   5           HG       LEU   5   6.921  -4.583  -1.421
   40   HD11  LEU   5          HD11      LEU   5   4.959  -5.008  -2.798
   41   HD12  LEU   5          HD12      LEU   5   4.824  -3.476  -1.935
   42   HD13  LEU   5          HD13      LEU   5   3.930  -4.888  -1.370
   43   HD21  LEU   5          HD21      LEU   5   5.032  -4.638   0.905
   44   HD22  LEU   5          HD22      LEU   5   5.815  -3.201   0.241
   45   HD23  LEU   5          HD23      LEU   5   6.790  -4.477   0.974
   46    H    THR   6           HN       THR   6   4.988  -9.214  -2.089
   47    HA   THR   6           HA       THR   6   4.246  -8.669  -4.828
   48    HB   THR   6           HB       THR   6   2.992 -10.810  -4.675
   49    HG1  THR   6           HG1      THR   6   4.080 -10.841  -2.033
   50   HG21  THR   6          HG21      THR   6   5.309 -10.795  -5.463
   51   HG22  THR   6          HG22      THR   6   4.973 -12.268  -4.552
   52   HG23  THR   6          HG23      THR   6   5.881 -10.954  -3.804
   53    H    THR   7           HN       THR   7   1.716  -9.549  -5.012
   54    HA   THR   7           HA       THR   7   0.234  -7.349  -4.176
   55    HB   THR   7           HB       THR   7  -0.753 -10.046  -5.154
   56    HG1  THR   7           HG1      THR   7  -0.553  -8.861  -7.252
   57   HG21  THR   7          HG21      THR   7  -1.819  -7.243  -5.489
   58   HG22  THR   7          HG22      THR   7  -2.479  -8.446  -4.374
   59   HG23  THR   7          HG23      THR   7  -2.567  -8.711  -6.119
   60    H    ASP   8           HN       ASP   8   0.717 -10.604  -2.920
   61    HA   ASP   8           HA       ASP   8  -1.340 -10.514  -0.943
   62    HB2  ASP   8           HB2      ASP   8  -0.508 -12.668  -1.602
   63    HB3  ASP   8           HB1      ASP   8   1.128 -12.237  -1.117
   64    H    ASP   9           HN       ASP   9   2.106  -9.817  -0.872
   65    HA   ASP   9           HA       ASP   9   2.335  -9.419   1.916
   66    HB2  ASP   9           HB2      ASP   9   3.946  -8.046  -0.258
   67    HB3  ASP   9           HB1      ASP   9   4.372  -8.111   1.441
   68    H    LEU  10           HN       LEU  10   1.691  -7.175  -0.722
   69    HA   LEU  10           HA       LEU  10   1.375  -4.850   0.846
   70    HB2  LEU  10           HB2      LEU  10   1.744  -4.790  -1.573
   71    HB3  LEU  10           HB1      LEU  10   0.206  -5.579  -1.846
   72    HG   LEU  10           HG       LEU  10  -0.944  -3.582  -0.915
   73   HD11  LEU  10          HD11      LEU  10   0.828  -2.745   0.511
   74   HD12  LEU  10          HD12      LEU  10   0.305  -1.508  -0.633
   75   HD13  LEU  10          HD13      LEU  10   1.814  -2.377  -0.905
   76   HD21  LEU  10          HD21      LEU  10  -0.654  -3.829  -3.320
   77   HD22  LEU  10          HD22      LEU  10   0.923  -3.046  -3.222
   78   HD23  LEU  10          HD23      LEU  10  -0.541  -2.134  -2.848
   79    H    ARG  11           HN       ARG  11  -0.905  -7.250  -0.380
   80    HA   ARG  11           HA       ARG  11  -3.331  -6.168   0.407
   81    HB2  ARG  11           HB2      ARG  11  -2.892  -8.205  -1.025
   82    HB3  ARG  11           HB1      ARG  11  -2.620  -9.097   0.458
   83    HG2  ARG  11           HG2      ARG  11  -4.906  -8.636   1.154
   84    HG3  ARG  11           HG1      ARG  11  -5.171  -7.725  -0.335
   85    HD2  ARG  11           HD2      ARG  11  -6.058  -9.880  -0.710
   86    HD3  ARG  11           HD1      ARG  11  -4.530  -9.808  -1.585
   87    HE   ARG  11           HE       ARG  11  -4.323 -10.857   1.065
   88   HH11  ARG  11          HH11      ARG  11  -4.600 -11.679  -2.374
   89   HH12  ARG  11          HH12      ARG  11  -4.526 -13.365  -2.122
   90   HH21  ARG  11          HH21      ARG  11  -4.119 -13.185   1.379
   91   HH22  ARG  11          HH22      ARG  11  -4.270 -14.255   0.068
   92    H    ARG  12           HN       ARG  12  -1.185  -8.364   2.163
   93    HA   ARG  12           HA       ARG  12  -2.659  -8.746   4.486
   94    HB2  ARG  12           HB2      ARG  12   0.332  -8.610   4.137
   95    HB3  ARG  12           HB1      ARG  12  -0.454  -9.118   5.620
   96    HG2  ARG  12           HG2      ARG  12  -1.475 -10.994   4.428
   97    HG3  ARG  12           HG1      ARG  12  -0.667 -10.477   2.943
   98    HD2  ARG  12           HD2      ARG  12   0.545 -12.292   4.088
   99    HD3  ARG  12           HD1      ARG  12   1.502 -10.816   3.965
  100    HE   ARG  12           HE       ARG  12   0.032 -10.991   6.400
  101   HH11  ARG  12          HH11      ARG  12   3.038 -12.029   4.851
  102   HH12  ARG  12          HH12      ARG  12   3.899 -12.284   6.294
  103   HH21  ARG  12          HH21      ARG  12   1.225 -11.235   8.406
  104   HH22  ARG  12          HH22      ARG  12   2.837 -11.783   8.396
  105    H    ALA  13           HN       ALA  13  -0.214  -6.294   3.829
  106    HA   ALA  13           HA       ALA  13  -0.394  -5.045   6.361
  107    HB1  ALA  13           HB1      ALA  13   0.928  -3.288   5.390
  108    HB2  ALA  13           HB2      ALA  13   0.622  -3.922   3.773
  109    HB3  ALA  13           HB3      ALA  13   1.558  -4.868   4.932
  110    H    LEU  14           HN       LEU  14  -2.012  -4.521   3.309
  111    HA   LEU  14           HA       LEU  14  -3.195  -2.035   3.873
  112    HB2  LEU  14           HB2      LEU  14  -3.079  -3.310   1.648
  113    HB3  LEU  14           HB1      LEU  14  -4.434  -4.251   2.228
  114    HG   LEU  14           HG       LEU  14  -5.785  -2.163   2.346
  115   HD11  LEU  14          HD11      LEU  14  -3.380  -0.941   1.000
  116   HD12  LEU  14          HD12      LEU  14  -3.951  -0.579   2.629
  117   HD13  LEU  14          HD13      LEU  14  -4.944  -0.159   1.230
  118   HD21  LEU  14          HD21      LEU  14  -4.527  -2.750  -0.328
  119   HD22  LEU  14          HD22      LEU  14  -6.059  -1.918  -0.067
  120   HD23  LEU  14          HD23      LEU  14  -5.886  -3.613   0.388
  121    H    VAL  15           HN       VAL  15  -4.213  -5.350   4.470
  122    HA   VAL  15           HA       VAL  15  -6.641  -4.776   5.803
  123    HB   VAL  15           HB       VAL  15  -4.795  -7.171   6.162
  124   HG11  VAL  15          HG11      VAL  15  -6.370  -6.962   8.016
  125   HG12  VAL  15          HG12      VAL  15  -6.780  -8.345   7.002
  126   HG13  VAL  15          HG13      VAL  15  -7.714  -6.853   6.877
  127   HG21  VAL  15          HG21      VAL  15  -6.302  -8.316   4.598
  128   HG22  VAL  15          HG22      VAL  15  -5.527  -6.923   3.849
  129   HG23  VAL  15          HG23      VAL  15  -7.206  -6.818   4.377
  130    H    GLU  16           HN       GLU  16  -3.364  -5.499   7.035
  131    HA   GLU  16           HA       GLU  16  -3.803  -5.246   9.782
  132    HB2  GLU  16           HB2      GLU  16  -1.243  -4.446   8.324
  133    HB3  GLU  16           HB1      GLU  16  -1.410  -4.805  10.031
  134    HG2  GLU  16           HG2      GLU  16  -2.040  -7.111   9.495
  135    HG3  GLU  16           HG1      GLU  16  -1.830  -6.755   7.782
  136    H    SER  17           HN       SER  17  -3.507  -2.780   7.418
  137    HA   SER  17           HA       SER  17  -2.937  -0.578   9.073
  138    HB2  SER  17           HB2      SER  17  -2.532  -0.675   6.656
  139    HB3  SER  17           HB1      SER  17  -4.269  -0.717   6.372
  140    HG   SER  17           HG       SER  17  -4.232   1.398   6.506
  141    H    ALA  18           HN       ALA  18  -5.994  -1.801   7.675
  142    HA   ALA  18           HA       ALA  18  -7.457   0.270   9.140
  143    HB1  ALA  18           HB1      ALA  18  -9.361  -0.315   7.757
  144    HB2  ALA  18           HB2      ALA  18  -8.466  -1.667   7.063
  145    HB3  ALA  18           HB3      ALA  18  -7.941  -0.011   6.754
  146    H    GLY  19           HN       GLY  19  -7.058  -3.185   9.029
  147    HA2  GLY  19           HA2      GLY  19  -7.455  -4.570  10.873
  148    HA3  GLY  19           HA1      GLY  19  -8.611  -3.390  11.488
  149    H    GLU  20           HN       GLU  20 -10.492  -3.016   9.985
  150    HA   GLU  20           HA       GLU  20 -11.517  -5.645   9.351
  151    HB2  GLU  20           HB2      GLU  20 -12.917  -3.028   9.828
  152    HB3  GLU  20           HB1      GLU  20 -13.746  -4.379   9.086
  153    HG2  GLU  20           HG2      GLU  20 -14.253  -4.283  11.441
  154    HG3  GLU  20           HG1      GLU  20 -13.327  -5.733  11.087
  155    H    THR  21           HN       THR  21 -10.352  -5.933   7.464
  156    HA   THR  21           HA       THR  21 -11.623  -4.639   5.144
  157    HB   THR  21           HB       THR  21  -9.001  -6.199   5.103
  158    HG1  THR  21           HG1      THR  21  -8.608  -3.537   4.880
  159   HG21  THR  21          HG21      THR  21  -8.612  -4.927   3.027
  160   HG22  THR  21          HG22      THR  21 -10.146  -4.088   3.255
  161   HG23  THR  21          HG23      THR  21 -10.129  -5.823   2.940
  162    H    ASP  22           HN       ASP  22 -13.254  -6.235   6.078
  163    HA   ASP  22           HA       ASP  22 -12.619  -9.047   5.457
  164    HB2  ASP  22           HB2      ASP  22 -13.035  -8.587   7.816
  165    HB3  ASP  22           HB1      ASP  22 -14.612  -7.921   7.418
  166    H    GLY  23           HN       GLY  23 -14.911  -6.477   4.884
  167    HA2  GLY  23           HA2      GLY  23 -16.573  -8.317   3.305
  168    HA3  GLY  23           HA1      GLY  23 -17.123  -6.782   3.994
  169    H    THR  24           HN       THR  24 -14.191  -7.589   2.390
  170    HA   THR  24           HA       THR  24 -14.774  -5.995   0.070
  171    HB   THR  24           HB       THR  24 -12.573  -5.298   2.042
  172    HG1  THR  24           HG1      THR  24 -15.074  -4.494   1.821
  173   HG21  THR  24          HG21      THR  24 -11.794  -5.067  -0.287
  174   HG22  THR  24          HG22      THR  24 -11.996  -3.483   0.465
  175   HG23  THR  24          HG23      THR  24 -13.210  -4.084  -0.663
  176    H    ASP  25           HN       ASP  25 -14.450  -7.792  -1.053
  177    HA   ASP  25           HA       ASP  25 -12.393  -9.695  -0.878
  178    HB2  ASP  25           HB2      ASP  25 -13.757  -8.708  -3.395
  179    HB3  ASP  25           HB1      ASP  25 -12.643 -10.062  -3.357
  180    H    LEU  26           HN       LEU  26 -10.464  -9.003  -0.502
  181    HA   LEU  26           HA       LEU  26  -9.237  -7.012  -2.262
  182    HB2  LEU  26           HB2      LEU  26  -9.345  -6.768   0.277
  183    HB3  LEU  26           HB1      LEU  26  -8.223  -8.106   0.356
  184    HG   LEU  26           HG       LEU  26  -6.579  -6.761  -0.913
  185   HD11  LEU  26          HD11      LEU  26  -8.159  -5.323  -2.088
  186   HD12  LEU  26          HD12      LEU  26  -6.981  -4.370  -1.182
  187   HD13  LEU  26          HD13      LEU  26  -8.618  -4.571  -0.559
  188   HD21  LEU  26          HD21      LEU  26  -7.651  -5.473   1.597
  189   HD22  LEU  26          HD22      LEU  26  -6.035  -5.247   0.929
  190   HD23  LEU  26          HD23      LEU  26  -6.528  -6.831   1.527
  191    H    SER  27           HN       SER  27  -9.353 -10.292  -1.374
  192    HA   SER  27           HA       SER  27  -6.759 -11.084  -2.192
  193    HB2  SER  27           HB2      SER  27  -9.283 -12.725  -1.909
  194    HB3  SER  27           HB1      SER  27  -7.632 -13.349  -1.972
  195    HG   SER  27           HG       SER  27  -8.851 -11.755   0.016
  196    H    GLY  28           HN       GLY  28  -6.107 -10.819  -4.208
  197    HA2  GLY  28           HA2      GLY  28  -6.548 -12.094  -6.385
  198    HA3  GLY  28           HA1      GLY  28  -8.004 -11.098  -6.394
  199    H    ASP  29           HN       ASP  29  -7.618  -9.712  -7.981
  200    HA   ASP  29           HA       ASP  29  -5.073  -8.285  -7.899
  201    HB2  ASP  29           HB2      ASP  29  -6.784  -9.044 -10.224
  202    HB3  ASP  29           HB1      ASP  29  -5.795  -7.593 -10.332
  203    H    PHE  30           HN       PHE  30  -5.789  -6.986  -6.317
  204    HA   PHE  30           HA       PHE  30  -7.899  -5.092  -6.958
  205    HB2  PHE  30           HB2      PHE  30  -7.616  -4.269  -4.678
  206    HB3  PHE  30           HB1      PHE  30  -7.766  -6.017  -4.662
  207    HD1  PHE  30           HD2      PHE  30  -5.664  -7.404  -4.325
  208    HD2  PHE  30           HD1      PHE  30  -5.749  -3.192  -3.752
  209    HE1  PHE  30           HE2      PHE  30  -3.606  -7.543  -2.996
  210    HE2  PHE  30           HE1      PHE  30  -3.687  -3.329  -2.418
  211    HZ   PHE  30           HZ       PHE  30  -2.614  -5.507  -2.041
  212    H    LEU  31           HN       LEU  31  -4.765  -5.445  -7.672
  213    HA   LEU  31           HA       LEU  31  -3.576  -2.961  -7.058
  214    HB2  LEU  31           HB2      LEU  31  -2.917  -4.900  -9.252
  215    HB3  LEU  31           HB1      LEU  31  -1.899  -3.589  -8.712
  216    HG   LEU  31           HG       LEU  31  -2.651  -6.030  -7.109
  217   HD11  LEU  31          HD11      LEU  31  -0.293  -6.601  -7.383
  218   HD12  LEU  31          HD12      LEU  31  -0.073  -5.182  -8.408
  219   HD13  LEU  31          HD13      LEU  31  -1.127  -6.494  -8.933
  220   HD21  LEU  31          HD21      LEU  31  -0.783  -3.750  -6.439
  221   HD22  LEU  31          HD22      LEU  31  -1.013  -5.215  -5.484
  222   HD23  LEU  31          HD23      LEU  31  -2.339  -4.065  -5.673
  223    H    ASP  32           HN       ASP  32  -5.782  -3.886  -9.467
  224    HA   ASP  32           HA       ASP  32  -5.057  -1.727 -11.309
  225    HB2  ASP  32           HB2      ASP  32  -6.731  -4.209 -11.619
  226    HB3  ASP  32           HB1      ASP  32  -6.673  -2.938 -12.832
  227    H    LEU  33           HN       LEU  33  -6.744  -1.513  -8.715
  228    HA   LEU  33           HA       LEU  33  -8.918  -0.088 -10.036
  229    HB2  LEU  33           HB2      LEU  33 -10.424  -0.677  -8.110
  230    HB3  LEU  33           HB1      LEU  33 -10.042  -1.986  -9.195
  231    HG   LEU  33           HG       LEU  33  -8.366  -2.777  -7.451
  232   HD11  LEU  33          HD11      LEU  33  -9.828  -0.839  -5.684
  233   HD12  LEU  33          HD12      LEU  33  -8.129  -0.755  -6.148
  234   HD13  LEU  33          HD13      LEU  33  -8.707  -2.088  -5.145
  235   HD21  LEU  33          HD21      LEU  33 -10.492  -3.878  -7.785
  236   HD22  LEU  33          HD22      LEU  33 -11.281  -2.723  -6.714
  237   HD23  LEU  33          HD23      LEU  33 -10.079  -3.842  -6.070
  238    H    ARG  34           HN       ARG  34  -9.812   1.701  -8.857
  239    HA   ARG  34           HA       ARG  34  -7.883   3.239  -7.414
  240    HB2  ARG  34           HB2      ARG  34 -10.854   3.525  -7.892
  241    HB3  ARG  34           HB1      ARG  34  -9.950   4.667  -6.914
  242    HG2  ARG  34           HG2      ARG  34  -9.178   4.062  -9.747
  243    HG3  ARG  34           HG1      ARG  34 -10.412   5.260  -9.346
  244    HD2  ARG  34           HD2      ARG  34  -7.584   5.276  -8.299
  245    HD3  ARG  34           HD1      ARG  34  -8.162   6.245  -9.652
  246    HE   ARG  34           HE       ARG  34  -9.796   6.667  -7.399
  247   HH11  ARG  34          HH11      ARG  34  -6.632   7.626  -8.710
  248   HH12  ARG  34          HH12      ARG  34  -6.452   8.980  -7.712
  249   HH21  ARG  34          HH21      ARG  34  -9.558   8.585  -6.042
  250   HH22  ARG  34          HH22      ARG  34  -8.192   9.593  -6.209
  251    H    PHE  35           HN       PHE  35  -7.919   3.675  -5.171
  252    HA   PHE  35           HA       PHE  35  -8.642   1.507  -3.519
  253    HB2  PHE  35           HB2      PHE  35  -7.863   4.323  -2.780
  254    HB3  PHE  35           HB1      PHE  35  -8.038   3.002  -1.624
  255    HD1  PHE  35           HD2      PHE  35  -6.561   0.984  -1.877
  256    HD2  PHE  35           HD1      PHE  35  -5.910   4.612  -3.994
  257    HE1  PHE  35           HE2      PHE  35  -4.251   0.299  -2.332
  258    HE2  PHE  35           HE1      PHE  35  -3.595   3.932  -4.451
  259    HZ   PHE  35           HZ       PHE  35  -2.744   1.788  -3.533
  260    H    GLU  36           HN       GLU  36 -10.314   4.289  -4.491
  261    HA   GLU  36           HA       GLU  36 -12.405   4.472  -2.670
  262    HB2  GLU  36           HB2      GLU  36 -11.850   5.965  -4.610
  263    HB3  GLU  36           HB1      GLU  36 -12.574   4.762  -5.660
  264    HG2  GLU  36           HG2      GLU  36 -14.721   5.102  -4.566
  265    HG3  GLU  36           HG1      GLU  36 -13.985   6.299  -3.494
  266    H    ASP  37           HN       ASP  37 -11.811   2.196  -5.294
  267    HA   ASP  37           HA       ASP  37 -14.358   0.956  -5.417
  268    HB2  ASP  37           HB2      ASP  37 -11.612   0.170  -6.331
  269    HB3  ASP  37           HB1      ASP  37 -12.906  -1.014  -6.350
  270    H    ILE  38           HN       ILE  38 -11.741   0.664  -3.214
  271    HA   ILE  38           HA       ILE  38 -13.058  -1.680  -2.060
  272    HB   ILE  38           HB       ILE  38 -10.899  -2.231  -0.919
  273   HG12  ILE  38          HG12      ILE  38  -9.760  -0.149  -2.814
  274   HG13  ILE  38          HG11      ILE  38  -9.851   0.002  -1.066
  275   HG21  ILE  38          HG21      ILE  38  -9.862  -3.212  -2.923
  276   HG22  ILE  38          HG22      ILE  38 -10.902  -2.177  -3.917
  277   HG23  ILE  38          HG23      ILE  38 -11.620  -3.414  -2.886
  278   HD11  ILE  38          HD11      ILE  38  -8.217  -2.024  -2.584
  279   HD12  ILE  38          HD12      ILE  38  -8.296  -1.870  -0.830
  280   HD13  ILE  38          HD13      ILE  38  -7.607  -0.567  -1.796
  281    H    GLY  39           HN       GLY  39 -13.383   1.246  -1.737
  282    HA2  GLY  39           HA2      GLY  39 -14.206   2.610  -0.061
  283    HA3  GLY  39           HA1      GLY  39 -14.269   1.177   0.946
  284    H    TYR  40           HN       TYR  40 -11.298   2.416  -0.435
  285    HA   TYR  40           HA       TYR  40 -10.382   2.994   2.285
  286    HB2  TYR  40           HB2      TYR  40  -9.000   2.056  -0.175
  287    HB3  TYR  40           HB1      TYR  40  -8.094   3.068   0.940
  288    HD1  TYR  40           HD2      TYR  40 -10.336   0.059   1.083
  289    HD2  TYR  40           HD1      TYR  40  -6.838   2.006   2.489
  290    HE1  TYR  40           HE2      TYR  40  -9.805  -1.910   2.453
  291    HE2  TYR  40           HE1      TYR  40  -6.277   0.094   3.854
  292    HH   TYR  40           HH       TYR  40  -7.168  -1.894   4.761
  293    H    ASP  41           HN       ASP  41  -8.928   4.788   2.564
  294    HA   ASP  41           HA       ASP  41  -9.137   6.894   0.596
  295    HB2  ASP  41           HB2      ASP  41  -9.714   8.595   2.269
  296    HB3  ASP  41           HB1      ASP  41 -10.966   7.370   2.190
  297    H    SER  42           HN       SER  42  -7.819   8.866   2.071
  298    HA   SER  42           HA       SER  42  -5.213   8.192   1.290
  299    HB2  SER  42           HB2      SER  42  -4.741  10.444   2.264
  300    HB3  SER  42           HB1      SER  42  -6.094  10.422   1.115
  301    H    LEU  43           HN       LEU  43  -6.642   8.841   4.419
  302    HA   LEU  43           HA       LEU  43  -4.316   8.523   5.962
  303    HB2  LEU  43           HB2      LEU  43  -7.218   8.336   6.703
  304    HB3  LEU  43           HB1      LEU  43  -5.906   8.421   7.851
  305    HG   LEU  43           HG       LEU  43  -6.641  10.571   5.859
  306   HD11  LEU  43          HD11      LEU  43  -7.357  11.839   7.823
  307   HD12  LEU  43          HD12      LEU  43  -7.025  10.439   8.843
  308   HD13  LEU  43          HD13      LEU  43  -8.295  10.359   7.622
  309   HD21  LEU  43          HD21      LEU  43  -4.248  10.554   6.339
  310   HD22  LEU  43          HD22      LEU  43  -4.583  10.567   8.070
  311   HD23  LEU  43          HD23      LEU  43  -5.023  11.956   7.074
  312    H    ALA  44           HN       ALA  44  -6.786   6.308   4.941
  313    HA   ALA  44           HA       ALA  44  -6.001   4.134   6.599
  314    HB1  ALA  44           HB1      ALA  44  -7.497   4.080   3.972
  315    HB2  ALA  44           HB2      ALA  44  -8.229   4.254   5.567
  316    HB3  ALA  44           HB3      ALA  44  -7.399   2.759   5.137
  317    H    LEU  45           HN       LEU  45  -5.021   5.311   3.490
  318    HA   LEU  45           HA       LEU  45  -3.429   3.060   2.756
  319    HB2  LEU  45           HB2      LEU  45  -3.481   5.898   1.758
  320    HB3  LEU  45           HB1      LEU  45  -2.535   4.616   1.029
  321    HG   LEU  45           HG       LEU  45  -5.532   4.580   1.268
  322   HD11  LEU  45          HD11      LEU  45  -5.513   5.058  -1.130
  323   HD12  LEU  45          HD12      LEU  45  -3.757   5.225  -1.088
  324   HD13  LEU  45          HD13      LEU  45  -4.775   6.374  -0.216
  325   HD21  LEU  45          HD21      LEU  45  -4.465   2.397   1.196
  326   HD22  LEU  45          HD22      LEU  45  -3.576   2.902  -0.247
  327   HD23  LEU  45          HD23      LEU  45  -5.333   2.744  -0.307
  328    H    MET  46           HN       MET  46  -2.855   6.185   4.224
  329    HA   MET  46           HA       MET  46  -0.050   6.203   4.197
  330    HB2  MET  46           HB2      MET  46  -1.965   7.525   6.129
  331    HB3  MET  46           HB1      MET  46  -0.239   7.845   6.086
  332    HG2  MET  46           HG2      MET  46  -0.397   8.724   3.862
  333    HG3  MET  46           HG1      MET  46  -2.101   8.268   3.764
  334    HE1  MET  46           HE1      MET  46  -2.743  10.701   2.970
  335    HE2  MET  46           HE2      MET  46  -1.041  11.157   3.022
  336    HE3  MET  46           HE3      MET  46  -2.249  12.173   3.807
  337    H    GLU  47           HN       GLU  47  -2.304   4.828   6.476
  338    HA   GLU  47           HA       GLU  47  -0.287   4.119   8.347
  339    HB2  GLU  47           HB2      GLU  47  -2.728   4.511   8.848
  340    HB3  GLU  47           HB1      GLU  47  -3.063   2.953   8.111
  341    HG2  GLU  47           HG2      GLU  47  -2.976   2.825  10.547
  342    HG3  GLU  47           HG1      GLU  47  -1.719   1.845   9.794
  343    H    THR  48           HN       THR  48  -1.593   2.651   5.489
  344    HA   THR  48           HA       THR  48  -0.715  -0.034   5.901
  345    HB   THR  48           HB       THR  48  -1.047   1.493   3.295
  346    HG1  THR  48           HG1      THR  48  -2.829   0.954   5.108
  347   HG21  THR  48          HG21      THR  48  -1.186  -1.473   3.886
  348   HG22  THR  48          HG22      THR  48   0.133  -0.656   3.046
  349   HG23  THR  48          HG23      THR  48  -1.473  -0.724   2.318
  350    H    ALA  49           HN       ALA  49   0.590   2.819   4.328
  351    HA   ALA  49           HA       ALA  49   3.051   1.808   3.517
  352    HB1  ALA  49           HB1      ALA  49   2.183   3.977   2.779
  353    HB2  ALA  49           HB2      ALA  49   3.793   4.147   3.485
  354    HB3  ALA  49           HB3      ALA  49   2.369   4.612   4.414
  355    H    ALA  50           HN       ALA  50   2.119   3.471   6.513
  356    HA   ALA  50           HA       ALA  50   4.536   3.429   7.865
  357    HB1  ALA  50           HB1      ALA  50   1.778   3.163   9.047
  358    HB2  ALA  50           HB2      ALA  50   2.566   4.678   8.593
  359    HB3  ALA  50           HB3      ALA  50   3.232   3.691   9.898
  360    H    ARG  51           HN       ARG  51   2.023   0.970   7.800
  361    HA   ARG  51           HA       ARG  51   3.135  -0.859   9.591
  362    HB2  ARG  51           HB2      ARG  51   0.837  -1.044   8.809
  363    HB3  ARG  51           HB1      ARG  51   1.381  -1.304   7.162
  364    HG2  ARG  51           HG2      ARG  51   0.612  -3.355   8.241
  365    HG3  ARG  51           HG1      ARG  51   2.311  -3.445   7.777
  366    HD2  ARG  51           HD2      ARG  51   2.951  -2.894  10.056
  367    HD3  ARG  51           HD1      ARG  51   1.256  -2.839  10.528
  368    HE   ARG  51           HE       ARG  51   1.529  -5.294   9.416
  369   HH11  ARG  51          HH11      ARG  51   3.382  -3.640  11.962
  370   HH12  ARG  51          HH12      ARG  51   3.622  -5.039  12.887
  371   HH21  ARG  51          HH21      ARG  51   1.819  -7.185  10.690
  372   HH22  ARG  51          HH22      ARG  51   2.721  -7.147  12.145
  373    H    LEU  52           HN       LEU  52   3.316  -0.872   6.063
  374    HA   LEU  52           HA       LEU  52   5.243  -2.903   5.921
  375    HB2  LEU  52           HB2      LEU  52   4.413  -0.843   3.909
  376    HB3  LEU  52           HB1      LEU  52   5.628  -2.060   3.554
  377    HG   LEU  52           HG       LEU  52   2.814  -2.702   4.436
  378   HD11  LEU  52          HD11      LEU  52   2.414  -3.359   2.130
  379   HD12  LEU  52          HD12      LEU  52   4.015  -2.762   1.682
  380   HD13  LEU  52          HD13      LEU  52   2.783  -1.637   2.253
  381   HD21  LEU  52          HD21      LEU  52   3.376  -4.958   3.692
  382   HD22  LEU  52          HD22      LEU  52   4.444  -4.416   4.988
  383   HD23  LEU  52          HD23      LEU  52   5.017  -4.428   3.320
  384    H    GLU  53           HN       GLU  53   5.681   0.547   6.318
  385    HA   GLU  53           HA       GLU  53   8.409   0.796   5.834
  386    HB2  GLU  53           HB2      GLU  53   6.779   2.033   8.044
  387    HB3  GLU  53           HB1      GLU  53   8.439   2.469   7.697
  388    HG2  GLU  53           HG2      GLU  53   7.691   3.187   5.442
  389    HG3  GLU  53           HG1      GLU  53   6.028   2.895   5.972
  390    H    SER  54           HN       SER  54   6.791   0.021   8.834
  391    HA   SER  54           HA       SER  54   9.078  -0.448  10.351
  392    HB2  SER  54           HB2      SER  54   6.291  -1.536  10.746
  393    HB3  SER  54           HB1      SER  54   7.529  -1.326  11.988
  394    HG   SER  54           HG       SER  54   5.889   0.573  10.772
  395    H    ARG  55           HN       ARG  55   7.008  -2.629   8.490
  396    HA   ARG  55           HA       ARG  55   8.190  -5.022   9.360
  397    HB2  ARG  55           HB2      ARG  55   6.012  -5.135   8.382
  398    HB3  ARG  55           HB1      ARG  55   6.576  -4.413   6.881
  399    HG2  ARG  55           HG2      ARG  55   7.905  -6.396   6.401
  400    HG3  ARG  55           HG1      ARG  55   7.404  -7.114   7.932
  401    HD2  ARG  55           HD2      ARG  55   5.149  -7.302   7.194
  402    HD3  ARG  55           HD1      ARG  55   5.469  -6.312   5.768
  403    HE   ARG  55           HE       ARG  55   7.194  -8.384   5.503
  404   HH11  ARG  55          HH11      ARG  55   3.682  -8.451   6.149
  405   HH12  ARG  55          HH12      ARG  55   3.418  -9.748   5.085
  406   HH21  ARG  55          HH21      ARG  55   6.767 -10.159   4.112
  407   HH22  ARG  55          HH22      ARG  55   5.172 -10.736   3.899
  408    H    TYR  56           HN       TYR  56   8.842  -3.143   6.386
  409    HA   TYR  56           HA       TYR  56  10.963  -5.045   5.774
  410    HB2  TYR  56           HB2      TYR  56   9.742  -2.833   4.148
  411    HB3  TYR  56           HB1      TYR  56  11.186  -3.698   3.633
  412    HD1  TYR  56           HD1      TYR  56   7.597  -4.090   4.438
  413    HD2  TYR  56           HD2      TYR  56  11.020  -5.863   2.653
  414    HE1  TYR  56           HE1      TYR  56   6.173  -5.842   3.466
  415    HE2  TYR  56           HE2      TYR  56   9.607  -7.613   1.677
  416    HH   TYR  56           HH       TYR  56   6.174  -7.465   1.669
  417    H    GLY  57           HN       GLY  57  10.712  -1.882   7.102
  418    HA2  GLY  57           HA2      GLY  57  12.520  -0.848   8.184
  419    HA3  GLY  57           HA1      GLY  57  13.630  -1.770   7.174
  420    H    VAL  58           HN       VAL  58  10.870  -0.109   5.938
  421    HA   VAL  58           HA       VAL  58  12.667   1.667   4.473
  422    HB   VAL  58           HB       VAL  58  10.893   1.950   2.760
  423   HG11  VAL  58          HG11      VAL  58  12.613   0.314   2.402
  424   HG12  VAL  58          HG12      VAL  58  11.070  -0.242   1.737
  425   HG13  VAL  58          HG13      VAL  58  11.663  -0.901   3.268
  426   HG21  VAL  58          HG21      VAL  58   8.976   0.410   2.704
  427   HG22  VAL  58          HG22      VAL  58   8.918   1.491   4.091
  428   HG23  VAL  58          HG23      VAL  58   9.424  -0.191   4.302
  429    H    SER  59           HN       SER  59  11.331   3.736   3.695
  430    HA   SER  59           HA       SER  59   9.707   4.657   5.892
  431    HB2  SER  59           HB2      SER  59  12.059   5.349   6.404
  432    HB3  SER  59           HB1      SER  59  12.084   6.243   4.883
  433    HG   SER  59           HG       SER  59  10.052   6.651   6.770
  434    H    ILE  60           HN       ILE  60   7.988   5.300   5.022
  435    HA   ILE  60           HA       ILE  60   8.016   6.486   2.325
  436    HB   ILE  60           HB       ILE  60   5.797   4.886   3.637
  437   HG12  ILE  60          HG12      ILE  60   7.581   4.140   1.305
  438   HG13  ILE  60          HG11      ILE  60   7.769   3.532   2.942
  439   HG21  ILE  60          HG21      ILE  60   5.986   6.057   0.852
  440   HG22  ILE  60          HG22      ILE  60   4.926   6.616   2.146
  441   HG23  ILE  60          HG23      ILE  60   4.687   5.018   1.442
  442   HD11  ILE  60          HD11      ILE  60   5.396   3.089   1.148
  443   HD12  ILE  60          HD12      ILE  60   5.574   2.478   2.794
  444   HD13  ILE  60          HD13      ILE  60   6.660   1.917   1.523
  445    HA   PRO  61           HA       PRO  61   6.490  10.058   4.662
  446    HB2  PRO  61           HB2      PRO  61   6.120  11.031   1.873
  447    HB3  PRO  61           HB1      PRO  61   6.950  11.808   3.226
  448    HG2  PRO  61           HG2      PRO  61   8.331  10.747   1.223
  449    HG3  PRO  61           HG1      PRO  61   8.896  10.607   2.898
  450    HD2  PRO  61           HD2      PRO  61   7.543   8.566   1.178
  451    HD3  PRO  61           HD1      PRO  61   8.881   8.364   2.330
  452    H    ASP  62           HN       ASP  62   4.460  10.299   5.255
  453    HA   ASP  62           HA       ASP  62   2.379   8.704   4.338
  454    HB2  ASP  62           HB2      ASP  62   0.863  10.005   5.739
  455    HB3  ASP  62           HB1      ASP  62   2.382   9.729   6.581
  456    H    ASP  63           HN       ASP  63   3.266  11.921   3.319
  457    HA   ASP  63           HA       ASP  63   0.989  12.704   1.904
  458    HB2  ASP  63           HB2      ASP  63   2.807  14.253   2.238
  459    HB3  ASP  63           HB1      ASP  63   3.895  13.249   1.287
  460    H    VAL  64           HN       VAL  64   3.480  10.440   1.006
  461    HA   VAL  64           HA       VAL  64   2.968  10.416  -1.784
  462    HB   VAL  64           HB       VAL  64   4.199   8.253  -0.091
  463   HG11  VAL  64          HG11      VAL  64   3.633   7.482  -2.353
  464   HG12  VAL  64          HG12      VAL  64   5.384   7.608  -2.190
  465   HG13  VAL  64          HG13      VAL  64   4.485   8.857  -3.055
  466   HG21  VAL  64          HG21      VAL  64   6.384   9.253  -0.686
  467   HG22  VAL  64          HG22      VAL  64   5.373  10.338   0.266
  468   HG23  VAL  64          HG23      VAL  64   5.533  10.582  -1.473
  469    H    ALA  65           HN       ALA  65   1.392   8.952   0.893
  470    HA   ALA  65           HA       ALA  65   0.149   6.901  -0.700
  471    HB1  ALA  65           HB1      ALA  65  -0.426   7.713   2.141
  472    HB2  ALA  65           HB2      ALA  65   0.730   6.477   1.646
  473    HB3  ALA  65           HB3      ALA  65  -0.993   6.248   1.338
  474    H    GLY  66           HN       GLY  66  -0.290  10.143  -0.392
  475    HA2  GLY  66           HA2      GLY  66  -3.170  10.045  -0.833
  476    HA3  GLY  66           HA1      GLY  66  -2.170  11.498  -0.722
  477    H    ARG  67           HN       ARG  67  -0.252   9.928  -2.504
  478    HA   ARG  67           HA       ARG  67  -1.127  11.058  -5.004
  479    HB2  ARG  67           HB2      ARG  67   1.196  11.247  -4.541
  480    HB3  ARG  67           HB1      ARG  67   1.330   9.545  -4.135
  481    HG2  ARG  67           HG2      ARG  67   0.897   8.991  -6.524
  482    HG3  ARG  67           HG1      ARG  67   0.907  10.717  -6.884
  483    HD2  ARG  67           HD2      ARG  67   3.185  10.920  -6.231
  484    HD3  ARG  67           HD1      ARG  67   3.201   9.291  -5.558
  485    HE   ARG  67           HE       ARG  67   2.541   9.179  -8.290
  486   HH11  ARG  67          HH11      ARG  67   5.344   9.975  -6.253
  487   HH12  ARG  67          HH12      ARG  67   6.508   9.326  -7.312
  488   HH21  ARG  67          HH21      ARG  67   4.175   8.222  -9.788
  489   HH22  ARG  67          HH22      ARG  67   5.815   8.312  -9.373
  490    H    VAL  68           HN       VAL  68  -0.724   7.841  -3.625
  491    HA   VAL  68           HA       VAL  68  -0.684   6.370  -5.948
  492    HB   VAL  68           HB       VAL  68  -1.315   4.398  -4.523
  493   HG11  VAL  68          HG11      VAL  68   0.862   6.227  -3.525
  494   HG12  VAL  68          HG12      VAL  68   0.986   5.087  -4.861
  495   HG13  VAL  68          HG13      VAL  68   0.758   4.494  -3.211
  496   HG21  VAL  68          HG21      VAL  68  -2.741   5.553  -2.889
  497   HG22  VAL  68          HG22      VAL  68  -1.345   6.472  -2.321
  498   HG23  VAL  68          HG23      VAL  68  -1.404   4.724  -2.094
  499    H    ASP  69           HN       ASP  69  -1.970   6.449  -7.447
  500    HA   ASP  69           HA       ASP  69  -4.801   6.856  -7.388
  501    HB2  ASP  69           HB2      ASP  69  -3.423   7.417  -9.356
  502    HB3  ASP  69           HB1      ASP  69  -3.020   5.726  -9.554
  503    H    THR  70           HN       THR  70  -2.765   4.054  -7.974
  504    HA   THR  70           HA       THR  70  -5.005   2.279  -7.342
  505    HB   THR  70           HB       THR  70  -4.071   0.725  -9.053
  506    HG1  THR  70           HG1      THR  70  -2.695   2.804 -10.305
  507   HG21  THR  70          HG21      THR  70  -4.850   3.448 -10.097
  508   HG22  THR  70          HG22      THR  70  -5.975   2.167  -9.634
  509   HG23  THR  70          HG23      THR  70  -4.909   1.951 -11.034
  510    HA   PRO  71           HA       PRO  71  -2.089   0.292  -4.646
  511    HB2  PRO  71           HB2      PRO  71  -3.010  -2.309  -5.726
  512    HB3  PRO  71           HB1      PRO  71  -2.968  -1.728  -4.057
  513    HG2  PRO  71           HG2      PRO  71  -5.272  -1.868  -5.348
  514    HG3  PRO  71           HG1      PRO  71  -4.907  -0.488  -4.291
  515    HD2  PRO  71           HD2      PRO  71  -4.767  -0.671  -7.277
  516    HD3  PRO  71           HD1      PRO  71  -5.428   0.629  -6.263
  517    H    ARG  72           HN       ARG  72  -2.083  -0.488  -8.107
  518    HA   ARG  72           HA       ARG  72   0.394  -1.874  -8.082
  519    HB2  ARG  72           HB2      ARG  72  -0.839  -0.193 -10.264
  520    HB3  ARG  72           HB1      ARG  72   0.711  -0.988 -10.446
  521    HG2  ARG  72           HG2      ARG  72  -0.498  -3.145  -9.964
  522    HG3  ARG  72           HG1      ARG  72  -1.994  -2.222 -10.148
  523    HD2  ARG  72           HD2      ARG  72  -1.232  -1.495 -12.369
  524    HD3  ARG  72           HD1      ARG  72   0.194  -2.510 -12.182
  525    HE   ARG  72           HE       ARG  72  -2.534  -3.611 -12.156
  526   HH11  ARG  72          HH11      ARG  72   0.844  -3.972 -13.099
  527   HH12  ARG  72          HH12      ARG  72   0.535  -5.105 -14.330
  528   HH21  ARG  72          HH21      ARG  72  -2.979  -5.086 -13.791
  529   HH22  ARG  72          HH22      ARG  72  -1.734  -5.752 -14.784
  530    H    GLU  73           HN       GLU  73  -0.448   1.499  -8.140
  531    HA   GLU  73           HA       GLU  73   2.192   2.444  -8.544
  532    HB2  GLU  73           HB2      GLU  73   0.178   3.730  -9.109
  533    HB3  GLU  73           HB1      GLU  73  -0.261   3.798  -7.414
  534    HG2  GLU  73           HG2      GLU  73   1.439   5.301  -6.918
  535    HG3  GLU  73           HG1      GLU  73   2.309   4.951  -8.415
  536    H    LEU  74           HN       LEU  74   0.231   1.729  -5.758
  537    HA   LEU  74           HA       LEU  74   2.029   2.724  -3.777
  538    HB2  LEU  74           HB2      LEU  74  -0.529   2.024  -3.670
  539    HB3  LEU  74           HB1      LEU  74   0.117   0.446  -3.291
  540    HG   LEU  74           HG       LEU  74   0.493   2.965  -1.655
  541   HD11  LEU  74          HD11      LEU  74  -1.188   0.530  -1.147
  542   HD12  LEU  74          HD12      LEU  74  -1.763   2.143  -1.565
  543   HD13  LEU  74          HD13      LEU  74  -0.947   1.871  -0.026
  544   HD21  LEU  74          HD21      LEU  74   2.414   1.461  -1.417
  545   HD22  LEU  74          HD22      LEU  74   1.322   0.132  -1.025
  546   HD23  LEU  74          HD23      LEU  74   1.453   1.518   0.061
  547    H    LEU  75           HN       LEU  75   1.422  -0.453  -5.222
  548    HA   LEU  75           HA       LEU  75   3.293  -2.061  -3.922
  549    HB2  LEU  75           HB2      LEU  75   1.480  -2.796  -5.481
  550    HB3  LEU  75           HB1      LEU  75   2.394  -2.137  -6.812
  551    HG   LEU  75           HG       LEU  75   4.203  -3.810  -6.272
  552   HD11  LEU  75          HD11      LEU  75   3.561  -5.739  -4.931
  553   HD12  LEU  75          HD12      LEU  75   2.041  -4.941  -4.515
  554   HD13  LEU  75          HD13      LEU  75   3.576  -4.257  -3.977
  555   HD21  LEU  75          HD21      LEU  75   3.029  -5.664  -7.328
  556   HD22  LEU  75          HD22      LEU  75   2.596  -4.135  -8.101
  557   HD23  LEU  75          HD23      LEU  75   1.483  -4.908  -6.969
  558    H    ASP  76           HN       ASP  76   3.505  -0.271  -6.951
  559    HA   ASP  76           HA       ASP  76   6.130  -0.763  -7.685
  560    HB2  ASP  76           HB2      ASP  76   4.478   0.216  -9.188
  561    HB3  ASP  76           HB1      ASP  76   4.425   1.674  -8.208
  562    H    LEU  77           HN       LEU  77   4.798   1.854  -5.732
  563    HA   LEU  77           HA       LEU  77   7.056   3.382  -5.269
  564    HB2  LEU  77           HB2      LEU  77   4.968   4.183  -4.505
  565    HB3  LEU  77           HB1      LEU  77   4.685   2.753  -3.535
  566    HG   LEU  77           HG       LEU  77   6.587   3.468  -2.074
  567   HD11  LEU  77          HD11      LEU  77   7.309   5.784  -2.109
  568   HD12  LEU  77          HD12      LEU  77   6.410   6.048  -3.609
  569   HD13  LEU  77          HD13      LEU  77   7.770   4.922  -3.576
  570   HD21  LEU  77          HD21      LEU  77   4.243   5.348  -2.282
  571   HD22  LEU  77          HD22      LEU  77   5.298   5.152  -0.878
  572   HD23  LEU  77          HD23      LEU  77   4.290   3.812  -1.413
  573    H    ILE  78           HN       ILE  78   5.820   0.710  -3.294
  574    HA   ILE  78           HA       ILE  78   8.078   0.867  -1.571
  575    HB   ILE  78           HB       ILE  78   6.127  -1.447  -1.689
  576   HG12  ILE  78          HG12      ILE  78   5.957   1.135  -0.117
  577   HG13  ILE  78          HG11      ILE  78   4.968   0.743  -1.519
  578   HG21  ILE  78          HG21      ILE  78   6.771  -1.652   0.701
  579   HG22  ILE  78          HG22      ILE  78   7.876  -0.295   0.512
  580   HG23  ILE  78          HG23      ILE  78   8.177  -1.800  -0.355
  581   HD11  ILE  78          HD11      ILE  78   3.757   0.419   0.546
  582   HD12  ILE  78          HD12      ILE  78   4.988  -0.714   1.106
  583   HD13  ILE  78          HD13      ILE  78   3.988  -1.115  -0.290
  584    H    ASN  79           HN       ASN  79   7.225  -1.151  -4.314
  585    HA   ASN  79           HA       ASN  79   9.358  -2.985  -4.068
  586    HB2  ASN  79           HB2      ASN  79   7.784  -2.034  -6.461
  587    HB3  ASN  79           HB1      ASN  79   9.171  -3.082  -6.680
  588   HD21  ASN  79          HD21      ASN  79   6.957  -3.369  -3.947
  589   HD22  ASN  79          HD22      ASN  79   6.284  -4.881  -4.459
  590    H    GLY  80           HN       GLY  80   9.154   0.186  -5.590
  591    HA2  GLY  80           HA2      GLY  80  11.815   0.219  -6.550
  592    HA3  GLY  80           HA1      GLY  80  10.780   1.620  -6.286
  593    H    ALA  81           HN       ALA  81  10.290   1.351  -3.589
  594    HA   ALA  81           HA       ALA  81  12.545   2.556  -2.432
  595    HB1  ALA  81           HB1      ALA  81  10.168   1.344  -1.025
  596    HB2  ALA  81           HB2      ALA  81  10.246   2.978  -1.678
  597    HB3  ALA  81           HB3      ALA  81  11.300   2.512  -0.340
  598    H    LEU  82           HN       LEU  82  11.512  -0.778  -2.496
  599    HA   LEU  82           HA       LEU  82  13.278  -1.700  -0.471
  600    HB2  LEU  82           HB2      LEU  82  11.969  -3.176  -2.757
  601    HB3  LEU  82           HB1      LEU  82  12.883  -3.959  -1.483
  602    HG   LEU  82           HG       LEU  82  10.364  -2.352  -1.066
  603   HD11  LEU  82          HD11      LEU  82   9.907  -4.410  -2.255
  604   HD12  LEU  82          HD12      LEU  82   9.306  -4.498  -0.601
  605   HD13  LEU  82          HD13      LEU  82  10.800  -5.328  -1.043
  606   HD21  LEU  82          HD21      LEU  82  11.972  -4.048   0.835
  607   HD22  LEU  82          HD22      LEU  82  10.428  -3.276   1.195
  608   HD23  LEU  82          HD23      LEU  82  11.851  -2.289   0.855
  609    H    ALA  83           HN       ALA  83  13.620  -1.078  -3.859
  610    HA   ALA  83           HA       ALA  83  16.225  -2.288  -4.067
  611    HB1  ALA  83           HB1      ALA  83  16.264  -1.257  -6.301
  612    HB2  ALA  83           HB2      ALA  83  14.799  -0.357  -5.910
  613    HB3  ALA  83           HB3      ALA  83  14.749  -2.115  -6.026
  614    H    GLU  84           HN       GLU  84  14.989   0.498  -2.744
  615    HA   GLU  84           HA       GLU  84  17.527   1.979  -2.914
  616    HB2  GLU  84           HB2      GLU  84  14.760   2.919  -2.139
  617    HB3  GLU  84           HB1      GLU  84  16.198   3.924  -2.206
  618    HG2  GLU  84           HG2      GLU  84  16.352   3.618  -4.587
  619    HG3  GLU  84           HG1      GLU  84  14.985   2.503  -4.558
  620    H    ALA  85           HN       ALA  85  16.424  -0.311  -1.133
  621    HA   ALA  85           HA       ALA  85  16.359   0.859   1.484
  622    HB1  ALA  85           HB1      ALA  85  16.486  -2.047   0.680
  623    HB2  ALA  85           HB2      ALA  85  15.011  -1.126   0.974
  624    HB3  ALA  85           HB3      ALA  85  16.139  -1.433   2.295
  625    H    ALA  86           HN       ALA  86  18.078   1.532   2.421
  626    HA   ALA  86           HA       ALA  86  20.532  -0.034   2.215
  627    HB1  ALA  86           HB1      ALA  86  21.795   2.084   2.346
  628    HB2  ALA  86           HB2      ALA  86  20.281   2.984   2.289
  629    HB3  ALA  86           HB3      ALA  86  20.787   2.023   0.900
  630    H28  SXV  87          H28A      SXV  87  -6.296  13.371   4.837
  631   H28A  SXV  87          H28B      SXV  87  -5.022  12.366   4.156
  632    H30  SXV  87          H30C      SXV  87  -3.178  13.583   4.971
  633   H30A  SXV  87          H30A      SXV  87  -4.327  14.523   5.923
  634   H30B  SXV  87          H30B      SXV  87  -3.127  15.344   4.923
  635    H31  SXV  87          H31C      SXV  87  -4.682  14.296   1.721
  636   H31A  SXV  87          H31A      SXV  87  -3.332  13.497   2.529
  637   H31B  SXV  87          H31B      SXV  87  -3.356  15.264   2.380
  638    H32  SXV  87          H32A      SXV  87  -4.916  16.667   3.819
  639   HO33  SXV  87          H33A      SXV  87  -6.977  15.123   5.044
  640   HN36  SXV  87          H36A      SXV  87  -8.086  15.501   3.820
  641    H37  SXV  87          H37B      SXV  87  -8.402  15.654   0.919
  642   H37A  SXV  87          H37A      SXV  87  -9.379  16.698   1.940
  643    H38  SXV  87          H38B      SXV  87 -10.393  14.721   2.982
  644   H38A  SXV  87          H38A      SXV  87  -9.247  13.714   2.077
  645   HN41  SXV  87          H41A      SXV  87  -9.568  15.487  -0.294
  646    H42  SXV  87          H42B      SXV  87 -11.806  15.915  -1.493
  647   H42A  SXV  87          H42A      SXV  87 -11.825  14.160  -1.531
  648    H43  SXV  87          H43B      SXV  87  -9.786  14.133  -2.730
  649   H43A  SXV  87          H43A      SXV  87 -10.818  15.293  -3.549
  650    H1   SXV  87           H1B      SXV  87  -7.190  16.794  -3.914
  651    H1A  SXV  87           H1A      SXV  87  -7.739  15.111  -4.049
  652    H2   SXV  87           H2A      SXV  87  -9.705  15.752  -5.251
  653    H2A  SXV  87           H2B      SXV  87  -8.242  16.283  -6.075
  654    H4   SXV  87           H4C      SXV  87 -11.268  18.594  -4.535
  655    H4A  SXV  87           H4A      SXV  87 -11.378  17.085  -5.449
  656    H4B  SXV  87           H4B      SXV  87 -11.098  18.612  -6.296
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  20.625 -10.161  -1.704
    2    H2   MET   1           HT2      MET   1  20.204  -9.450  -3.176
    3    H3   MET   1           HT3      MET   1  20.690 -11.081  -3.127
    4    HA   MET   1           HA       MET   1  18.314 -10.887  -3.393
    5    HB2  MET   1           HB2      MET   1  19.239 -12.772  -2.060
    6    HB3  MET   1           HB1      MET   1  19.095 -11.791  -0.608
    7    HG2  MET   1           HG2      MET   1  16.652 -11.693  -0.959
    8    HG3  MET   1           HG1      MET   1  16.836 -12.763  -2.347
    9    HE1  MET   1           HE1      MET   1  17.110 -12.412   1.556
   10    HE2  MET   1           HE2      MET   1  18.758 -12.851   1.109
   11    HE3  MET   1           HE3      MET   1  17.760 -13.986   2.016
   12    H    ALA   2           HN       ALA   2  16.647  -9.566  -3.132
   13    HA   ALA   2           HA       ALA   2  16.774  -7.645  -0.923
   14    HB1  ALA   2           HB1      ALA   2  15.355  -6.226  -2.338
   15    HB2  ALA   2           HB2      ALA   2  15.370  -7.464  -3.594
   16    HB3  ALA   2           HB3      ALA   2  16.864  -6.635  -3.155
   17    H    THR   3           HN       THR   3  14.849  -7.292   0.245
   18    HA   THR   3           HA       THR   3  13.036  -9.521   0.270
   19    HB   THR   3           HB       THR   3  12.048  -8.000   2.147
   20    HG1  THR   3           HG1      THR   3  13.449  -6.362   2.865
   21   HG21  THR   3          HG21      THR   3  13.782  -8.743   3.729
   22   HG22  THR   3          HG22      THR   3  14.858  -9.100   2.376
   23   HG23  THR   3          HG23      THR   3  13.367 -10.019   2.585
   24    H    LEU   4           HN       LEU   4  11.598  -9.461  -1.312
   25    HA   LEU   4           HA       LEU   4  10.378  -6.886  -2.016
   26    HB2  LEU   4           HB2      LEU   4  10.852  -9.296  -3.773
   27    HB3  LEU   4           HB1      LEU   4   9.987  -7.853  -4.257
   28    HG   LEU   4           HG       LEU   4  12.912  -7.951  -3.503
   29   HD11  LEU   4          HD11      LEU   4  11.590  -7.705  -6.196
   30   HD12  LEU   4          HD12      LEU   4  12.486  -9.101  -5.600
   31   HD13  LEU   4          HD13      LEU   4  13.319  -7.572  -5.880
   32   HD21  LEU   4          HD21      LEU   4  11.230  -5.716  -4.639
   33   HD22  LEU   4          HD22      LEU   4  12.974  -5.663  -4.380
   34   HD23  LEU   4          HD23      LEU   4  11.881  -5.794  -3.003
   35    H    LEU   5           HN       LEU   5   8.231  -6.772  -1.983
   36    HA   LEU   5           HA       LEU   5   6.877  -9.172  -1.139
   37    HB2  LEU   5           HB2      LEU   5   4.984  -7.625  -0.522
   38    HB3  LEU   5           HB1      LEU   5   6.427  -7.529   0.450
   39    HG   LEU   5           HG       LEU   5   7.002  -5.416  -0.867
   40   HD11  LEU   5          HD11      LEU   5   5.164  -4.236  -1.931
   41   HD12  LEU   5          HD12      LEU   5   4.122  -5.641  -1.711
   42   HD13  LEU   5          HD13      LEU   5   5.525  -5.742  -2.774
   43   HD21  LEU   5          HD21      LEU   5   5.471  -4.048   0.453
   44   HD22  LEU   5          HD22      LEU   5   6.180  -5.376   1.384
   45   HD23  LEU   5          HD23      LEU   5   4.517  -5.494   0.805
   46    H    THR   6           HN       THR   6   5.272 -10.098  -2.200
   47    HA   THR   6           HA       THR   6   4.982  -9.333  -4.976
   48    HB   THR   6           HB       THR   6   3.774 -11.498  -5.121
   49    HG1  THR   6           HG1      THR   6   4.455 -12.575  -2.773
   50   HG21  THR   6          HG21      THR   6   5.726 -12.946  -4.696
   51   HG22  THR   6          HG22      THR   6   6.463 -11.669  -3.730
   52   HG23  THR   6          HG23      THR   6   6.223 -11.437  -5.463
   53    H    THR   7           HN       THR   7   2.496 -10.121  -5.650
   54    HA   THR   7           HA       THR   7   0.802  -8.198  -4.505
   55    HB   THR   7           HB       THR   7  -0.963  -9.410  -5.898
   56    HG1  THR   7           HG1      THR   7   0.558 -10.690  -7.551
   57   HG21  THR   7          HG21      THR   7   1.560  -8.440  -7.261
   58   HG22  THR   7          HG22      THR   7   0.237  -7.419  -6.698
   59   HG23  THR   7          HG23      THR   7  -0.030  -8.563  -8.013
   60    H    ASP   8           HN       ASP   8   1.589 -11.437  -3.686
   61    HA   ASP   8           HA       ASP   8  -0.815 -12.019  -2.225
   62    HB2  ASP   8           HB2      ASP   8   1.951 -13.252  -2.019
   63    HB3  ASP   8           HB1      ASP   8   0.588 -13.779  -1.053
   64    H    ASP   9           HN       ASP   9   2.305 -10.642  -1.516
   65    HA   ASP   9           HA       ASP   9   1.729 -10.493   1.289
   66    HB2  ASP   9           HB2      ASP   9   4.086 -10.653   0.451
   67    HB3  ASP   9           HB1      ASP   9   3.918  -9.001  -0.144
   68    H    LEU  10           HN       LEU  10   1.698  -8.238  -1.410
   69    HA   LEU  10           HA       LEU  10   1.031  -5.946   0.080
   70    HB2  LEU  10           HB2      LEU  10   1.737  -5.990  -2.335
   71    HB3  LEU  10           HB1      LEU  10   0.147  -6.603  -2.739
   72    HG   LEU  10           HG       LEU  10  -0.839  -4.516  -1.807
   73   HD11  LEU  10          HD11      LEU  10   0.949  -3.893  -0.303
   74   HD12  LEU  10          HD12      LEU  10   0.625  -2.591  -1.449
   75   HD13  LEU  10          HD13      LEU  10   2.033  -3.630  -1.668
   76   HD21  LEU  10          HD21      LEU  10   1.164  -4.144  -4.031
   77   HD22  LEU  10          HD22      LEU  10  -0.221  -3.102  -3.707
   78   HD23  LEU  10          HD23      LEU  10  -0.474  -4.774  -4.207
   79    H    ARG  11           HN       ARG  11  -0.835  -8.603  -1.145
   80    HA   ARG  11           HA       ARG  11  -3.443  -7.676  -0.703
   81    HB2  ARG  11           HB2      ARG  11  -2.729  -9.692  -2.010
   82    HB3  ARG  11           HB1      ARG  11  -2.383 -10.496  -0.496
   83    HG2  ARG  11           HG2      ARG  11  -4.725 -10.451   0.091
   84    HG3  ARG  11           HG1      ARG  11  -5.095  -9.537  -1.378
   85    HD2  ARG  11           HD2      ARG  11  -3.919 -12.318  -1.255
   86    HD3  ARG  11           HD1      ARG  11  -5.575 -11.907  -1.703
   87    HE   ARG  11           HE       ARG  11  -4.578 -10.666  -3.613
   88   HH11  ARG  11          HH11      ARG  11  -3.047 -13.538  -2.309
   89   HH12  ARG  11          HH12      ARG  11  -1.949 -13.757  -3.570
   90   HH21  ARG  11          HH21      ARG  11  -3.142 -10.975  -5.480
   91   HH22  ARG  11          HH22      ARG  11  -2.065 -12.289  -5.479
   92    H    ARG  12           HN       ARG  12  -1.048  -9.182   1.419
   93    HA   ARG  12           HA       ARG  12  -2.819  -9.331   3.681
   94    HB2  ARG  12           HB2      ARG  12   0.208  -9.393   3.611
   95    HB3  ARG  12           HB1      ARG  12  -0.759  -9.652   5.050
   96    HG2  ARG  12           HG2      ARG  12  -1.783 -11.611   3.852
   97    HG3  ARG  12           HG1      ARG  12  -0.530 -11.395   2.624
   98    HD2  ARG  12           HD2      ARG  12  -0.050 -11.858   5.571
   99    HD3  ARG  12           HD1      ARG  12   0.096 -13.077   4.314
  100    HE   ARG  12           HE       ARG  12   1.781 -10.937   3.664
  101   HH11  ARG  12          HH11      ARG  12   1.585 -13.284   6.353
  102   HH12  ARG  12          HH12      ARG  12   3.292 -13.480   6.394
  103   HH21  ARG  12          HH21      ARG  12   4.008 -11.165   3.891
  104   HH22  ARG  12          HH22      ARG  12   4.694 -12.225   5.066
  105    H    ALA  13           HN       ALA  13  -0.345  -7.134   2.556
  106    HA   ALA  13           HA       ALA  13  -0.128  -5.416   4.706
  107    HB1  ALA  13           HB1      ALA  13   0.087  -4.690   1.790
  108    HB2  ALA  13           HB2      ALA  13   1.367  -5.407   2.774
  109    HB3  ALA  13           HB3      ALA  13   0.763  -3.795   3.151
  110    H    LEU  14           HN       LEU  14  -2.376  -5.163   1.962
  111    HA   LEU  14           HA       LEU  14  -3.601  -2.808   2.955
  112    HB2  LEU  14           HB2      LEU  14  -4.368  -4.751   0.819
  113    HB3  LEU  14           HB1      LEU  14  -5.580  -3.639   1.404
  114    HG   LEU  14           HG       LEU  14  -4.599  -2.782  -0.617
  115   HD11  LEU  14          HD11      LEU  14  -3.859  -0.582   0.129
  116   HD12  LEU  14          HD12      LEU  14  -3.679  -1.206   1.769
  117   HD13  LEU  14          HD13      LEU  14  -5.273  -1.150   1.017
  118   HD21  LEU  14          HD21      LEU  14  -1.942  -2.880   0.810
  119   HD22  LEU  14          HD22      LEU  14  -2.234  -2.144  -0.767
  120   HD23  LEU  14          HD23      LEU  14  -2.429  -3.884  -0.556
  121    H    VAL  15           HN       VAL  15  -4.002  -6.069   3.864
  122    HA   VAL  15           HA       VAL  15  -6.538  -5.480   5.117
  123    HB   VAL  15           HB       VAL  15  -4.921  -8.062   5.195
  124   HG11  VAL  15          HG11      VAL  15  -7.748  -7.552   6.139
  125   HG12  VAL  15          HG12      VAL  15  -6.358  -7.864   7.178
  126   HG13  VAL  15          HG13      VAL  15  -6.945  -9.122   6.088
  127   HG21  VAL  15          HG21      VAL  15  -5.771  -7.539   2.986
  128   HG22  VAL  15          HG22      VAL  15  -7.391  -7.319   3.643
  129   HG23  VAL  15          HG23      VAL  15  -6.636  -8.913   3.676
  130    H    GLU  16           HN       GLU  16  -3.241  -5.236   5.888
  131    HA   GLU  16           HA       GLU  16  -3.410  -5.730   8.657
  132    HB2  GLU  16           HB2      GLU  16  -1.342  -4.013   7.218
  133    HB3  GLU  16           HB1      GLU  16  -1.247  -4.568   8.879
  134    HG2  GLU  16           HG2      GLU  16  -1.379  -6.918   7.986
  135    HG3  GLU  16           HG1      GLU  16  -1.137  -6.225   6.388
  136    H    SER  17           HN       SER  17  -3.528  -2.678   6.824
  137    HA   SER  17           HA       SER  17  -4.097  -1.176   9.157
  138    HB2  SER  17           HB2      SER  17  -4.699   0.560   7.326
  139    HB3  SER  17           HB1      SER  17  -3.023   0.020   7.471
  140    HG   SER  17           HG       SER  17  -4.986  -0.765   5.586
  141    H    ALA  18           HN       ALA  18  -5.988  -3.124   7.102
  142    HA   ALA  18           HA       ALA  18  -8.499  -1.838   7.573
  143    HB1  ALA  18           HB1      ALA  18  -7.918  -4.681   6.706
  144    HB2  ALA  18           HB2      ALA  18  -8.186  -3.308   5.627
  145    HB3  ALA  18           HB3      ALA  18  -9.498  -3.894   6.653
  146    H    GLY  19           HN       GLY  19  -6.687  -4.475   8.983
  147    HA2  GLY  19           HA2      GLY  19  -6.618  -5.249  11.118
  148    HA3  GLY  19           HA1      GLY  19  -7.638  -3.897  11.587
  149    H    GLU  20           HN       GLU  20  -9.575  -4.353  12.268
  150    HA   GLU  20           HA       GLU  20 -10.460  -7.088  12.250
  151    HB2  GLU  20           HB2      GLU  20 -11.585  -4.624  13.567
  152    HB3  GLU  20           HB1      GLU  20 -12.192  -6.256  13.797
  153    HG2  GLU  20           HG2      GLU  20  -9.426  -5.310  14.492
  154    HG3  GLU  20           HG1      GLU  20 -10.755  -5.524  15.632
  155    H    THR  21           HN       THR  21 -10.699  -5.003   9.939
  156    HA   THR  21           HA       THR  21 -13.529  -4.977   9.406
  157    HB   THR  21           HB       THR  21 -11.224  -4.401   7.524
  158    HG1  THR  21           HG1      THR  21 -11.046  -2.915   9.143
  159   HG21  THR  21          HG21      THR  21 -14.136  -3.570   7.427
  160   HG22  THR  21          HG22      THR  21 -13.366  -4.760   6.378
  161   HG23  THR  21          HG23      THR  21 -12.893  -3.063   6.282
  162    H    ASP  22           HN       ASP  22 -14.184  -7.110   9.368
  163    HA   ASP  22           HA       ASP  22 -12.930  -9.199   7.878
  164    HB2  ASP  22           HB2      ASP  22 -14.501  -9.631   9.769
  165    HB3  ASP  22           HB1      ASP  22 -15.816  -8.996   8.790
  166    H    GLY  23           HN       GLY  23 -13.432  -9.976   5.826
  167    HA2  GLY  23           HA2      GLY  23 -14.494  -9.985   3.766
  168    HA3  GLY  23           HA1      GLY  23 -15.521  -8.662   4.311
  169    H    THR  24           HN       THR  24 -12.033  -9.093   4.085
  170    HA   THR  24           HA       THR  24 -11.964  -6.794   2.293
  171    HB   THR  24           HB       THR  24  -9.904  -7.415   4.454
  172    HG1  THR  24           HG1      THR  24 -11.453  -6.517   5.652
  173   HG21  THR  24          HG21      THR  24  -9.029  -5.174   3.908
  174   HG22  THR  24          HG22      THR  24 -10.256  -4.998   2.652
  175   HG23  THR  24          HG23      THR  24  -8.996  -6.221   2.488
  176    H    ASP  25           HN       ASP  25 -12.094  -8.595   0.710
  177    HA   ASP  25           HA       ASP  25  -9.519  -9.947   0.391
  178    HB2  ASP  25           HB2      ASP  25 -11.433 -11.470   0.262
  179    HB3  ASP  25           HB1      ASP  25 -12.144 -10.489  -1.020
  180    H    LEU  26           HN       LEU  26  -8.151  -9.201  -0.910
  181    HA   LEU  26           HA       LEU  26  -8.928  -7.144  -2.817
  182    HB2  LEU  26           HB2      LEU  26  -6.230  -8.131  -1.901
  183    HB3  LEU  26           HB1      LEU  26  -6.402  -7.040  -3.252
  184    HG   LEU  26           HG       LEU  26  -5.769  -5.758  -1.370
  185   HD11  LEU  26          HD11      LEU  26  -7.344  -4.669  -2.788
  186   HD12  LEU  26          HD12      LEU  26  -7.608  -4.178  -1.116
  187   HD13  LEU  26          HD13      LEU  26  -8.692  -5.346  -1.875
  188   HD21  LEU  26          HD21      LEU  26  -8.097  -6.954   0.141
  189   HD22  LEU  26          HD22      LEU  26  -7.077  -5.643   0.725
  190   HD23  LEU  26          HD23      LEU  26  -6.383  -7.247   0.453
  191    H    SER  27           HN       SER  27  -8.264 -10.452  -2.747
  192    HA   SER  27           HA       SER  27  -8.136 -12.097  -4.226
  193    HB2  SER  27           HB2      SER  27 -10.141 -10.835  -5.223
  194    HB3  SER  27           HB1      SER  27  -9.009 -10.163  -6.396
  195    HG   SER  27           HG       SER  27  -9.750 -12.826  -5.943
  196    H    GLY  28           HN       GLY  28  -7.230 -12.427  -6.739
  197    HA2  GLY  28           HA2      GLY  28  -4.457 -12.400  -6.463
  198    HA3  GLY  28           HA1      GLY  28  -5.309 -12.653  -7.976
  199    H    ASP  29           HN       ASP  29  -5.900 -10.737  -9.204
  200    HA   ASP  29           HA       ASP  29  -3.822  -8.712  -8.983
  201    HB2  ASP  29           HB2      ASP  29  -4.080  -9.661 -11.204
  202    HB3  ASP  29           HB1      ASP  29  -5.807  -9.315 -11.189
  203    H    PHE  30           HN       PHE  30  -4.263  -7.021  -7.860
  204    HA   PHE  30           HA       PHE  30  -6.961  -5.860  -7.986
  205    HB2  PHE  30           HB2      PHE  30  -6.774  -5.277  -5.595
  206    HB3  PHE  30           HB1      PHE  30  -6.838  -7.005  -5.868
  207    HD1  PHE  30           HD2      PHE  30  -4.686  -8.326  -5.640
  208    HD2  PHE  30           HD1      PHE  30  -4.992  -4.250  -4.464
  209    HE1  PHE  30           HE2      PHE  30  -2.674  -8.578  -4.262
  210    HE2  PHE  30           HE1      PHE  30  -2.978  -4.501  -3.079
  211    HZ   PHE  30           HZ       PHE  30  -1.820  -6.665  -2.978
  212    H    LEU  31           HN       LEU  31  -4.306  -5.335  -9.226
  213    HA   LEU  31           HA       LEU  31  -3.188  -3.113  -7.892
  214    HB2  LEU  31           HB2      LEU  31  -2.648  -4.234 -10.624
  215    HB3  LEU  31           HB1      LEU  31  -1.810  -2.839  -9.984
  216    HG   LEU  31           HG       LEU  31  -0.373  -4.670  -9.697
  217   HD11  LEU  31          HD11      LEU  31  -1.669  -4.111  -7.054
  218   HD12  LEU  31          HD12      LEU  31  -0.377  -3.189  -7.824
  219   HD13  LEU  31          HD13      LEU  31  -0.079  -4.842  -7.283
  220   HD21  LEU  31          HD21      LEU  31  -2.628  -6.176  -8.368
  221   HD22  LEU  31          HD22      LEU  31  -0.962  -6.740  -8.506
  222   HD23  LEU  31          HD23      LEU  31  -1.941  -6.517  -9.955
  223    H    ASP  32           HN       ASP  32  -5.802  -3.306 -10.106
  224    HA   ASP  32           HA       ASP  32  -5.532  -0.404 -10.538
  225    HB2  ASP  32           HB2      ASP  32  -7.022  -0.523 -12.437
  226    HB3  ASP  32           HB1      ASP  32  -5.786  -1.750 -12.636
  227    H    LEU  33           HN       LEU  33  -6.828  -2.230  -8.297
  228    HA   LEU  33           HA       LEU  33  -9.529  -1.309  -8.233
  229    HB2  LEU  33           HB2      LEU  33  -7.808  -2.289  -5.953
  230    HB3  LEU  33           HB1      LEU  33  -9.524  -1.975  -5.851
  231    HG   LEU  33           HG       LEU  33  -8.139  -4.180  -7.351
  232   HD11  LEU  33          HD11      LEU  33 -10.142  -4.122  -5.125
  233   HD12  LEU  33          HD12      LEU  33  -8.427  -4.510  -4.976
  234   HD13  LEU  33          HD13      LEU  33  -9.503  -5.584  -5.883
  235   HD21  LEU  33          HD21      LEU  33 -10.336  -4.911  -8.072
  236   HD22  LEU  33          HD22      LEU  33  -9.963  -3.317  -8.734
  237   HD23  LEU  33          HD23      LEU  33 -11.069  -3.468  -7.366
  238    H    ARG  34           HN       ARG  34 -10.278   0.511  -7.538
  239    HA   ARG  34           HA       ARG  34  -8.294   2.535  -6.835
  240    HB2  ARG  34           HB2      ARG  34 -11.255   2.967  -7.207
  241    HB3  ARG  34           HB1      ARG  34  -9.982   4.176  -7.255
  242    HG2  ARG  34           HG2      ARG  34 -10.366   1.968  -9.260
  243    HG3  ARG  34           HG1      ARG  34 -10.878   3.638  -9.468
  244    HD2  ARG  34           HD2      ARG  34  -8.598   4.390  -9.478
  245    HD3  ARG  34           HD1      ARG  34  -8.001   2.779  -9.049
  246    HE   ARG  34           HE       ARG  34  -9.356   2.237 -11.249
  247   HH11  ARG  34          HH11      ARG  34  -6.961   4.837 -10.744
  248   HH12  ARG  34          HH12      ARG  34  -6.520   4.883 -12.379
  249   HH21  ARG  34          HH21      ARG  34  -8.754   2.406 -13.510
  250   HH22  ARG  34          HH22      ARG  34  -7.524   3.519 -13.948
  251    H    PHE  35           HN       PHE  35  -8.283   3.611  -4.914
  252    HA   PHE  35           HA       PHE  35  -9.066   2.028  -2.753
  253    HB2  PHE  35           HB2      PHE  35  -7.920   4.802  -2.769
  254    HB3  PHE  35           HB1      PHE  35  -8.181   3.854  -1.302
  255    HD1  PHE  35           HD2      PHE  35  -7.068   1.595  -1.147
  256    HD2  PHE  35           HD1      PHE  35  -6.015   4.486  -4.061
  257    HE1  PHE  35           HE2      PHE  35  -4.923   0.483  -1.458
  258    HE2  PHE  35           HE1      PHE  35  -3.848   3.375  -4.392
  259    HZ   PHE  35           HZ       PHE  35  -3.344   1.297  -3.173
  260    H    GLU  36           HN       GLU  36 -10.751   4.644  -4.215
  261    HA   GLU  36           HA       GLU  36 -12.517   5.285  -2.075
  262    HB2  GLU  36           HB2      GLU  36 -13.254   5.165  -4.993
  263    HB3  GLU  36           HB1      GLU  36 -13.965   6.179  -3.752
  264    HG2  GLU  36           HG2      GLU  36 -12.044   7.563  -3.672
  265    HG3  GLU  36           HG1      GLU  36 -11.123   6.446  -4.685
  266    H    ASP  37           HN       ASP  37 -12.722   3.064  -4.795
  267    HA   ASP  37           HA       ASP  37 -15.137   1.823  -4.247
  268    HB2  ASP  37           HB2      ASP  37 -14.183   1.608  -6.398
  269    HB3  ASP  37           HB1      ASP  37 -12.695   0.934  -5.756
  270    H    ILE  38           HN       ILE  38 -11.870   0.928  -3.192
  271    HA   ILE  38           HA       ILE  38 -13.018  -1.327  -1.777
  272    HB   ILE  38           HB       ILE  38 -10.751  -2.016  -1.146
  273   HG12  ILE  38          HG12      ILE  38  -9.832   0.417  -2.707
  274   HG13  ILE  38          HG11      ILE  38  -9.740   0.246  -0.959
  275   HG21  ILE  38          HG21      ILE  38  -9.956  -2.519  -3.421
  276   HG22  ILE  38          HG22      ILE  38 -11.096  -1.322  -4.048
  277   HG23  ILE  38          HG23      ILE  38 -11.696  -2.768  -3.237
  278   HD11  ILE  38          HD11      ILE  38  -8.195  -1.629  -1.226
  279   HD12  ILE  38          HD12      ILE  38  -7.589  -0.166  -1.999
  280   HD13  ILE  38          HD13      ILE  38  -8.290  -1.456  -2.980
  281    H    GLY  39           HN       GLY  39 -13.186   1.629  -0.998
  282    HA2  GLY  39           HA2      GLY  39 -13.721   2.691   0.984
  283    HA3  GLY  39           HA1      GLY  39 -13.665   1.114   1.754
  284    H    TYR  40           HN       TYR  40 -11.111   2.955   0.153
  285    HA   TYR  40           HA       TYR  40  -9.723   3.132   2.725
  286    HB2  TYR  40           HB2      TYR  40  -8.831   1.899   0.236
  287    HB3  TYR  40           HB1      TYR  40  -7.703   3.102   0.854
  288    HD1  TYR  40           HD1      TYR  40  -6.713   2.844   3.044
  289    HD2  TYR  40           HD2      TYR  40  -9.150  -0.207   1.373
  290    HE1  TYR  40           HE1      TYR  40  -5.833   1.269   4.687
  291    HE2  TYR  40           HE2      TYR  40  -8.264  -1.815   3.025
  292    HH   TYR  40           HH       TYR  40  -6.372  -2.081   4.463
  293    H    ASP  41           HN       ASP  41  -8.992   5.045   3.241
  294    HA   ASP  41           HA       ASP  41  -9.082   7.174   1.195
  295    HB2  ASP  41           HB2      ASP  41  -8.874   7.494   4.199
  296    HB3  ASP  41           HB1      ASP  41  -9.046   8.789   3.024
  297    H    SER  42           HN       SER  42  -7.379   8.834   1.455
  298    HA   SER  42           HA       SER  42  -4.810   7.802   1.123
  299    HB2  SER  42           HB2      SER  42  -4.168  10.219   1.395
  300    HB3  SER  42           HB1      SER  42  -5.443   9.914   0.206
  301    H    LEU  43           HN       LEU  43  -6.419   9.230   3.819
  302    HA   LEU  43           HA       LEU  43  -4.376   9.403   5.693
  303    HB2  LEU  43           HB2      LEU  43  -7.293   8.805   6.117
  304    HB3  LEU  43           HB1      LEU  43  -6.184   9.334   7.362
  305    HG   LEU  43           HG       LEU  43  -6.958  10.947   4.931
  306   HD11  LEU  43          HD11      LEU  43  -8.813  10.690   6.471
  307   HD12  LEU  43          HD12      LEU  43  -8.185  12.341   6.513
  308   HD13  LEU  43          HD13      LEU  43  -7.792  11.213   7.808
  309   HD21  LEU  43          HD21      LEU  43  -5.316  11.683   7.357
  310   HD22  LEU  43          HD22      LEU  43  -5.808  12.788   6.072
  311   HD23  LEU  43          HD23      LEU  43  -4.703  11.461   5.719
  312    H    ALA  44           HN       ALA  44  -6.583   6.727   4.967
  313    HA   ALA  44           HA       ALA  44  -5.479   4.975   6.910
  314    HB1  ALA  44           HB1      ALA  44  -7.755   4.704   6.066
  315    HB2  ALA  44           HB2      ALA  44  -6.793   3.248   5.804
  316    HB3  ALA  44           HB3      ALA  44  -7.118   4.343   4.462
  317    H    LEU  45           HN       LEU  45  -4.858   5.661   3.555
  318    HA   LEU  45           HA       LEU  45  -3.121   3.506   3.042
  319    HB2  LEU  45           HB2      LEU  45  -3.284   6.233   1.779
  320    HB3  LEU  45           HB1      LEU  45  -2.316   4.910   1.154
  321    HG   LEU  45           HG       LEU  45  -5.308   4.838   1.476
  322   HD11  LEU  45          HD11      LEU  45  -5.379   4.989  -0.958
  323   HD12  LEU  45          HD12      LEU  45  -3.630   5.216  -0.991
  324   HD13  LEU  45          HD13      LEU  45  -4.662   6.431  -0.236
  325   HD21  LEU  45          HD21      LEU  45  -3.373   2.942   0.165
  326   HD22  LEU  45          HD22      LEU  45  -5.131   2.802   0.134
  327   HD23  LEU  45          HD23      LEU  45  -4.260   2.659   1.664
  328    H    MET  46           HN       MET  46  -2.610   6.685   4.397
  329    HA   MET  46           HA       MET  46   0.217   6.564   4.569
  330    HB2  MET  46           HB2      MET  46  -1.744   8.000   6.381
  331    HB3  MET  46           HB1      MET  46  -0.006   8.235   6.411
  332    HG2  MET  46           HG2      MET  46  -0.067   9.155   4.157
  333    HG3  MET  46           HG1      MET  46  -1.799   8.802   4.080
  334    HE1  MET  46           HE1      MET  46  -0.610  11.685   3.445
  335    HE2  MET  46           HE2      MET  46  -1.780  12.709   4.281
  336    HE3  MET  46           HE3      MET  46  -2.327  11.295   3.384
  337    H    GLU  47           HN       GLU  47  -2.376   5.444   6.608
  338    HA   GLU  47           HA       GLU  47  -0.869   4.543   8.807
  339    HB2  GLU  47           HB2      GLU  47  -3.282   4.841   8.899
  340    HB3  GLU  47           HB1      GLU  47  -3.514   3.632   7.660
  341    HG2  GLU  47           HG2      GLU  47  -4.118   2.799   9.879
  342    HG3  GLU  47           HG1      GLU  47  -2.806   1.876   9.158
  343    H    THR  48           HN       THR  48  -2.049   2.836   5.893
  344    HA   THR  48           HA       THR  48  -0.892   0.354   6.224
  345    HB   THR  48           HB       THR  48  -1.053   1.887   3.607
  346    HG1  THR  48           HG1      THR  48  -3.121   0.437   4.958
  347   HG21  THR  48          HG21      THR  48   0.040  -0.319   3.500
  348   HG22  THR  48          HG22      THR  48  -1.508  -0.332   2.654
  349   HG23  THR  48          HG23      THR  48  -1.375  -1.054   4.255
  350    H    ALA  49           HN       ALA  49   0.426   3.195   4.491
  351    HA   ALA  49           HA       ALA  49   2.915   2.174   3.824
  352    HB1  ALA  49           HB1      ALA  49   1.964   4.215   2.849
  353    HB2  ALA  49           HB2      ALA  49   3.603   4.473   3.448
  354    HB3  ALA  49           HB3      ALA  49   2.223   5.057   4.378
  355    H    ALA  50           HN       ALA  50   2.065   4.177   6.654
  356    HA   ALA  50           HA       ALA  50   4.581   4.386   7.813
  357    HB1  ALA  50           HB1      ALA  50   3.416   4.883   9.883
  358    HB2  ALA  50           HB2      ALA  50   1.925   4.212   9.221
  359    HB3  ALA  50           HB3      ALA  50   2.624   5.673   8.518
  360    H    ARG  51           HN       ARG  51   2.155   1.886   8.173
  361    HA   ARG  51           HA       ARG  51   3.508   0.441  10.190
  362    HB2  ARG  51           HB2      ARG  51   1.092   0.278   9.710
  363    HB3  ARG  51           HB1      ARG  51   1.472  -0.505   8.185
  364    HG2  ARG  51           HG2      ARG  51   2.442  -2.377   9.356
  365    HG3  ARG  51           HG1      ARG  51   2.148  -1.578  10.908
  366    HD2  ARG  51           HD2      ARG  51  -0.249  -1.532  10.401
  367    HD3  ARG  51           HD1      ARG  51   0.110  -2.361   8.883
  368    HE   ARG  51           HE       ARG  51   1.127  -4.083  10.494
  369   HH11  ARG  51          HH11      ARG  51  -1.801  -2.201  11.046
  370   HH12  ARG  51          HH12      ARG  51  -2.660  -3.408  11.867
  371   HH21  ARG  51          HH21      ARG  51  -0.028  -5.829  11.633
  372   HH22  ARG  51          HH22      ARG  51  -1.634  -5.563  12.169
  373    H    LEU  52           HN       LEU  52   3.241   0.064   6.683
  374    HA   LEU  52           HA       LEU  52   5.004  -2.107   6.505
  375    HB2  LEU  52           HB2      LEU  52   4.248  -0.053   4.441
  376    HB3  LEU  52           HB1      LEU  52   5.167  -1.504   4.090
  377    HG   LEU  52           HG       LEU  52   2.355  -1.464   5.191
  378   HD11  LEU  52          HD11      LEU  52   3.347  -2.125   2.431
  379   HD12  LEU  52          HD12      LEU  52   2.478  -0.665   2.892
  380   HD13  LEU  52          HD13      LEU  52   1.680  -2.231   2.994
  381   HD21  LEU  52          HD21      LEU  52   2.389  -3.869   4.718
  382   HD22  LEU  52          HD22      LEU  52   3.612  -3.425   5.906
  383   HD23  LEU  52          HD23      LEU  52   4.082  -3.755   4.240
  384    H    GLU  53           HN       GLU  53   5.656   1.361   6.558
  385    HA   GLU  53           HA       GLU  53   8.372   1.305   5.907
  386    HB2  GLU  53           HB2      GLU  53   6.973   3.030   7.954
  387    HB3  GLU  53           HB1      GLU  53   8.621   3.280   7.415
  388    HG2  GLU  53           HG2      GLU  53   7.760   3.669   5.140
  389    HG3  GLU  53           HG1      GLU  53   6.118   3.520   5.781
  390    H    SER  54           HN       SER  54   6.733   0.948   8.966
  391    HA   SER  54           HA       SER  54   8.964   0.539  10.624
  392    HB2  SER  54           HB2      SER  54   6.681   1.209  11.387
  393    HB3  SER  54           HB1      SER  54   6.078  -0.376  10.936
  394    HG   SER  54           HG       SER  54   8.037   0.202  12.917
  395    H    ARG  55           HN       ARG  55   6.752  -1.648   8.983
  396    HA   ARG  55           HA       ARG  55   7.770  -4.055   9.972
  397    HB2  ARG  55           HB2      ARG  55   5.521  -3.909   9.189
  398    HB3  ARG  55           HB1      ARG  55   6.044  -3.426   7.587
  399    HG2  ARG  55           HG2      ARG  55   7.026  -5.637   7.253
  400    HG3  ARG  55           HG1      ARG  55   6.487  -6.111   8.864
  401    HD2  ARG  55           HD2      ARG  55   4.198  -5.951   8.238
  402    HD3  ARG  55           HD1      ARG  55   4.600  -5.139   6.721
  403    HE   ARG  55           HE       ARG  55   5.774  -7.729   7.059
  404   HH11  ARG  55          HH11      ARG  55   2.707  -6.206   5.999
  405   HH12  ARG  55          HH12      ARG  55   2.561  -7.247   4.665
  406   HH21  ARG  55          HH21      ARG  55   5.433  -9.171   5.287
  407   HH22  ARG  55          HH22      ARG  55   4.133  -8.944   4.226
  408    H    TYR  56           HN       TYR  56   8.345  -2.476   6.787
  409    HA   TYR  56           HA       TYR  56  10.262  -4.588   6.185
  410    HB2  TYR  56           HB2      TYR  56   8.783  -2.648   4.482
  411    HB3  TYR  56           HB1      TYR  56  10.302  -3.312   3.889
  412    HD1  TYR  56           HD1      TYR  56   6.881  -4.097   4.924
  413    HD2  TYR  56           HD2      TYR  56  10.443  -5.627   3.180
  414    HE1  TYR  56           HE1      TYR  56   5.646  -6.071   4.176
  415    HE2  TYR  56           HE2      TYR  56   9.218  -7.618   2.426
  416    HH   TYR  56           HH       TYR  56   7.189  -8.865   2.913
  417    H    GLY  57           HN       GLY  57  10.358  -1.374   7.273
  418    HA2  GLY  57           HA2      GLY  57  12.258  -0.240   7.936
  419    HA3  GLY  57           HA1      GLY  57  13.240  -1.453   7.125
  420    H    VAL  58           HN       VAL  58  10.755   0.859   6.130
  421    HA   VAL  58           HA       VAL  58  12.641   1.940   4.181
  422    HB   VAL  58           HB       VAL  58  10.789   2.309   2.531
  423   HG11  VAL  58          HG11      VAL  58  11.321  -0.562   3.246
  424   HG12  VAL  58          HG12      VAL  58  12.319   0.472   2.215
  425   HG13  VAL  58          HG13      VAL  58  10.689   0.014   1.704
  426   HG21  VAL  58          HG21      VAL  58   9.232   0.456   4.333
  427   HG22  VAL  58          HG22      VAL  58   8.727   0.986   2.729
  428   HG23  VAL  58          HG23      VAL  58   8.883   2.159   4.037
  429    H    SER  59           HN       SER  59  11.640   4.067   3.200
  430    HA   SER  59           HA       SER  59  10.361   5.566   5.359
  431    HB2  SER  59           HB2      SER  59  12.680   6.509   3.645
  432    HB3  SER  59           HB1      SER  59  11.891   7.422   4.933
  433    HG   SER  59           HG       SER  59  12.471   5.453   6.228
  434    H    ILE  60           HN       ILE  60   8.474   6.141   4.574
  435    HA   ILE  60           HA       ILE  60   8.271   7.093   1.791
  436    HB   ILE  60           HB       ILE  60   6.226   5.425   3.294
  437   HG12  ILE  60          HG12      ILE  60   7.846   4.733   0.826
  438   HG13  ILE  60          HG11      ILE  60   8.169   4.123   2.444
  439   HG21  ILE  60          HG21      ILE  60   4.922   5.469   1.209
  440   HG22  ILE  60          HG22      ILE  60   6.103   6.573   0.503
  441   HG23  ILE  60          HG23      ILE  60   5.138   7.083   1.889
  442   HD11  ILE  60          HD11      ILE  60   5.687   3.614   0.816
  443   HD12  ILE  60          HD12      ILE  60   5.999   2.998   2.439
  444   HD13  ILE  60          HD13      ILE  60   7.007   2.478   1.089
  445    HA   PRO  61           HA       PRO  61   6.866  10.689   4.169
  446    HB2  PRO  61           HB2      PRO  61   6.307  11.641   1.405
  447    HB3  PRO  61           HB1      PRO  61   7.204  12.433   2.704
  448    HG2  PRO  61           HG2      PRO  61   8.492  11.361   0.640
  449    HG3  PRO  61           HG1      PRO  61   9.142  11.233   2.284
  450    HD2  PRO  61           HD2      PRO  61   7.718   9.171   0.650
  451    HD3  PRO  61           HD1      PRO  61   9.108   8.980   1.738
  452    H    ASP  62           HN       ASP  62   4.903  11.589   4.585
  453    HA   ASP  62           HA       ASP  62   2.685   9.841   4.453
  454    HB2  ASP  62           HB2      ASP  62   2.694  12.773   5.205
  455    HB3  ASP  62           HB1      ASP  62   1.453  11.595   5.610
  456    H    ASP  63           HN       ASP  63   3.453  12.842   2.853
  457    HA   ASP  63           HA       ASP  63   1.104  13.441   1.488
  458    HB2  ASP  63           HB2      ASP  63   3.951  13.835   0.534
  459    HB3  ASP  63           HB1      ASP  63   2.538  14.626  -0.151
  460    H    VAL  64           HN       VAL  64   3.718  11.326   0.606
  461    HA   VAL  64           HA       VAL  64   3.068  10.696  -2.056
  462    HB   VAL  64           HB       VAL  64   4.400   9.000   0.029
  463   HG11  VAL  64          HG11      VAL  64   5.555   7.931  -1.913
  464   HG12  VAL  64          HG12      VAL  64   4.600   8.932  -3.005
  465   HG13  VAL  64          HG13      VAL  64   3.804   7.726  -1.993
  466   HG21  VAL  64          HG21      VAL  64   5.484  11.149  -0.138
  467   HG22  VAL  64          HG22      VAL  64   5.604  10.991  -1.891
  468   HG23  VAL  64          HG23      VAL  64   6.524   9.912  -0.840
  469    H    ALA  65           HN       ALA  65   2.311   9.069   0.999
  470    HA   ALA  65           HA       ALA  65   0.919   6.892  -0.125
  471    HB1  ALA  65           HB1      ALA  65   0.656   8.064   2.638
  472    HB2  ALA  65           HB2      ALA  65   1.844   6.861   2.141
  473    HB3  ALA  65           HB3      ALA  65   0.125   6.459   2.140
  474    H    GLY  66           HN       GLY  66  -0.016  10.137   0.415
  475    HA2  GLY  66           HA2      GLY  66  -2.857   9.566   0.293
  476    HA3  GLY  66           HA1      GLY  66  -2.112  11.157   0.361
  477    H    ARG  67           HN       ARG  67  -0.395   9.698  -1.943
  478    HA   ARG  67           HA       ARG  67  -2.092  10.799  -4.072
  479    HB2  ARG  67           HB2      ARG  67   0.887  10.498  -3.873
  480    HB3  ARG  67           HB1      ARG  67   0.046  11.017  -5.328
  481    HG2  ARG  67           HG2      ARG  67  -0.792  12.968  -4.171
  482    HG3  ARG  67           HG1      ARG  67  -0.048  12.415  -2.668
  483    HD2  ARG  67           HD2      ARG  67   2.149  12.567  -3.702
  484    HD3  ARG  67           HD1      ARG  67   1.405  13.105  -5.209
  485    HE   ARG  67           HE       ARG  67   0.493  14.963  -3.706
  486   HH11  ARG  67          HH11      ARG  67   3.688  13.461  -3.368
  487   HH12  ARG  67          HH12      ARG  67   4.448  14.847  -2.769
  488   HH21  ARG  67          HH21      ARG  67   1.579  16.935  -2.953
  489   HH22  ARG  67          HH22      ARG  67   3.239  16.880  -2.570
  490    H    VAL  68           HN       VAL  68  -1.442   7.876  -2.858
  491    HA   VAL  68           HA       VAL  68  -0.911   6.633  -5.407
  492    HB   VAL  68           HB       VAL  68  -1.026   4.437  -4.182
  493   HG11  VAL  68          HG11      VAL  68   1.032   4.740  -2.883
  494   HG12  VAL  68          HG12      VAL  68   0.822   6.487  -2.976
  495   HG13  VAL  68          HG13      VAL  68   1.100   5.553  -4.445
  496   HG21  VAL  68          HG21      VAL  68  -1.369   6.158  -1.723
  497   HG22  VAL  68          HG22      VAL  68  -1.066   4.417  -1.731
  498   HG23  VAL  68          HG23      VAL  68  -2.573   5.055  -2.390
  499    H    ASP  69           HN       ASP  69  -2.438   6.691  -6.772
  500    HA   ASP  69           HA       ASP  69  -5.234   6.741  -6.174
  501    HB2  ASP  69           HB2      ASP  69  -4.225   7.829  -8.181
  502    HB3  ASP  69           HB1      ASP  69  -3.848   6.236  -8.807
  503    H    THR  70           HN       THR  70  -2.978   4.298  -7.320
  504    HA   THR  70           HA       THR  70  -5.058   2.248  -7.042
  505    HB   THR  70           HB       THR  70  -3.911   1.059  -8.885
  506    HG1  THR  70           HG1      THR  70  -2.422   2.288 -10.143
  507   HG21  THR  70          HG21      THR  70  -4.673   2.515 -10.729
  508   HG22  THR  70          HG22      THR  70  -4.785   3.865  -9.594
  509   HG23  THR  70          HG23      THR  70  -5.851   2.474  -9.413
  510    HA   PRO  71           HA       PRO  71  -2.031   0.079  -4.513
  511    HB2  PRO  71           HB2      PRO  71  -2.861  -2.396  -5.930
  512    HB3  PRO  71           HB1      PRO  71  -2.895  -2.030  -4.200
  513    HG2  PRO  71           HG2      PRO  71  -5.147  -2.101  -5.586
  514    HG3  PRO  71           HG1      PRO  71  -4.889  -0.842  -4.358
  515    HD2  PRO  71           HD2      PRO  71  -4.594  -0.667  -7.339
  516    HD3  PRO  71           HD1      PRO  71  -5.402   0.459  -6.230
  517    H    ARG  72           HN       ARG  72  -2.143  -0.166  -7.969
  518    HA   ARG  72           HA       ARG  72   0.327  -1.465  -8.371
  519    HB2  ARG  72           HB2      ARG  72  -1.134  -1.329 -10.231
  520    HB3  ARG  72           HB1      ARG  72  -1.305   0.408 -10.069
  521    HG2  ARG  72           HG2      ARG  72   0.773   0.821 -11.048
  522    HG3  ARG  72           HG1      ARG  72   1.336  -0.830 -10.762
  523    HD2  ARG  72           HD2      ARG  72  -0.935  -0.108 -12.611
  524    HD3  ARG  72           HD1      ARG  72   0.734  -0.369 -13.141
  525    HE   ARG  72           HE       ARG  72   0.409  -2.576 -11.882
  526   HH11  ARG  72          HH11      ARG  72  -2.130  -1.036 -13.877
  527   HH12  ARG  72          HH12      ARG  72  -2.851  -2.498 -14.329
  528   HH21  ARG  72          HH21      ARG  72  -0.556  -4.571 -12.546
  529   HH22  ARG  72          HH22      ARG  72  -1.923  -4.602 -13.546
  530    H    GLU  73           HN       GLU  73  -0.555   1.923  -8.034
  531    HA   GLU  73           HA       GLU  73   2.022   3.044  -8.332
  532    HB2  GLU  73           HB2      GLU  73  -0.139   4.303  -8.420
  533    HB3  GLU  73           HB1      GLU  73  -0.334   4.036  -6.697
  534    HG2  GLU  73           HG2      GLU  73   0.438   6.250  -7.019
  535    HG3  GLU  73           HG1      GLU  73   1.774   5.334  -6.335
  536    H    LEU  74           HN       LEU  74   0.135   1.958  -5.595
  537    HA   LEU  74           HA       LEU  74   1.913   2.631  -3.516
  538    HB2  LEU  74           HB2      LEU  74  -0.576   2.074  -3.397
  539    HB3  LEU  74           HB1      LEU  74  -0.135   0.395  -3.534
  540    HG   LEU  74           HG       LEU  74   0.700   2.170  -1.216
  541   HD11  LEU  74          HD11      LEU  74  -1.718   1.999  -1.316
  542   HD12  LEU  74          HD12      LEU  74  -1.077   1.072   0.040
  543   HD13  LEU  74          HD13      LEU  74  -1.601   0.242  -1.425
  544   HD21  LEU  74          HD21      LEU  74   1.126   0.056  -0.069
  545   HD22  LEU  74          HD22      LEU  74   2.100   0.166  -1.538
  546   HD23  LEU  74          HD23      LEU  74   0.650  -0.835  -1.514
  547    H    LEU  75           HN       LEU  75   1.399  -0.438  -5.272
  548    HA   LEU  75           HA       LEU  75   3.313  -2.017  -4.007
  549    HB2  LEU  75           HB2      LEU  75   1.640  -2.930  -5.541
  550    HB3  LEU  75           HB1      LEU  75   2.389  -2.097  -6.886
  551    HG   LEU  75           HG       LEU  75   4.445  -3.528  -6.519
  552   HD11  LEU  75          HD11      LEU  75   4.233  -5.543  -5.212
  553   HD12  LEU  75          HD12      LEU  75   2.643  -5.029  -4.656
  554   HD13  LEU  75          HD13      LEU  75   4.075  -4.103  -4.206
  555   HD21  LEU  75          HD21      LEU  75   2.820  -4.051  -8.258
  556   HD22  LEU  75          HD22      LEU  75   1.862  -4.969  -7.097
  557   HD23  LEU  75          HD23      LEU  75   3.476  -5.523  -7.542
  558    H    ASP  76           HN       ASP  76   3.558  -0.058  -6.940
  559    HA   ASP  76           HA       ASP  76   6.190  -0.684  -7.631
  560    HB2  ASP  76           HB2      ASP  76   4.628   0.504  -9.123
  561    HB3  ASP  76           HB1      ASP  76   4.737   1.926  -8.091
  562    H    LEU  77           HN       LEU  77   4.926   1.928  -5.666
  563    HA   LEU  77           HA       LEU  77   7.216   3.354  -5.068
  564    HB2  LEU  77           HB2      LEU  77   5.008   4.100  -4.477
  565    HB3  LEU  77           HB1      LEU  77   4.790   2.742  -3.399
  566    HG   LEU  77           HG       LEU  77   6.581   3.671  -1.950
  567   HD11  LEU  77          HD11      LEU  77   6.389   6.062  -3.775
  568   HD12  LEU  77          HD12      LEU  77   7.781   4.994  -3.593
  569   HD13  LEU  77          HD13      LEU  77   7.254   5.993  -2.239
  570   HD21  LEU  77          HD21      LEU  77   4.219   5.460  -2.493
  571   HD22  LEU  77          HD22      LEU  77   5.184   5.444  -1.017
  572   HD23  LEU  77          HD23      LEU  77   4.229   4.030  -1.460
  573    H    ILE  78           HN       ILE  78   5.728   0.817  -3.114
  574    HA   ILE  78           HA       ILE  78   7.852   0.706  -1.250
  575    HB   ILE  78           HB       ILE  78   5.560  -1.194  -1.755
  576   HG12  ILE  78          HG12      ILE  78   6.007   1.010   0.268
  577   HG13  ILE  78          HG11      ILE  78   4.893   1.045  -1.090
  578   HG21  ILE  78          HG21      ILE  78   7.492  -1.118   0.579
  579   HG22  ILE  78          HG22      ILE  78   7.368  -2.390  -0.643
  580   HG23  ILE  78          HG23      ILE  78   6.038  -2.119   0.477
  581   HD11  ILE  78          HD11      ILE  78   3.737   0.663   0.990
  582   HD12  ILE  78          HD12      ILE  78   4.737  -0.750   1.305
  583   HD13  ILE  78          HD13      ILE  78   3.607  -0.756  -0.054
  584    H    ASN  79           HN       ASN  79   6.871  -1.501  -3.852
  585    HA   ASN  79           HA       ASN  79   8.787  -3.493  -3.385
  586    HB2  ASN  79           HB2      ASN  79   6.752  -3.644  -4.874
  587    HB3  ASN  79           HB1      ASN  79   7.653  -2.736  -6.079
  588   HD21  ASN  79          HD21      ASN  79   7.189  -5.746  -4.522
  589   HD22  ASN  79          HD22      ASN  79   8.242  -6.673  -5.492
  590    H    GLY  80           HN       GLY  80   8.880  -0.630  -5.479
  591    HA2  GLY  80           HA2      GLY  80  11.427  -1.116  -6.597
  592    HA3  GLY  80           HA1      GLY  80  10.607   0.437  -6.534
  593    H    ALA  81           HN       ALA  81  10.381   0.530  -3.677
  594    HA   ALA  81           HA       ALA  81  12.930   1.631  -3.043
  595    HB1  ALA  81           HB1      ALA  81  10.565   1.087  -1.241
  596    HB2  ALA  81           HB2      ALA  81  10.846   2.576  -2.143
  597    HB3  ALA  81           HB3      ALA  81  11.950   2.107  -0.850
  598    H    LEU  82           HN       LEU  82  11.229  -1.319  -2.308
  599    HA   LEU  82           HA       LEU  82  12.936  -2.317  -0.307
  600    HB2  LEU  82           HB2      LEU  82  11.038  -3.693  -2.171
  601    HB3  LEU  82           HB1      LEU  82  11.933  -4.539  -0.928
  602    HG   LEU  82           HG       LEU  82   9.921  -2.345  -0.461
  603   HD11  LEU  82          HD11      LEU  82   8.550  -4.145   0.467
  604   HD12  LEU  82          HD12      LEU  82   9.778  -5.321  -0.005
  605   HD13  LEU  82          HD13      LEU  82   8.905  -4.414  -1.237
  606   HD21  LEU  82          HD21      LEU  82  11.679  -2.359   1.228
  607   HD22  LEU  82          HD22      LEU  82  11.439  -4.089   1.474
  608   HD23  LEU  82          HD23      LEU  82  10.161  -2.954   1.901
  609    H    ALA  83           HN       ALA  83  13.378  -2.130  -3.678
  610    HA   ALA  83           HA       ALA  83  15.204  -4.323  -3.893
  611    HB1  ALA  83           HB1      ALA  83  14.839  -1.941  -5.711
  612    HB2  ALA  83           HB2      ALA  83  13.969  -3.471  -5.831
  613    HB3  ALA  83           HB3      ALA  83  15.711  -3.422  -6.107
  614    H    GLU  84           HN       GLU  84  15.413  -1.429  -2.394
  615    HA   GLU  84           HA       GLU  84  18.360  -1.494  -2.361
  616    HB2  GLU  84           HB2      GLU  84  17.570   0.531  -3.532
  617    HB3  GLU  84           HB1      GLU  84  16.535   0.925  -2.169
  618    HG2  GLU  84           HG2      GLU  84  18.423   2.334  -2.035
  619    HG3  GLU  84           HG1      GLU  84  18.602   1.124  -0.772
  620    H    ALA  85           HN       ALA  85  15.460  -0.325  -0.696
  621    HA   ALA  85           HA       ALA  85  14.852  -0.042   1.389
  622    HB1  ALA  85           HB1      ALA  85  15.066  -1.927   2.916
  623    HB2  ALA  85           HB2      ALA  85  16.358  -2.611   1.930
  624    HB3  ALA  85           HB3      ALA  85  14.718  -2.510   1.288
  625    H    ALA  86           HN       ALA  86  16.227   1.821   1.306
  626    HA   ALA  86           HA       ALA  86  18.067   1.793   3.548
  627    HB1  ALA  86           HB1      ALA  86  18.658   3.035   0.850
  628    HB2  ALA  86           HB2      ALA  86  19.470   1.629   1.536
  629    HB3  ALA  86           HB3      ALA  86  19.647   3.210   2.298
  630    H28  SXV  87          H28A      SXV  87  -5.751  13.915   2.866
  631   H28A  SXV  87          H28B      SXV  87  -4.463  12.711   2.809
  632    H30  SXV  87          H30C      SXV  87  -4.094  15.400   3.887
  633   H30A  SXV  87          H30A      SXV  87  -2.588  15.789   3.058
  634   H30B  SXV  87          H30B      SXV  87  -2.850  14.164   3.693
  635    H31  SXV  87          H31C      SXV  87  -2.189  14.859   0.686
  636   H31A  SXV  87          H31A      SXV  87  -3.249  13.548   0.158
  637   H31B  SXV  87          H31B      SXV  87  -2.230  13.341   1.577
  638    H32  SXV  87          H32A      SXV  87  -3.919  16.610   0.970
  639   HO33  SXV  87          H33A      SXV  87  -6.397  16.376   1.752
  640   HN36  SXV  87          H36A      SXV  87  -4.003  14.988  -1.033
  641    H37  SXV  87          H37B      SXV  87  -5.787  15.591  -2.868
  642   H37A  SXV  87          H37A      SXV  87  -6.685  14.370  -1.969
  643    H38  SXV  87          H38B      SXV  87  -4.883  12.753  -2.371
  644   H38A  SXV  87          H38A      SXV  87  -4.004  13.963  -3.293
  645   HN41  SXV  87          H41A      SXV  87  -7.043  14.663  -4.069
  646    H42  SXV  87          H42B      SXV  87  -8.198  12.779  -5.614
  647   H42A  SXV  87          H42A      SXV  87  -7.002  13.518  -6.674
  648    H43  SXV  87          H43B      SXV  87  -7.990  15.655  -6.340
  649   H43A  SXV  87          H43A      SXV  87  -9.307  14.560  -6.724
  650    H1   SXV  87           H1B      SXV  87 -10.964  13.588  -4.887
  651    H1A  SXV  87           H1A      SXV  87  -9.581  12.943  -3.986
  652    H2   SXV  87           H2A      SXV  87 -11.634  12.895  -2.708
  653    H2A  SXV  87           H2B      SXV  87 -11.676  14.662  -2.727
  654    H4   SXV  87           H4C      SXV  87  -9.094  12.201  -0.629
  655    H4A  SXV  87           H4A      SXV  87 -10.774  11.860  -1.059
  656    H4B  SXV  87           H4B      SXV  87 -10.407  12.876   0.343
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  20.770 -10.665  -1.779
    2    H2   MET   1           HT2      MET   1  19.581 -10.094  -0.678
    3    H3   MET   1           HT3      MET   1  20.674  -9.032  -1.337
    4    HA   MET   1           HA       MET   1  19.770  -9.290  -3.511
    5    HB2  MET   1           HB2      MET   1  17.787 -10.677  -3.889
    6    HB3  MET   1           HB1      MET   1  19.089 -11.679  -3.267
    7    HG2  MET   1           HG2      MET   1  18.071 -11.616  -1.042
    8    HG3  MET   1           HG1      MET   1  16.777 -10.598  -1.662
    9    HE1  MET   1           HE1      MET   1  18.434 -14.155  -1.726
   10    HE2  MET   1           HE2      MET   1  18.498 -13.689  -3.426
   11    HE3  MET   1           HE3      MET   1  17.438 -15.000  -2.910
   12    H    ALA   2           HN       ALA   2  17.838  -8.086  -4.129
   13    HA   ALA   2           HA       ALA   2  16.876  -6.457  -1.926
   14    HB1  ALA   2           HB1      ALA   2  15.854  -5.067  -3.678
   15    HB2  ALA   2           HB2      ALA   2  16.352  -6.239  -4.896
   16    HB3  ALA   2           HB3      ALA   2  17.568  -5.330  -4.002
   17    H    THR   3           HN       THR   3  15.328  -7.447  -0.789
   18    HA   THR   3           HA       THR   3  13.595  -9.371  -1.910
   19    HB   THR   3           HB       THR   3  12.660  -9.093   0.508
   20    HG1  THR   3           HG1      THR   3  13.575  -7.577   1.611
   21   HG21  THR   3          HG21      THR   3  14.081 -10.961  -0.219
   22   HG22  THR   3          HG22      THR   3  14.526 -10.427   1.403
   23   HG23  THR   3          HG23      THR   3  15.514  -9.961   0.018
   24    H    LEU   4           HN       LEU   4  12.028  -8.651  -3.204
   25    HA   LEU   4           HA       LEU   4  10.675  -6.128  -2.575
   26    HB2  LEU   4           HB2      LEU   4  10.510  -7.820  -5.074
   27    HB3  LEU   4           HB1      LEU   4   9.827  -6.224  -4.853
   28    HG   LEU   4           HG       LEU   4  12.767  -6.892  -4.948
   29   HD11  LEU   4          HD11      LEU   4  12.758  -5.641  -7.042
   30   HD12  LEU   4          HD12      LEU   4  11.007  -5.455  -6.921
   31   HD13  LEU   4          HD13      LEU   4  11.714  -7.060  -7.117
   32   HD21  LEU   4          HD21      LEU   4  13.127  -4.471  -4.928
   33   HD22  LEU   4          HD22      LEU   4  12.339  -5.021  -3.449
   34   HD23  LEU   4          HD23      LEU   4  11.397  -4.216  -4.702
   35    H    LEU   5           HN       LEU   5   8.529  -6.126  -2.036
   36    HA   LEU   5           HA       LEU   5   7.410  -8.706  -1.466
   37    HB2  LEU   5           HB2      LEU   5   5.536  -7.468  -0.366
   38    HB3  LEU   5           HB1      LEU   5   7.107  -7.139   0.310
   39    HG   LEU   5           HG       LEU   5   7.059  -4.938  -0.992
   40   HD11  LEU   5          HD11      LEU   5   4.140  -5.626  -1.279
   41   HD12  LEU   5          HD12      LEU   5   5.303  -5.468  -2.594
   42   HD13  LEU   5          HD13      LEU   5   4.877  -4.060  -1.619
   43   HD21  LEU   5          HD21      LEU   5   5.643  -3.848   0.667
   44   HD22  LEU   5          HD22      LEU   5   6.690  -5.068   1.395
   45   HD23  LEU   5          HD23      LEU   5   4.982  -5.416   1.128
   46    H    THR   6           HN       THR   6   5.386  -9.439  -2.190
   47    HA   THR   6           HA       THR   6   5.095  -8.740  -4.982
   48    HB   THR   6           HB       THR   6   3.741 -10.820  -5.110
   49    HG1  THR   6           HG1      THR   6   4.412 -11.034  -2.324
   50   HG21  THR   6          HG21      THR   6   6.428 -11.164  -3.759
   51   HG22  THR   6          HG22      THR   6   6.168 -10.930  -5.487
   52   HG23  THR   6          HG23      THR   6   5.591 -12.399  -4.698
   53    H    THR   7           HN       THR   7   2.600  -9.316  -5.620
   54    HA   THR   7           HA       THR   7   1.063  -7.132  -4.700
   55    HB   THR   7           HB       THR   7   0.177  -9.589  -6.259
   56    HG1  THR   7           HG1      THR   7   1.884  -8.639  -7.356
   57   HG21  THR   7          HG21      THR   7  -1.660  -8.206  -5.448
   58   HG22  THR   7          HG22      THR   7  -1.498  -8.041  -7.199
   59   HG23  THR   7          HG23      THR   7  -0.895  -6.774  -6.128
   60    H    ASP   8           HN       ASP   8   1.137 -10.602  -4.113
   61    HA   ASP   8           HA       ASP   8  -1.119 -10.910  -2.506
   62    HB2  ASP   8           HB2      ASP   8   0.244 -12.755  -3.486
   63    HB3  ASP   8           HB1      ASP   8   1.499 -12.407  -2.306
   64    H    ASP   9           HN       ASP   9   2.251 -10.191  -1.640
   65    HA   ASP   9           HA       ASP   9   1.956 -10.055   1.170
   66    HB2  ASP   9           HB2      ASP   9   3.849  -8.439  -0.573
   67    HB3  ASP   9           HB1      ASP   9   3.920  -8.484   1.174
   68    H    LEU  10           HN       LEU  10   1.693  -7.549  -1.298
   69    HA   LEU  10           HA       LEU  10   1.120  -5.395   0.391
   70    HB2  LEU  10           HB2      LEU  10   1.776  -5.131  -1.954
   71    HB3  LEU  10           HB1      LEU  10   0.259  -5.838  -2.467
   72    HG   LEU  10           HG       LEU  10  -0.936  -3.925  -1.420
   73   HD11  LEU  10          HD11      LEU  10   1.833  -2.804  -1.064
   74   HD12  LEU  10          HD12      LEU  10   0.718  -3.278   0.219
   75   HD13  LEU  10          HD13      LEU  10   0.325  -1.918  -0.836
   76   HD21  LEU  10          HD21      LEU  10  -0.357  -2.306  -3.160
   77   HD22  LEU  10          HD22      LEU  10  -0.462  -3.943  -3.805
   78   HD23  LEU  10          HD23      LEU  10   1.114  -3.209  -3.510
   79    H    ARG  11           HN       ARG  11  -1.024  -7.713  -1.191
   80    HA   ARG  11           HA       ARG  11  -3.512  -6.591  -0.559
   81    HB2  ARG  11           HB2      ARG  11  -3.136  -8.570  -2.028
   82    HB3  ARG  11           HB1      ARG  11  -2.846  -9.531  -0.583
   83    HG2  ARG  11           HG2      ARG  11  -5.190  -8.698   0.144
   84    HG3  ARG  11           HG1      ARG  11  -5.395  -8.323  -1.567
   85    HD2  ARG  11           HD2      ARG  11  -6.246 -10.524  -1.123
   86    HD3  ARG  11           HD1      ARG  11  -4.780 -10.655  -2.100
   87    HE   ARG  11           HE       ARG  11  -4.833 -11.017   0.808
   88   HH11  ARG  11          HH11      ARG  11  -3.814 -12.097  -2.418
   89   HH12  ARG  11          HH12      ARG  11  -2.704 -13.257  -1.809
   90   HH21  ARG  11          HH21      ARG  11  -3.352 -12.657   1.604
   91   HH22  ARG  11          HH22      ARG  11  -2.475 -13.616   0.499
   92    H    ARG  12           HN       ARG  12  -1.459  -8.778   1.243
   93    HA   ARG  12           HA       ARG  12  -3.150  -9.238   3.479
   94    HB2  ARG  12           HB2      ARG  12  -0.135  -9.095   3.566
   95    HB3  ARG  12           HB1      ARG  12  -1.187  -9.986   4.646
   96    HG2  ARG  12           HG2      ARG  12  -1.733 -11.532   2.871
   97    HG3  ARG  12           HG1      ARG  12  -0.759 -10.591   1.734
   98    HD2  ARG  12           HD2      ARG  12   1.181 -10.960   3.334
   99    HD3  ARG  12           HD1      ARG  12   0.164 -12.162   4.126
  100    HE   ARG  12           HE       ARG  12   0.271 -12.671   1.346
  101   HH11  ARG  12          HH11      ARG  12   2.260 -13.097   4.267
  102   HH12  ARG  12          HH12      ARG  12   3.300 -14.207   3.479
  103   HH21  ARG  12          HH21      ARG  12   1.600 -14.148   0.416
  104   HH22  ARG  12          HH22      ARG  12   2.911 -14.872   1.244
  105    H    ALA  13           HN       ALA  13  -0.501  -6.991   2.938
  106    HA   ALA  13           HA       ALA  13  -0.502  -5.716   5.417
  107    HB1  ALA  13           HB1      ALA  13   0.447  -4.696   2.769
  108    HB2  ALA  13           HB2      ALA  13   1.353  -5.742   3.865
  109    HB3  ALA  13           HB3      ALA  13   0.927  -4.104   4.358
  110    H    LEU  14           HN       LEU  14  -2.200  -4.940   2.441
  111    HA   LEU  14           HA       LEU  14  -3.024  -2.351   3.128
  112    HB2  LEU  14           HB2      LEU  14  -3.117  -3.453   0.847
  113    HB3  LEU  14           HB1      LEU  14  -4.541  -4.306   1.396
  114    HG   LEU  14           HG       LEU  14  -5.695  -2.130   1.704
  115   HD11  LEU  14          HD11      LEU  14  -3.740  -0.734   2.096
  116   HD12  LEU  14          HD12      LEU  14  -4.697  -0.111   0.754
  117   HD13  LEU  14          HD13      LEU  14  -3.206  -0.995   0.436
  118   HD21  LEU  14          HD21      LEU  14  -5.985  -1.644  -0.679
  119   HD22  LEU  14          HD22      LEU  14  -5.959  -3.383  -0.376
  120   HD23  LEU  14          HD23      LEU  14  -4.538  -2.584  -1.045
  121    H    VAL  15           HN       VAL  15  -4.496  -5.508   3.700
  122    HA   VAL  15           HA       VAL  15  -6.860  -4.489   4.899
  123    HB   VAL  15           HB       VAL  15  -5.603  -7.245   5.212
  124   HG11  VAL  15          HG11      VAL  15  -7.838  -8.001   5.901
  125   HG12  VAL  15          HG12      VAL  15  -8.420  -6.337   5.832
  126   HG13  VAL  15          HG13      VAL  15  -7.197  -6.793   7.016
  127   HG21  VAL  15          HG21      VAL  15  -7.783  -6.278   3.366
  128   HG22  VAL  15          HG22      VAL  15  -7.232  -7.947   3.526
  129   HG23  VAL  15          HG23      VAL  15  -6.137  -6.713   2.902
  130    H    GLU  16           HN       GLU  16  -3.667  -5.191   6.065
  131    HA   GLU  16           HA       GLU  16  -4.196  -5.114   8.849
  132    HB2  GLU  16           HB2      GLU  16  -1.553  -4.426   7.477
  133    HB3  GLU  16           HB1      GLU  16  -1.823  -4.753   9.162
  134    HG2  GLU  16           HG2      GLU  16  -2.520  -7.015   8.716
  135    HG3  GLU  16           HG1      GLU  16  -2.306  -6.753   6.987
  136    H    SER  17           HN       SER  17  -4.285  -2.696   6.544
  137    HA   SER  17           HA       SER  17  -3.566  -0.545   8.373
  138    HB2  SER  17           HB2      SER  17  -4.677  -0.336   5.599
  139    HB3  SER  17           HB1      SER  17  -3.687   0.836   6.476
  140    HG   SER  17           HG       SER  17  -2.600  -1.708   6.123
  141    H    ALA  18           HN       ALA  18  -6.329  -2.179   7.059
  142    HA   ALA  18           HA       ALA  18  -8.149  -0.068   7.881
  143    HB1  ALA  18           HB1      ALA  18  -9.877  -1.388   6.771
  144    HB2  ALA  18           HB2      ALA  18  -8.709  -2.674   6.467
  145    HB3  ALA  18           HB3      ALA  18  -8.512  -1.103   5.691
  146    H    GLY  19           HN       GLY  19  -7.518  -3.507   8.488
  147    HA2  GLY  19           HA2      GLY  19  -7.613  -4.531  10.568
  148    HA3  GLY  19           HA1      GLY  19  -8.466  -3.130  11.206
  149    H    GLU  20           HN       GLU  20 -10.634  -2.780  10.146
  150    HA   GLU  20           HA       GLU  20 -12.051  -5.325  10.214
  151    HB2  GLU  20           HB2      GLU  20 -12.810  -3.553  11.752
  152    HB3  GLU  20           HB1      GLU  20 -13.137  -2.511  10.375
  153    HG2  GLU  20           HG2      GLU  20 -14.850  -4.029   9.598
  154    HG3  GLU  20           HG1      GLU  20 -14.486  -5.143  10.917
  155    H    THR  21           HN       THR  21 -11.900  -6.153   8.282
  156    HA   THR  21           HA       THR  21 -13.098  -4.709   6.055
  157    HB   THR  21           HB       THR  21 -10.683  -6.549   5.954
  158    HG1  THR  21           HG1      THR  21 -10.957  -3.731   5.668
  159   HG21  THR  21          HG21      THR  21 -11.953  -4.827   3.809
  160   HG22  THR  21          HG22      THR  21 -12.040  -6.587   3.897
  161   HG23  THR  21          HG23      THR  21 -10.490  -5.793   3.617
  162    H    ASP  22           HN       ASP  22 -14.948  -5.729   6.550
  163    HA   ASP  22           HA       ASP  22 -15.205  -8.423   7.284
  164    HB2  ASP  22           HB2      ASP  22 -17.669  -7.975   7.109
  165    HB3  ASP  22           HB1      ASP  22 -16.777  -6.857   8.135
  166    H    GLY  23           HN       GLY  23 -17.166  -7.257   4.536
  167    HA2  GLY  23           HA2      GLY  23 -16.619  -9.836   3.267
  168    HA3  GLY  23           HA1      GLY  23 -18.005  -8.800   2.959
  169    H    THR  24           HN       THR  24 -14.943  -7.357   3.148
  170    HA   THR  24           HA       THR  24 -15.059  -6.716   0.325
  171    HB   THR  24           HB       THR  24 -13.173  -5.697   2.475
  172    HG1  THR  24           HG1      THR  24 -15.726  -4.895   1.568
  173   HG21  THR  24          HG21      THR  24 -13.925  -4.572  -0.241
  174   HG22  THR  24          HG22      THR  24 -12.382  -5.328   0.161
  175   HG23  THR  24          HG23      THR  24 -12.844  -3.806   0.923
  176    H    ASP  25           HN       ASP  25 -14.403  -8.632  -0.614
  177    HA   ASP  25           HA       ASP  25 -11.985  -9.937   0.251
  178    HB2  ASP  25           HB2      ASP  25 -13.726 -10.481  -2.171
  179    HB3  ASP  25           HB1      ASP  25 -12.337 -11.451  -1.696
  180    H    LEU  26           HN       LEU  26 -10.050  -9.713  -0.549
  181    HA   LEU  26           HA       LEU  26  -9.722  -7.658  -2.628
  182    HB2  LEU  26           HB2      LEU  26  -9.197  -7.147  -0.181
  183    HB3  LEU  26           HB1      LEU  26  -7.865  -8.264  -0.343
  184    HG   LEU  26           HG       LEU  26  -6.935  -6.822  -2.123
  185   HD11  LEU  26          HD11      LEU  26  -7.815  -4.531  -2.336
  186   HD12  LEU  26          HD12      LEU  26  -9.142  -4.947  -1.254
  187   HD13  LEU  26          HD13      LEU  26  -9.008  -5.732  -2.828
  188   HD21  LEU  26          HD21      LEU  26  -6.143  -5.085  -0.586
  189   HD22  LEU  26          HD22      LEU  26  -6.172  -6.677   0.181
  190   HD23  LEU  26          HD23      LEU  26  -7.439  -5.502   0.537
  191    H    SER  27           HN       SER  27  -9.303 -10.860  -1.830
  192    HA   SER  27           HA       SER  27  -6.760 -11.421  -2.993
  193    HB2  SER  27           HB2      SER  27  -9.081 -13.266  -2.418
  194    HB3  SER  27           HB1      SER  27  -7.433 -13.768  -2.793
  195    HG   SER  27           HG       SER  27  -8.287 -12.239  -0.553
  196    H    GLY  28           HN       GLY  28  -6.222 -12.024  -5.010
  197    HA2  GLY  28           HA2      GLY  28  -6.968 -13.196  -7.080
  198    HA3  GLY  28           HA1      GLY  28  -8.381 -12.146  -7.026
  199    H    ASP  29           HN       ASP  29  -8.273 -10.134  -7.848
  200    HA   ASP  29           HA       ASP  29  -5.647  -9.055  -8.488
  201    HB2  ASP  29           HB2      ASP  29  -6.444 -10.097 -10.598
  202    HB3  ASP  29           HB1      ASP  29  -7.923  -9.145 -10.496
  203    H    PHE  30           HN       PHE  30  -5.673  -7.449  -7.187
  204    HA   PHE  30           HA       PHE  30  -8.067  -5.726  -7.098
  205    HB2  PHE  30           HB2      PHE  30  -7.647  -5.265  -4.798
  206    HB3  PHE  30           HB1      PHE  30  -7.544  -7.010  -4.972
  207    HD1  PHE  30           HD2      PHE  30  -5.217  -8.056  -5.089
  208    HD2  PHE  30           HD1      PHE  30  -5.876  -4.024  -3.911
  209    HE1  PHE  30           HE2      PHE  30  -2.990  -7.985  -4.063
  210    HE2  PHE  30           HE1      PHE  30  -3.647  -3.952  -2.883
  211    HZ   PHE  30           HZ       PHE  30  -2.202  -5.936  -2.959
  212    H    LEU  31           HN       LEU  31  -4.892  -5.962  -8.171
  213    HA   LEU  31           HA       LEU  31  -3.703  -3.695  -7.230
  214    HB2  LEU  31           HB2      LEU  31  -2.857  -5.865  -8.333
  215    HB3  LEU  31           HB1      LEU  31  -3.172  -5.023  -9.841
  216    HG   LEU  31           HG       LEU  31  -1.821  -3.254  -9.123
  217   HD11  LEU  31          HD11      LEU  31  -0.177  -3.637  -7.234
  218   HD12  LEU  31          HD12      LEU  31  -1.054  -5.114  -6.846
  219   HD13  LEU  31          HD13      LEU  31  -1.856  -3.550  -6.702
  220   HD21  LEU  31          HD21      LEU  31   0.366  -4.392  -9.493
  221   HD22  LEU  31          HD22      LEU  31  -0.905  -4.899 -10.607
  222   HD23  LEU  31          HD23      LEU  31  -0.457  -5.933  -9.251
  223    H    ASP  32           HN       ASP  32  -6.206  -4.083  -9.482
  224    HA   ASP  32           HA       ASP  32  -5.629  -1.528 -10.817
  225    HB2  ASP  32           HB2      ASP  32  -5.868  -3.560 -12.242
  226    HB3  ASP  32           HB1      ASP  32  -7.523  -3.729 -11.674
  227    H    LEU  33           HN       LEU  33  -7.433  -2.642  -8.228
  228    HA   LEU  33           HA       LEU  33  -9.842  -1.290  -9.011
  229    HB2  LEU  33           HB2      LEU  33 -10.828  -1.919  -6.811
  230    HB3  LEU  33           HB1      LEU  33 -10.332  -3.260  -7.801
  231    HG   LEU  33           HG       LEU  33  -8.357  -3.574  -6.314
  232   HD11  LEU  33          HD11      LEU  33  -8.120  -1.307  -5.451
  233   HD12  LEU  33          HD12      LEU  33  -8.290  -2.479  -4.142
  234   HD13  LEU  33          HD13      LEU  33  -9.658  -1.464  -4.604
  235   HD21  LEU  33          HD21      LEU  33  -9.626  -4.496  -4.443
  236   HD22  LEU  33          HD22      LEU  33 -10.382  -4.859  -5.994
  237   HD23  LEU  33          HD23      LEU  33 -11.045  -3.591  -4.964
  238    H    ARG  34           HN       ARG  34 -10.963   0.056  -7.126
  239    HA   ARG  34           HA       ARG  34  -9.124   2.316  -6.903
  240    HB2  ARG  34           HB2      ARG  34 -12.147   2.266  -7.011
  241    HB3  ARG  34           HB1      ARG  34 -11.147   3.708  -6.909
  242    HG2  ARG  34           HG2      ARG  34 -11.217   1.745  -9.190
  243    HG3  ARG  34           HG1      ARG  34 -11.917   3.366  -9.174
  244    HD2  ARG  34           HD2      ARG  34  -8.991   2.759  -8.797
  245    HD3  ARG  34           HD1      ARG  34  -9.717   3.230 -10.344
  246    HE   ARG  34           HE       ARG  34 -10.315   5.114  -8.341
  247   HH11  ARG  34          HH11      ARG  34  -7.751   4.048 -10.541
  248   HH12  ARG  34          HH12      ARG  34  -6.763   5.418 -10.292
  249   HH21  ARG  34          HH21      ARG  34  -8.961   7.072  -8.056
  250   HH22  ARG  34          HH22      ARG  34  -7.463   7.140  -8.900
  251    H    PHE  35           HN       PHE  35  -8.899   3.342  -4.938
  252    HA   PHE  35           HA       PHE  35  -9.533   1.816  -2.620
  253    HB2  PHE  35           HB2      PHE  35  -8.298   4.556  -2.875
  254    HB3  PHE  35           HB1      PHE  35  -8.424   3.643  -1.372
  255    HD1  PHE  35           HD2      PHE  35  -7.401   1.245  -1.439
  256    HD2  PHE  35           HD1      PHE  35  -6.379   4.367  -4.143
  257    HE1  PHE  35           HE2      PHE  35  -5.280   0.117  -1.951
  258    HE2  PHE  35           HE1      PHE  35  -4.309   3.254  -4.670
  259    HZ   PHE  35           HZ       PHE  35  -3.719   1.125  -3.562
  260    H    GLU  36           HN       GLU  36 -10.931   4.564  -4.198
  261    HA   GLU  36           HA       GLU  36 -12.518   5.667  -2.172
  262    HB2  GLU  36           HB2      GLU  36 -12.138   6.479  -4.557
  263    HB3  GLU  36           HB1      GLU  36 -13.310   5.273  -5.056
  264    HG2  GLU  36           HG2      GLU  36 -14.477   7.289  -4.938
  265    HG3  GLU  36           HG1      GLU  36 -14.931   6.399  -3.485
  266    H    ASP  37           HN       ASP  37 -13.003   3.048  -4.407
  267    HA   ASP  37           HA       ASP  37 -15.717   2.511  -3.809
  268    HB2  ASP  37           HB2      ASP  37 -14.745   2.022  -5.974
  269    HB3  ASP  37           HB1      ASP  37 -13.651   0.857  -5.241
  270    H    ILE  38           HN       ILE  38 -12.716   1.341  -2.486
  271    HA   ILE  38           HA       ILE  38 -14.211  -0.726  -1.069
  272    HB   ILE  38           HB       ILE  38 -12.039  -1.734  -0.439
  273   HG12  ILE  38          HG12      ILE  38 -10.861   0.336  -2.321
  274   HG13  ILE  38          HG11      ILE  38 -10.679   0.352  -0.574
  275   HG21  ILE  38          HG21      ILE  38 -13.255  -2.527  -2.369
  276   HG22  ILE  38          HG22      ILE  38 -11.519  -2.580  -2.710
  277   HG23  ILE  38          HG23      ILE  38 -12.519  -1.276  -3.368
  278   HD11  ILE  38          HD11      ILE  38  -9.457  -1.761  -0.687
  279   HD12  ILE  38          HD12      ILE  38  -8.690  -0.508  -1.666
  280   HD13  ILE  38          HD13      ILE  38  -9.648  -1.773  -2.440
  281    H    GLY  39           HN       GLY  39 -13.758   2.252  -0.476
  282    HA2  GLY  39           HA2      GLY  39 -14.035   3.471   1.492
  283    HA3  GLY  39           HA1      GLY  39 -14.112   1.941   2.352
  284    H    TYR  40           HN       TYR  40 -11.524   3.419   0.430
  285    HA   TYR  40           HA       TYR  40  -9.847   3.439   2.840
  286    HB2  TYR  40           HB2      TYR  40  -9.263   2.517   0.075
  287    HB3  TYR  40           HB1      TYR  40  -7.985   3.311   0.973
  288    HD1  TYR  40           HD2      TYR  40 -10.420   0.488   1.258
  289    HD2  TYR  40           HD1      TYR  40  -6.642   2.087   2.330
  290    HE1  TYR  40           HE2      TYR  40  -9.808  -1.663   2.289
  291    HE2  TYR  40           HE1      TYR  40  -6.006  -0.007   3.355
  292    HH   TYR  40           HH       TYR  40  -6.898  -2.051   4.153
  293    H    ASP  41           HN       ASP  41  -9.509   5.475   3.406
  294    HA   ASP  41           HA       ASP  41  -9.361   7.554   1.385
  295    HB2  ASP  41           HB2      ASP  41  -9.016   7.638   4.398
  296    HB3  ASP  41           HB1      ASP  41  -8.776   9.037   3.366
  297    H    SER  42           HN       SER  42  -7.409   9.082   1.664
  298    HA   SER  42           HA       SER  42  -5.072   7.726   0.968
  299    HB2  SER  42           HB2      SER  42  -4.128  10.080   1.421
  300    HB3  SER  42           HB1      SER  42  -5.372   9.920   0.169
  301    H    LEU  43           HN       LEU  43  -6.237   9.178   3.903
  302    HA   LEU  43           HA       LEU  43  -4.048   8.937   5.588
  303    HB2  LEU  43           HB2      LEU  43  -6.966   8.639   6.278
  304    HB3  LEU  43           HB1      LEU  43  -5.683   8.935   7.430
  305    HG   LEU  43           HG       LEU  43  -6.521  10.827   5.232
  306   HD11  LEU  43          HD11      LEU  43  -8.203  10.654   6.974
  307   HD12  LEU  43          HD12      LEU  43  -7.380  12.212   7.048
  308   HD13  LEU  43          HD13      LEU  43  -6.976  10.946   8.207
  309   HD21  LEU  43          HD21      LEU  43  -5.039  12.423   6.343
  310   HD22  LEU  43          HD22      LEU  43  -4.145  11.014   5.773
  311   HD23  LEU  43          HD23      LEU  43  -4.540  11.174   7.483
  312    H    ALA  44           HN       ALA  44  -6.423   6.508   4.652
  313    HA   ALA  44           HA       ALA  44  -5.576   4.548   6.552
  314    HB1  ALA  44           HB1      ALA  44  -7.128   4.198   3.980
  315    HB2  ALA  44           HB2      ALA  44  -7.827   4.489   5.574
  316    HB3  ALA  44           HB3      ALA  44  -6.957   2.987   5.253
  317    H    LEU  45           HN       LEU  45  -4.881   5.267   3.215
  318    HA   LEU  45           HA       LEU  45  -3.184   3.080   2.659
  319    HB2  LEU  45           HB2      LEU  45  -3.226   5.840   1.438
  320    HB3  LEU  45           HB1      LEU  45  -2.468   4.423   0.738
  321    HG   LEU  45           HG       LEU  45  -5.423   4.726   1.241
  322   HD11  LEU  45          HD11      LEU  45  -3.853   4.904  -1.319
  323   HD12  LEU  45          HD12      LEU  45  -4.673   6.235  -0.503
  324   HD13  LEU  45          HD13      LEU  45  -5.611   4.905  -1.184
  325   HD21  LEU  45          HD21      LEU  45  -5.597   2.700  -0.114
  326   HD22  LEU  45          HD22      LEU  45  -4.671   2.426   1.361
  327   HD23  LEU  45          HD23      LEU  45  -3.838   2.602  -0.185
  328    H    MET  46           HN       MET  46  -2.700   6.238   4.013
  329    HA   MET  46           HA       MET  46   0.127   6.265   4.111
  330    HB2  MET  46           HB2      MET  46  -1.931   7.676   5.818
  331    HB3  MET  46           HB1      MET  46  -0.203   7.971   5.939
  332    HG2  MET  46           HG2      MET  46  -0.113   8.890   3.745
  333    HG3  MET  46           HG1      MET  46  -1.720   8.267   3.388
  334    HE1  MET  46           HE1      MET  46  -0.763   9.992   6.792
  335    HE2  MET  46           HE2      MET  46  -1.100  11.688   6.438
  336    HE3  MET  46           HE3      MET  46   0.245  10.871   5.642
  337    H    GLU  47           HN       GLU  47  -2.329   4.871   6.131
  338    HA   GLU  47           HA       GLU  47  -0.593   4.245   8.304
  339    HB2  GLU  47           HB2      GLU  47  -3.120   4.444   8.393
  340    HB3  GLU  47           HB1      GLU  47  -3.197   2.885   7.586
  341    HG2  GLU  47           HG2      GLU  47  -3.494   2.483   9.904
  342    HG3  GLU  47           HG1      GLU  47  -1.877   1.924   9.483
  343    H    THR  48           HN       THR  48  -1.722   2.620   5.369
  344    HA   THR  48           HA       THR  48  -0.705   0.063   5.649
  345    HB   THR  48           HB       THR  48  -0.631   1.762   3.131
  346    HG1  THR  48           HG1      THR  48  -2.687   0.368   4.441
  347   HG21  THR  48          HG21      THR  48  -1.011  -0.390   1.990
  348   HG22  THR  48          HG22      THR  48  -0.987  -1.219   3.546
  349   HG23  THR  48          HG23      THR  48   0.473  -0.437   2.941
  350    H    ALA  49           HN       ALA  49   0.762   2.824   4.032
  351    HA   ALA  49           HA       ALA  49   3.290   1.808   3.593
  352    HB1  ALA  49           HB1      ALA  49   2.419   3.837   2.539
  353    HB2  ALA  49           HB2      ALA  49   3.990   4.119   3.287
  354    HB3  ALA  49           HB3      ALA  49   2.519   4.680   4.084
  355    H    ALA  50           HN       ALA  50   2.169   3.832   6.297
  356    HA   ALA  50           HA       ALA  50   4.572   4.083   7.632
  357    HB1  ALA  50           HB1      ALA  50   2.581   5.413   8.106
  358    HB2  ALA  50           HB2      ALA  50   3.290   4.716   9.565
  359    HB3  ALA  50           HB3      ALA  50   1.837   4.005   8.864
  360    H    ARG  51           HN       ARG  51   2.103   1.574   8.087
  361    HA   ARG  51           HA       ARG  51   3.520   0.381  10.248
  362    HB2  ARG  51           HB2      ARG  51   1.063   0.114   9.847
  363    HB3  ARG  51           HB1      ARG  51   1.448  -0.920   8.478
  364    HG2  ARG  51           HG2      ARG  51   2.576  -2.478   9.972
  365    HG3  ARG  51           HG1      ARG  51   2.183  -1.443  11.346
  366    HD2  ARG  51           HD2      ARG  51  -0.222  -1.737  10.807
  367    HD3  ARG  51           HD1      ARG  51   0.291  -2.832   9.510
  368    HE   ARG  51           HE       ARG  51   1.461  -3.752  11.816
  369   HH11  ARG  51          HH11      ARG  51  -1.867  -3.339  10.665
  370   HH12  ARG  51          HH12      ARG  51  -2.489  -4.652  11.510
  371   HH21  ARG  51          HH21      ARG  51   0.618  -5.465  13.086
  372   HH22  ARG  51          HH22      ARG  51  -1.005  -5.964  12.914
  373    H    LEU  52           HN       LEU  52   3.203  -0.425   6.802
  374    HA   LEU  52           HA       LEU  52   4.986  -2.544   6.789
  375    HB2  LEU  52           HB2      LEU  52   4.354  -0.578   4.616
  376    HB3  LEU  52           HB1      LEU  52   5.361  -1.994   4.374
  377    HG   LEU  52           HG       LEU  52   2.470  -2.007   5.215
  378   HD11  LEU  52          HD11      LEU  52   3.812  -2.834   2.651
  379   HD12  LEU  52          HD12      LEU  52   2.789  -1.417   2.880
  380   HD13  LEU  52          HD13      LEU  52   2.103  -3.036   3.036
  381   HD21  LEU  52          HD21      LEU  52   3.720  -3.820   6.252
  382   HD22  LEU  52          HD22      LEU  52   4.378  -4.282   4.682
  383   HD23  LEU  52          HD23      LEU  52   2.649  -4.440   4.996
  384    H    GLU  53           HN       GLU  53   5.744   0.912   6.698
  385    HA   GLU  53           HA       GLU  53   8.432   0.767   6.093
  386    HB2  GLU  53           HB2      GLU  53   7.119   2.573   8.136
  387    HB3  GLU  53           HB1      GLU  53   8.759   2.768   7.552
  388    HG2  GLU  53           HG2      GLU  53   7.887   3.185   5.305
  389    HG3  GLU  53           HG1      GLU  53   6.243   3.007   5.929
  390    H    SER  54           HN       SER  54   6.850   0.589   9.258
  391    HA   SER  54           HA       SER  54   9.072   0.168  10.867
  392    HB2  SER  54           HB2      SER  54   6.206  -0.704  11.258
  393    HB3  SER  54           HB1      SER  54   7.411  -0.486  12.532
  394    HG   SER  54           HG       SER  54   6.002   1.304  12.241
  395    H    ARG  55           HN       ARG  55   7.279  -2.015   8.887
  396    HA   ARG  55           HA       ARG  55   8.271  -4.380  10.210
  397    HB2  ARG  55           HB2      ARG  55   6.020  -4.384   9.320
  398    HB3  ARG  55           HB1      ARG  55   6.630  -4.058   7.707
  399    HG2  ARG  55           HG2      ARG  55   7.705  -6.223   7.634
  400    HG3  ARG  55           HG1      ARG  55   7.210  -6.549   9.299
  401    HD2  ARG  55           HD2      ARG  55   5.380  -6.101   6.947
  402    HD3  ARG  55           HD1      ARG  55   5.715  -7.653   7.728
  403    HE   ARG  55           HE       ARG  55   4.881  -6.123   9.762
  404   HH11  ARG  55          HH11      ARG  55   3.411  -6.886   6.605
  405   HH12  ARG  55          HH12      ARG  55   1.817  -6.733   7.210
  406   HH21  ARG  55          HH21      ARG  55   2.667  -5.860  10.495
  407   HH22  ARG  55          HH22      ARG  55   1.399  -6.244   9.415
  408    H    TYR  56           HN       TYR  56   8.670  -2.906   6.981
  409    HA   TYR  56           HA       TYR  56  10.672  -4.905   6.343
  410    HB2  TYR  56           HB2      TYR  56   9.394  -2.742   4.689
  411    HB3  TYR  56           HB1      TYR  56  10.697  -3.765   4.091
  412    HD1  TYR  56           HD1      TYR  56   7.194  -3.768   5.281
  413    HD2  TYR  56           HD2      TYR  56  10.277  -5.991   3.383
  414    HE1  TYR  56           HE1      TYR  56   5.554  -5.473   4.620
  415    HE2  TYR  56           HE2      TYR  56   8.647  -7.704   2.721
  416    HH   TYR  56           HH       TYR  56   6.530  -8.506   3.241
  417    H    GLY  57           HN       GLY  57  10.671  -1.603   7.405
  418    HA2  GLY  57           HA2      GLY  57  12.552  -0.439   8.105
  419    HA3  GLY  57           HA1      GLY  57  13.571  -1.639   7.310
  420    H    VAL  58           HN       VAL  58  11.020   0.587   6.321
  421    HA   VAL  58           HA       VAL  58  12.802   1.627   4.259
  422    HB   VAL  58           HB       VAL  58  10.884   1.848   2.655
  423   HG11  VAL  58          HG11      VAL  58  11.510  -0.967   3.508
  424   HG12  VAL  58          HG12      VAL  58  12.463   0.027   2.402
  425   HG13  VAL  58          HG13      VAL  58  10.835  -0.488   1.950
  426   HG21  VAL  58          HG21      VAL  58   9.446   0.051   4.608
  427   HG22  VAL  58          HG22      VAL  58   8.872   0.483   2.999
  428   HG23  VAL  58          HG23      VAL  58   9.036   1.726   4.239
  429    H    SER  59           HN       SER  59  11.613   3.690   3.195
  430    HA   SER  59           HA       SER  59  10.453   5.207   5.389
  431    HB2  SER  59           HB2      SER  59  12.901   5.691   5.250
  432    HB3  SER  59           HB1      SER  59  12.682   6.189   3.575
  433    HG   SER  59           HG       SER  59  11.344   7.341   5.783
  434    H    ILE  60           HN       ILE  60   8.520   5.656   4.669
  435    HA   ILE  60           HA       ILE  60   8.204   6.528   1.881
  436    HB   ILE  60           HB       ILE  60   6.177   4.984   3.538
  437   HG12  ILE  60          HG12      ILE  60   7.751   4.064   1.113
  438   HG13  ILE  60          HG11      ILE  60   8.109   3.598   2.770
  439   HG21  ILE  60          HG21      ILE  60   5.137   6.564   1.989
  440   HG22  ILE  60          HG22      ILE  60   4.868   4.905   1.455
  441   HG23  ILE  60          HG23      ILE  60   6.084   5.899   0.654
  442   HD11  ILE  60          HD11      ILE  60   5.935   2.491   2.919
  443   HD12  ILE  60          HD12      ILE  60   6.906   1.849   1.594
  444   HD13  ILE  60          HD13      ILE  60   5.582   2.967   1.258
  445    HA   PRO  61           HA       PRO  61   7.016  10.192   4.268
  446    HB2  PRO  61           HB2      PRO  61   6.562  11.156   1.490
  447    HB3  PRO  61           HB1      PRO  61   7.477  11.912   2.800
  448    HG2  PRO  61           HG2      PRO  61   8.739  10.759   0.767
  449    HG3  PRO  61           HG1      PRO  61   9.353  10.607   2.425
  450    HD2  PRO  61           HD2      PRO  61   7.843   8.624   0.772
  451    HD3  PRO  61           HD1      PRO  61   9.207   8.365   1.880
  452    H    ASP  62           HN       ASP  62   5.067  10.857   4.867
  453    HA   ASP  62           HA       ASP  62   2.918   9.199   4.391
  454    HB2  ASP  62           HB2      ASP  62   1.608  10.760   5.806
  455    HB3  ASP  62           HB1      ASP  62   3.137  10.267   6.509
  456    H    ASP  63           HN       ASP  63   3.506  12.397   2.927
  457    HA   ASP  63           HA       ASP  63   0.894  12.584   1.800
  458    HB2  ASP  63           HB2      ASP  63   2.263  14.588   2.038
  459    HB3  ASP  63           HB1      ASP  63   3.466  13.933   0.934
  460    H    VAL  64           HN       VAL  64   3.711  10.906   0.856
  461    HA   VAL  64           HA       VAL  64   3.177  10.555  -1.926
  462    HB   VAL  64           HB       VAL  64   4.690   8.823  -0.014
  463   HG11  VAL  64          HG11      VAL  64   4.206   7.651  -2.132
  464   HG12  VAL  64          HG12      VAL  64   5.927   8.029  -2.062
  465   HG13  VAL  64          HG13      VAL  64   4.845   9.013  -3.051
  466   HG21  VAL  64          HG21      VAL  64   6.716  10.000  -0.811
  467   HG22  VAL  64          HG22      VAL  64   5.559  11.091  -0.037
  468   HG23  VAL  64          HG23      VAL  64   5.692  11.047  -1.793
  469    H    ALA  65           HN       ALA  65   2.273   8.847   0.998
  470    HA   ALA  65           HA       ALA  65   1.093   6.628  -0.357
  471    HB1  ALA  65           HB1      ALA  65   0.713   7.586   2.473
  472    HB2  ALA  65           HB2      ALA  65   1.914   6.408   1.936
  473    HB3  ALA  65           HB3      ALA  65   0.191   6.031   1.836
  474    H    GLY  66           HN       GLY  66   0.158   9.811   0.244
  475    HA2  GLY  66           HA2      GLY  66  -2.674   9.269  -0.155
  476    HA3  GLY  66           HA1      GLY  66  -1.935  10.849   0.103
  477    H    ARG  67           HN       ARG  67  -0.004   9.357  -2.048
  478    HA   ARG  67           HA       ARG  67  -1.362  10.600  -4.332
  479    HB2  ARG  67           HB2      ARG  67   1.546  10.025  -3.819
  480    HB3  ARG  67           HB1      ARG  67   0.931  10.483  -5.395
  481    HG2  ARG  67           HG2      ARG  67   0.167  12.615  -4.459
  482    HG3  ARG  67           HG1      ARG  67   0.824  12.140  -2.886
  483    HD2  ARG  67           HD2      ARG  67   3.043  12.020  -3.780
  484    HD3  ARG  67           HD1      ARG  67   2.443  12.272  -5.414
  485    HE   ARG  67           HE       ARG  67   1.748  14.429  -3.708
  486   HH11  ARG  67          HH11      ARG  67   4.555  13.027  -5.373
  487   HH12  ARG  67          HH12      ARG  67   5.270  14.516  -5.754
  488   HH21  ARG  67          HH21      ARG  67   2.783  16.518  -4.165
  489   HH22  ARG  67          HH22      ARG  67   4.254  16.536  -5.037
  490    H    VAL  68           HN       VAL  68  -1.199   7.663  -3.031
  491    HA   VAL  68           HA       VAL  68  -0.527   6.308  -5.486
  492    HB   VAL  68           HB       VAL  68  -1.015   4.167  -4.251
  493   HG11  VAL  68          HG11      VAL  68   0.944   4.278  -2.805
  494   HG12  VAL  68          HG12      VAL  68   0.933   6.039  -2.937
  495   HG13  VAL  68          HG13      VAL  68   1.227   5.043  -4.370
  496   HG21  VAL  68          HG21      VAL  68  -1.313   5.984  -1.864
  497   HG22  VAL  68          HG22      VAL  68  -1.240   4.224  -1.821
  498   HG23  VAL  68          HG23      VAL  68  -2.610   5.033  -2.593
  499    H    ASP  69           HN       ASP  69  -1.849   6.481  -6.981
  500    HA   ASP  69           HA       ASP  69  -4.628   6.953  -6.778
  501    HB2  ASP  69           HB2      ASP  69  -3.235   7.610  -8.743
  502    HB3  ASP  69           HB1      ASP  69  -3.083   5.912  -9.145
  503    H    THR  70           HN       THR  70  -2.752   4.076  -7.527
  504    HA   THR  70           HA       THR  70  -5.133   2.452  -7.079
  505    HB   THR  70           HB       THR  70  -4.222   0.972  -8.917
  506    HG1  THR  70           HG1      THR  70  -2.905   3.090 -10.112
  507   HG21  THR  70          HG21      THR  70  -5.000   3.778  -9.687
  508   HG22  THR  70          HG22      THR  70  -6.140   2.508  -9.240
  509   HG23  THR  70          HG23      THR  70  -5.179   2.358 -10.726
  510    HA   PRO  71           HA       PRO  71  -2.444  -0.063  -4.537
  511    HB2  PRO  71           HB2      PRO  71  -3.256  -2.447  -6.135
  512    HB3  PRO  71           HB1      PRO  71  -3.354  -2.178  -4.387
  513    HG2  PRO  71           HG2      PRO  71  -5.547  -2.088  -5.851
  514    HG3  PRO  71           HG1      PRO  71  -5.287  -0.890  -4.566
  515    HD2  PRO  71           HD2      PRO  71  -4.916  -0.594  -7.526
  516    HD3  PRO  71           HD1      PRO  71  -5.670   0.529  -6.371
  517    H    ARG  72           HN       ARG  72  -2.358  -0.478  -7.992
  518    HA   ARG  72           HA       ARG  72   0.090  -1.822  -8.314
  519    HB2  ARG  72           HB2      ARG  72  -1.622  -1.407 -10.075
  520    HB3  ARG  72           HB1      ARG  72  -1.147   0.280 -10.094
  521    HG2  ARG  72           HG2      ARG  72   1.083  -0.356 -10.863
  522    HG3  ARG  72           HG1      ARG  72   0.603  -2.058 -10.839
  523    HD2  ARG  72           HD2      ARG  72  -0.589   0.136 -12.532
  524    HD3  ARG  72           HD1      ARG  72   0.418  -1.202 -13.091
  525    HE   ARG  72           HE       ARG  72  -1.413  -2.690 -12.309
  526   HH11  ARG  72          HH11      ARG  72  -2.104   0.644 -13.306
  527   HH12  ARG  72          HH12      ARG  72  -3.747   0.352 -13.628
  528   HH21  ARG  72          HH21      ARG  72  -3.693  -3.067 -12.759
  529   HH22  ARG  72          HH22      ARG  72  -4.671  -1.788 -13.318
  530    H    GLU  73           HN       GLU  73  -0.743   1.573  -8.102
  531    HA   GLU  73           HA       GLU  73   1.757   2.796  -8.439
  532    HB2  GLU  73           HB2      GLU  73  -0.543   3.848  -8.395
  533    HB3  GLU  73           HB1      GLU  73  -0.520   3.671  -6.653
  534    HG2  GLU  73           HG2      GLU  73   0.014   5.910  -7.164
  535    HG3  GLU  73           HG1      GLU  73   1.501   5.131  -6.623
  536    H    LEU  74           HN       LEU  74   0.016   1.692  -5.594
  537    HA   LEU  74           HA       LEU  74   1.834   2.509  -3.589
  538    HB2  LEU  74           HB2      LEU  74  -0.694   1.704  -3.576
  539    HB3  LEU  74           HB1      LEU  74   0.018   0.139  -3.283
  540    HG   LEU  74           HG       LEU  74   0.262   2.571  -1.504
  541   HD11  LEU  74          HD11      LEU  74  -1.957   1.653  -1.486
  542   HD12  LEU  74          HD12      LEU  74  -1.146   1.303   0.041
  543   HD13  LEU  74          HD13      LEU  74  -1.319   0.040  -1.176
  544   HD21  LEU  74          HD21      LEU  74   1.212  -0.255  -1.034
  545   HD22  LEU  74          HD22      LEU  74   1.265   1.062   0.138
  546   HD23  LEU  74          HD23      LEU  74   2.247   1.143  -1.327
  547    H    LEU  75           HN       LEU  75   1.365  -0.542  -5.322
  548    HA   LEU  75           HA       LEU  75   3.243  -2.147  -4.004
  549    HB2  LEU  75           HB2      LEU  75   1.533  -3.027  -5.506
  550    HB3  LEU  75           HB1      LEU  75   2.292  -2.231  -6.867
  551    HG   LEU  75           HG       LEU  75   4.283  -3.690  -6.554
  552   HD11  LEU  75          HD11      LEU  75   4.022  -4.199  -4.201
  553   HD12  LEU  75          HD12      LEU  75   4.082  -5.680  -5.156
  554   HD13  LEU  75          HD13      LEU  75   2.538  -5.088  -4.541
  555   HD21  LEU  75          HD21      LEU  75   2.573  -4.251  -8.191
  556   HD22  LEU  75          HD22      LEU  75   1.660  -5.121  -6.955
  557   HD23  LEU  75          HD23      LEU  75   3.244  -5.710  -7.462
  558    H    ASP  76           HN       ASP  76   3.528  -0.239  -6.973
  559    HA   ASP  76           HA       ASP  76   6.221  -0.841  -7.517
  560    HB2  ASP  76           HB2      ASP  76   4.710   0.145  -9.199
  561    HB3  ASP  76           HB1      ASP  76   4.685   1.651  -8.288
  562    H    LEU  77           HN       LEU  77   4.741   1.768  -5.689
  563    HA   LEU  77           HA       LEU  77   6.970   3.280  -5.060
  564    HB2  LEU  77           HB2      LEU  77   4.805   4.087  -4.495
  565    HB3  LEU  77           HB1      LEU  77   4.474   2.694  -3.488
  566    HG   LEU  77           HG       LEU  77   6.184   3.481  -1.882
  567   HD11  LEU  77          HD11      LEU  77   6.317   5.948  -3.610
  568   HD12  LEU  77          HD12      LEU  77   7.602   4.760  -3.367
  569   HD13  LEU  77          HD13      LEU  77   7.055   5.745  -2.017
  570   HD21  LEU  77          HD21      LEU  77   4.003   5.461  -2.515
  571   HD22  LEU  77          HD22      LEU  77   4.867   5.328  -0.982
  572   HD23  LEU  77          HD23      LEU  77   3.846   4.002  -1.532
  573    H    ILE  78           HN       ILE  78   5.591   0.608  -3.139
  574    HA   ILE  78           HA       ILE  78   7.740   0.744  -1.294
  575    HB   ILE  78           HB       ILE  78   5.771  -1.539  -1.643
  576   HG12  ILE  78          HG12      ILE  78   5.767   0.885   0.164
  577   HG13  ILE  78          HG11      ILE  78   4.661   0.566  -1.167
  578   HG21  ILE  78          HG21      ILE  78   7.804  -2.204  -0.403
  579   HG22  ILE  78          HG22      ILE  78   6.404  -2.133   0.667
  580   HG23  ILE  78          HG23      ILE  78   7.591  -0.828   0.680
  581   HD11  ILE  78          HD11      ILE  78   3.809  -1.377   0.054
  582   HD12  ILE  78          HD12      ILE  78   3.598   0.139   0.941
  583   HD13  ILE  78          HD13      ILE  78   4.891  -0.973   1.393
  584    H    ASN  79           HN       ASN  79   7.176  -1.226  -4.136
  585    HA   ASN  79           HA       ASN  79   9.430  -2.895  -3.726
  586    HB2  ASN  79           HB2      ASN  79   7.893  -2.196  -6.216
  587    HB3  ASN  79           HB1      ASN  79   9.401  -3.089  -6.343
  588   HD21  ASN  79          HD21      ASN  79   7.126  -3.510  -3.671
  589   HD22  ASN  79          HD22      ASN  79   6.669  -5.122  -4.146
  590    H    GLY  80           HN       GLY  80   9.110   0.241  -5.244
  591    HA2  GLY  80           HA2      GLY  80  11.793   0.459  -6.124
  592    HA3  GLY  80           HA1      GLY  80  10.697   1.803  -5.822
  593    H    ALA  81           HN       ALA  81  10.175   1.354  -3.130
  594    HA   ALA  81           HA       ALA  81  12.386   2.561  -1.865
  595    HB1  ALA  81           HB1      ALA  81  10.006   1.182  -0.610
  596    HB2  ALA  81           HB2      ALA  81  10.069   2.871  -1.109
  597    HB3  ALA  81           HB3      ALA  81  11.102   2.301   0.203
  598    H    LEU  82           HN       LEU  82  11.184  -0.755  -1.890
  599    HA   LEU  82           HA       LEU  82  13.043  -1.825  -0.057
  600    HB2  LEU  82           HB2      LEU  82  11.392  -3.134  -2.206
  601    HB3  LEU  82           HB1      LEU  82  12.422  -4.035  -1.116
  602    HG   LEU  82           HG       LEU  82  10.129  -2.289  -0.208
  603   HD11  LEU  82          HD11      LEU  82   8.938  -4.385   0.163
  604   HD12  LEU  82          HD12      LEU  82  10.277  -5.274  -0.565
  605   HD13  LEU  82          HD13      LEU  82   9.324  -4.154  -1.542
  606   HD21  LEU  82          HD21      LEU  82  10.417  -3.488   1.902
  607   HD22  LEU  82          HD22      LEU  82  11.885  -2.615   1.461
  608   HD23  LEU  82          HD23      LEU  82  11.792  -4.360   1.223
  609    H    ALA  83           HN       ALA  83  13.417  -0.882  -3.305
  610    HA   ALA  83           HA       ALA  83  15.649  -2.569  -3.890
  611    HB1  ALA  83           HB1      ALA  83  14.817   0.033  -5.188
  612    HB2  ALA  83           HB2      ALA  83  14.290  -1.575  -5.684
  613    HB3  ALA  83           HB3      ALA  83  15.986  -1.116  -5.835
  614    H    GLU  84           HN       GLU  84  15.201   0.158  -1.928
  615    HA   GLU  84           HA       GLU  84  18.093   0.705  -1.846
  616    HB2  GLU  84           HB2      GLU  84  15.754   2.349  -0.895
  617    HB3  GLU  84           HB1      GLU  84  17.430   2.734  -0.557
  618    HG2  GLU  84           HG2      GLU  84  17.808   2.910  -2.997
  619    HG3  GLU  84           HG1      GLU  84  16.071   2.687  -3.229
  620    H    ALA  85           HN       ALA  85  15.934  -1.205  -0.445
  621    HA   ALA  85           HA       ALA  85  16.512  -0.590   2.320
  622    HB1  ALA  85           HB1      ALA  85  14.898  -2.843   1.118
  623    HB2  ALA  85           HB2      ALA  85  14.253  -1.311   1.707
  624    HB3  ALA  85           HB3      ALA  85  15.000  -2.444   2.834
  625    H    ALA  86           HN       ALA  86  18.393  -1.172   3.062
  626    HA   ALA  86           HA       ALA  86  19.503  -3.750   2.227
  627    HB1  ALA  86           HB1      ALA  86  21.725  -2.773   2.623
  628    HB2  ALA  86           HB2      ALA  86  20.974  -1.226   3.018
  629    HB3  ALA  86           HB3      ALA  86  20.843  -1.881   1.384
  630    H28  SXV  87          H28A      SXV  87  -6.338  13.892   3.194
  631   H28A  SXV  87          H28B      SXV  87  -5.127  12.615   3.267
  632    H30  SXV  87          H30C      SXV  87  -2.968  15.232   4.218
  633   H30A  SXV  87          H30A      SXV  87  -3.389  13.525   4.348
  634   H30B  SXV  87          H30B      SXV  87  -4.546  14.761   4.848
  635    H31  SXV  87          H31C      SXV  87  -2.631  13.368   2.239
  636   H31A  SXV  87          H31A      SXV  87  -2.522  15.007   1.655
  637   H31B  SXV  87          H31B      SXV  87  -3.538  13.805   0.820
  638    H32  SXV  87          H32A      SXV  87  -4.008  16.680   2.304
  639   HO33  SXV  87          H33A      SXV  87  -6.221  17.142   3.151
  640   HN36  SXV  87          H36A      SXV  87  -5.011  14.815   0.071
  641    H37  SXV  87          H37B      SXV  87  -5.844  15.949  -1.906
  642   H37A  SXV  87          H37A      SXV  87  -7.135  16.630  -0.956
  643    H38  SXV  87          H38B      SXV  87  -6.793  13.649  -1.491
  644   H38A  SXV  87          H38A      SXV  87  -7.743  14.762  -2.500
  645   HN41  SXV  87          H41A      SXV  87  -8.005  15.696   0.649
  646    H42  SXV  87          H42B      SXV  87 -10.400  14.122   1.202
  647   H42A  SXV  87          H42A      SXV  87 -10.500  15.879   1.182
  648    H43  SXV  87          H43B      SXV  87  -8.711  14.247   2.965
  649   H43A  SXV  87          H43A      SXV  87  -8.890  15.999   3.002
  650    H1   SXV  87           H1B      SXV  87  -9.201  14.080   5.527
  651    H1A  SXV  87           H1A      SXV  87  -9.392  15.839   5.649
  652    H2   SXV  87           H2A      SXV  87 -10.196  14.733   7.609
  653    H2A  SXV  87           H2B      SXV  87 -11.423  13.883   6.659
  654    H4   SXV  87           H4C      SXV  87 -11.542  16.420   8.961
  655    H4A  SXV  87           H4A      SXV  87 -12.224  17.734   7.995
  656    H4B  SXV  87           H4B      SXV  87 -10.498  17.360   7.884
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  20.480  -7.872  -4.303
    2    H2   MET   1           HT2      MET   1  19.665  -7.543  -5.715
    3    H3   MET   1           HT3      MET   1  20.604  -8.960  -5.612
    4    HA   MET   1           HA       MET   1  18.230  -9.380  -5.455
    5    HB2  MET   1           HB2      MET   1  18.241 -10.701  -3.384
    6    HB3  MET   1           HB1      MET   1  19.757 -10.886  -4.247
    7    HG2  MET   1           HG2      MET   1  20.813  -9.312  -2.694
    8    HG3  MET   1           HG1      MET   1  19.288  -9.165  -1.824
    9    HE1  MET   1           HE1      MET   1  20.461  -9.824   0.454
   10    HE2  MET   1           HE2      MET   1  22.004  -9.935  -0.392
   11    HE3  MET   1           HE3      MET   1  21.479 -11.250   0.660
   12    H    ALA   2           HN       ALA   2  16.301  -9.250  -3.933
   13    HA   ALA   2           HA       ALA   2  16.255  -6.976  -2.177
   14    HB1  ALA   2           HB1      ALA   2  16.087  -5.878  -4.352
   15    HB2  ALA   2           HB2      ALA   2  14.589  -5.721  -3.434
   16    HB3  ALA   2           HB3      ALA   2  14.696  -6.884  -4.755
   17    H    THR   3           HN       THR   3  14.725  -7.331  -0.638
   18    HA   THR   3           HA       THR   3  12.845  -9.454  -1.004
   19    HB   THR   3           HB       THR   3  13.851  -9.102   1.205
   20    HG1  THR   3           HG1      THR   3  12.158  -9.817   1.946
   21   HG21  THR   3          HG21      THR   3  12.527  -6.372   1.248
   22   HG22  THR   3          HG22      THR   3  14.260  -6.687   1.182
   23   HG23  THR   3          HG23      THR   3  13.342  -7.127   2.619
   24    H    LEU   4           HN       LEU   4  11.227  -9.042  -2.364
   25    HA   LEU   4           HA       LEU   4  10.144  -6.318  -2.445
   26    HB2  LEU   4           HB2      LEU   4   9.956  -8.520  -4.491
   27    HB3  LEU   4           HB1      LEU   4   9.229  -6.936  -4.645
   28    HG   LEU   4           HG       LEU   4  12.190  -7.508  -4.532
   29   HD11  LEU   4          HD11      LEU   4  11.154  -8.257  -6.596
   30   HD12  LEU   4          HD12      LEU   4  12.159  -6.835  -6.874
   31   HD13  LEU   4          HD13      LEU   4  10.405  -6.674  -6.808
   32   HD21  LEU   4          HD21      LEU   4  12.448  -5.144  -5.115
   33   HD22  LEU   4          HD22      LEU   4  11.636  -5.329  -3.560
   34   HD23  LEU   4          HD23      LEU   4  10.703  -4.918  -5.001
   35    H    LEU   5           HN       LEU   5   7.826  -6.240  -3.071
   36    HA   LEU   5           HA       LEU   5   6.271  -7.983  -1.340
   37    HB2  LEU   5           HB2      LEU   5   5.522  -5.559  -2.963
   38    HB3  LEU   5           HB1      LEU   5   4.437  -6.443  -1.922
   39    HG   LEU   5           HG       LEU   5   6.865  -4.925  -0.987
   40   HD11  LEU   5          HD11      LEU   5   5.227  -3.316  -0.141
   41   HD12  LEU   5          HD12      LEU   5   3.925  -4.256  -0.869
   42   HD13  LEU   5          HD13      LEU   5   5.120  -3.462  -1.896
   43   HD21  LEU   5          HD21      LEU   5   4.592  -6.222   0.492
   44   HD22  LEU   5          HD22      LEU   5   5.888  -5.266   1.213
   45   HD23  LEU   5          HD23      LEU   5   6.254  -6.805   0.431
   46    H    THR   6           HN       THR   6   4.797  -9.418  -2.157
   47    HA   THR   6           HA       THR   6   4.671  -9.696  -5.036
   48    HB   THR   6           HB       THR   6   3.336 -11.764  -4.443
   49    HG1  THR   6           HG1      THR   6   4.144 -12.176  -1.992
   50   HG21  THR   6          HG21      THR   6   5.733 -11.930  -4.967
   51   HG22  THR   6          HG22      THR   6   5.284 -13.086  -3.716
   52   HG23  THR   6          HG23      THR   6   6.129 -11.601  -3.281
   53    H    THR   7           HN       THR   7   2.214 -10.492  -5.561
   54    HA   THR   7           HA       THR   7   0.539  -8.261  -5.092
   55    HB   THR   7           HB       THR   7  -0.288 -11.033  -6.008
   56    HG1  THR   7           HG1      THR   7   0.664  -8.967  -7.712
   57   HG21  THR   7          HG21      THR   7  -1.890  -9.771  -7.388
   58   HG22  THR   7          HG22      THR   7  -1.251  -8.259  -6.737
   59   HG23  THR   7          HG23      THR   7  -2.089  -9.392  -5.676
   60    H    ASP   8           HN       ASP   8   0.919 -11.498  -3.774
   61    HA   ASP   8           HA       ASP   8  -1.381 -11.435  -2.123
   62    HB2  ASP   8           HB2      ASP   8  -0.345 -13.524  -2.936
   63    HB3  ASP   8           HB1      ASP   8   1.038 -13.219  -1.886
   64    H    ASP   9           HN       ASP   9   2.091 -10.827  -1.465
   65    HA   ASP   9           HA       ASP   9   1.648 -10.276   1.276
   66    HB2  ASP   9           HB2      ASP   9   3.943  -9.809  -0.525
   67    HB3  ASP   9           HB1      ASP   9   3.827  -8.700   0.838
   68    H    LEU  10           HN       LEU  10   1.356  -8.277  -1.554
   69    HA   LEU  10           HA       LEU  10   1.018  -5.829  -0.190
   70    HB2  LEU  10           HB2      LEU  10   1.437  -6.028  -2.635
   71    HB3  LEU  10           HB1      LEU  10  -0.170  -6.698  -2.832
   72    HG   LEU  10           HG       LEU  10  -1.121  -4.554  -2.016
   73   HD11  LEU  10          HD11      LEU  10   0.758  -3.783  -0.691
   74   HD12  LEU  10          HD12      LEU  10   0.313  -2.583  -1.905
   75   HD13  LEU  10          HD13      LEU  10   1.731  -3.601  -2.151
   76   HD21  LEU  10          HD21      LEU  10  -0.651  -3.291  -4.054
   77   HD22  LEU  10          HD22      LEU  10  -0.920  -5.002  -4.392
   78   HD23  LEU  10          HD23      LEU  10   0.720  -4.349  -4.392
   79    H    ARG  11           HN       ARG  11  -1.203  -8.408  -1.137
   80    HA   ARG  11           HA       ARG  11  -3.629  -7.338  -0.305
   81    HB2  ARG  11           HB2      ARG  11  -3.678  -9.493  -1.362
   82    HB3  ARG  11           HB1      ARG  11  -2.619 -10.192  -0.142
   83    HG2  ARG  11           HG2      ARG  11  -4.367  -9.956   1.538
   84    HG3  ARG  11           HG1      ARG  11  -5.424  -9.205   0.351
   85    HD2  ARG  11           HD2      ARG  11  -6.044 -11.511   0.683
   86    HD3  ARG  11           HD1      ARG  11  -5.425 -11.282  -0.943
   87    HE   ARG  11           HE       ARG  11  -3.332 -12.301  -0.104
   88   HH11  ARG  11          HH11      ARG  11  -6.310 -12.860   1.739
   89   HH12  ARG  11          HH12      ARG  11  -5.929 -14.479   2.120
   90   HH21  ARG  11          HH21      ARG  11  -2.820 -14.459   0.400
   91   HH22  ARG  11          HH22      ARG  11  -3.832 -15.419   1.398
   92    H    ARG  12           HN       ARG  12  -1.227  -9.078   1.535
   93    HA   ARG  12           HA       ARG  12  -2.450  -9.093   4.051
   94    HB2  ARG  12           HB2      ARG  12   0.498  -8.997   3.392
   95    HB3  ARG  12           HB1      ARG  12  -0.168  -9.407   4.965
   96    HG2  ARG  12           HG2      ARG  12  -1.231 -11.368   4.030
   97    HG3  ARG  12           HG1      ARG  12  -0.653 -10.934   2.423
   98    HD2  ARG  12           HD2      ARG  12   1.649 -11.199   3.156
   99    HD3  ARG  12           HD1      ARG  12   1.105 -11.550   4.796
  100    HE   ARG  12           HE       ARG  12  -0.187 -13.374   3.318
  101   HH11  ARG  12          HH11      ARG  12   3.247 -12.465   3.221
  102   HH12  ARG  12          HH12      ARG  12   3.832 -14.064   3.200
  103   HH21  ARG  12          HH21      ARG  12   0.606 -15.564   3.090
  104   HH22  ARG  12          HH22      ARG  12   2.278 -15.888   3.014
  105    H    ALA  13           HN       ALA  13  -0.322  -6.741   2.539
  106    HA   ALA  13           HA       ALA  13   0.075  -4.992   4.685
  107    HB1  ALA  13           HB1      ALA  13  -0.066  -4.361   1.741
  108    HB2  ALA  13           HB2      ALA  13   1.362  -4.913   2.619
  109    HB3  ALA  13           HB3      ALA  13   0.646  -3.342   2.992
  110    H    LEU  14           HN       LEU  14  -2.436  -5.009   2.190
  111    HA   LEU  14           HA       LEU  14  -3.685  -2.695   3.263
  112    HB2  LEU  14           HB2      LEU  14  -4.477  -4.587   1.087
  113    HB3  LEU  14           HB1      LEU  14  -5.645  -3.454   1.719
  114    HG   LEU  14           HG       LEU  14  -4.727  -2.567  -0.294
  115   HD11  LEU  14          HD11      LEU  14  -3.607  -1.096   2.064
  116   HD12  LEU  14          HD12      LEU  14  -5.230  -0.947   1.392
  117   HD13  LEU  14          HD13      LEU  14  -3.834  -0.426   0.449
  118   HD21  LEU  14          HD21      LEU  14  -2.348  -2.035  -0.579
  119   HD22  LEU  14          HD22      LEU  14  -2.607  -3.771  -0.392
  120   HD23  LEU  14          HD23      LEU  14  -1.994  -2.820   0.961
  121    H    VAL  15           HN       VAL  15  -3.850  -5.963   4.161
  122    HA   VAL  15           HA       VAL  15  -6.472  -5.703   5.347
  123    HB   VAL  15           HB       VAL  15  -4.364  -7.831   5.923
  124   HG11  VAL  15          HG11      VAL  15  -7.330  -7.839   6.481
  125   HG12  VAL  15          HG12      VAL  15  -6.044  -7.689   7.680
  126   HG13  VAL  15          HG13      VAL  15  -6.224  -9.184   6.761
  127   HG21  VAL  15          HG21      VAL  15  -4.988  -7.872   3.573
  128   HG22  VAL  15          HG22      VAL  15  -6.696  -7.936   4.010
  129   HG23  VAL  15          HG23      VAL  15  -5.631  -9.284   4.410
  130    H    GLU  16           HN       GLU  16  -3.209  -5.032   6.202
  131    HA   GLU  16           HA       GLU  16  -3.441  -5.197   8.990
  132    HB2  GLU  16           HB2      GLU  16  -1.451  -3.583   7.399
  133    HB3  GLU  16           HB1      GLU  16  -1.337  -3.991   9.106
  134    HG2  GLU  16           HG2      GLU  16  -1.382  -6.391   8.458
  135    HG3  GLU  16           HG1      GLU  16  -1.273  -5.875   6.779
  136    H    SER  17           HN       SER  17  -3.913  -2.421   6.834
  137    HA   SER  17           HA       SER  17  -4.476  -0.809   9.185
  138    HB2  SER  17           HB2      SER  17  -4.489   0.018   6.275
  139    HB3  SER  17           HB1      SER  17  -4.504   1.079   7.682
  140    HG   SER  17           HG       SER  17  -2.484  -0.064   8.252
  141    H    ALA  18           HN       ALA  18  -6.199  -2.842   7.215
  142    HA   ALA  18           HA       ALA  18  -8.619  -1.224   7.218
  143    HB1  ALA  18           HB1      ALA  18  -9.607  -2.965   5.854
  144    HB2  ALA  18           HB2      ALA  18  -8.174  -3.974   6.074
  145    HB3  ALA  18           HB3      ALA  18  -8.056  -2.457   5.185
  146    H    GLY  19           HN       GLY  19  -7.480  -4.338   8.446
  147    HA2  GLY  19           HA2      GLY  19  -8.163  -5.460  10.339
  148    HA3  GLY  19           HA1      GLY  19  -9.326  -4.168  10.661
  149    H    GLU  20           HN       GLU  20 -11.380  -4.417  10.076
  150    HA   GLU  20           HA       GLU  20 -12.040  -6.230   7.946
  151    HB2  GLU  20           HB2      GLU  20 -11.959  -7.626  10.076
  152    HB3  GLU  20           HB1      GLU  20 -13.337  -6.680  10.632
  153    HG2  GLU  20           HG2      GLU  20 -14.101  -8.764   9.713
  154    HG3  GLU  20           HG1      GLU  20 -14.612  -7.436   8.672
  155    H    THR  21           HN       THR  21 -12.578  -4.167   7.088
  156    HA   THR  21           HA       THR  21 -14.748  -2.645   8.200
  157    HB   THR  21           HB       THR  21 -14.377  -1.415   5.993
  158    HG1  THR  21           HG1      THR  21 -12.188  -2.008   5.124
  159   HG21  THR  21          HG21      THR  21 -12.006  -1.735   7.857
  160   HG22  THR  21          HG22      THR  21 -13.371  -0.646   8.114
  161   HG23  THR  21          HG23      THR  21 -12.272  -0.376   6.762
  162    H    ASP  22           HN       ASP  22 -14.568  -3.170   4.985
  163    HA   ASP  22           HA       ASP  22 -17.232  -4.424   4.864
  164    HB2  ASP  22           HB2      ASP  22 -16.841  -2.469   3.411
  165    HB3  ASP  22           HB1      ASP  22 -15.517  -3.314   2.624
  166    H    GLY  23           HN       GLY  23 -13.914  -4.928   3.955
  167    HA2  GLY  23           HA2      GLY  23 -13.498  -7.475   4.473
  168    HA3  GLY  23           HA1      GLY  23 -14.478  -7.631   3.019
  169    H    THR  24           HN       THR  24 -11.687  -5.732   4.173
  170    HA   THR  24           HA       THR  24 -10.767  -5.654   1.464
  171    HB   THR  24           HB       THR  24  -9.450  -4.349   3.863
  172    HG1  THR  24           HG1      THR  24 -11.476  -3.510   2.054
  173   HG21  THR  24          HG21      THR  24  -9.385  -3.823   0.883
  174   HG22  THR  24          HG22      THR  24  -8.049  -4.459   1.843
  175   HG23  THR  24          HG23      THR  24  -8.612  -2.803   2.084
  176    H    ASP  25           HN       ASP  25 -10.595  -8.037   1.722
  177    HA   ASP  25           HA       ASP  25  -7.756  -8.592   2.132
  178    HB2  ASP  25           HB2      ASP  25  -9.002 -10.051   3.660
  179    HB3  ASP  25           HB1      ASP  25 -10.075 -10.547   2.354
  180    H    LEU  26           HN       LEU  26  -6.925  -8.388   0.300
  181    HA   LEU  26           HA       LEU  26  -8.524  -8.452  -2.073
  182    HB2  LEU  26           HB2      LEU  26  -5.630  -7.730  -1.712
  183    HB3  LEU  26           HB1      LEU  26  -6.551  -7.521  -3.176
  184    HG   LEU  26           HG       LEU  26  -6.360  -5.405  -2.251
  185   HD11  LEU  26          HD11      LEU  26  -8.543  -5.770  -3.070
  186   HD12  LEU  26          HD12      LEU  26  -8.614  -4.720  -1.648
  187   HD13  LEU  26          HD13      LEU  26  -9.067  -6.416  -1.514
  188   HD21  LEU  26          HD21      LEU  26  -7.248  -6.485   0.420
  189   HD22  LEU  26          HD22      LEU  26  -6.913  -4.793   0.060
  190   HD23  LEU  26          HD23      LEU  26  -5.613  -5.985  -0.009
  191    H    SER  27           HN       SER  27  -8.657 -10.858  -1.591
  192    HA   SER  27           HA       SER  27  -6.490 -12.456  -2.536
  193    HB2  SER  27           HB2      SER  27  -9.407 -13.100  -2.081
  194    HB3  SER  27           HB1      SER  27  -8.222 -14.296  -2.611
  195    HG   SER  27           HG       SER  27  -8.334 -12.925  -0.097
  196    H    GLY  28           HN       GLY  28  -5.809 -12.483  -4.519
  197    HA2  GLY  28           HA2      GLY  28  -6.209 -13.208  -6.786
  198    HA3  GLY  28           HA1      GLY  28  -7.779 -12.415  -6.703
  199    H    ASP  29           HN       ASP  29  -7.480 -11.097  -8.429
  200    HA   ASP  29           HA       ASP  29  -5.150  -9.377  -8.668
  201    HB2  ASP  29           HB2      ASP  29  -6.060 -10.316 -10.711
  202    HB3  ASP  29           HB1      ASP  29  -7.660  -9.691 -10.341
  203    H    PHE  30           HN       PHE  30  -5.091  -7.268  -8.159
  204    HA   PHE  30           HA       PHE  30  -7.513  -5.766  -7.681
  205    HB2  PHE  30           HB2      PHE  30  -7.132  -5.229  -5.345
  206    HB3  PHE  30           HB1      PHE  30  -7.301  -6.963  -5.559
  207    HD1  PHE  30           HD2      PHE  30  -5.240  -8.397  -5.471
  208    HD2  PHE  30           HD1      PHE  30  -5.227  -4.285  -4.392
  209    HE1  PHE  30           HE2      PHE  30  -3.150  -8.728  -4.226
  210    HE2  PHE  30           HE1      PHE  30  -3.142  -4.614  -3.147
  211    HZ   PHE  30           HZ       PHE  30  -2.105  -6.838  -3.060
  212    H    LEU  31           HN       LEU  31  -4.305  -5.809  -8.629
  213    HA   LEU  31           HA       LEU  31  -3.317  -3.373  -7.701
  214    HB2  LEU  31           HB2      LEU  31  -2.654  -5.209  -9.906
  215    HB3  LEU  31           HB1      LEU  31  -2.069  -3.566 -10.057
  216    HG   LEU  31           HG       LEU  31  -0.864  -3.781  -7.962
  217   HD11  LEU  31          HD11      LEU  31  -2.285  -5.330  -6.785
  218   HD12  LEU  31          HD12      LEU  31  -0.615  -5.893  -6.832
  219   HD13  LEU  31          HD13      LEU  31  -1.825  -6.628  -7.894
  220   HD21  LEU  31          HD21      LEU  31   0.830  -5.376  -8.708
  221   HD22  LEU  31          HD22      LEU  31   0.262  -4.345 -10.023
  222   HD23  LEU  31          HD23      LEU  31  -0.303  -6.012  -9.902
  223    H    ASP  32           HN       ASP  32  -5.740  -3.917 -10.058
  224    HA   ASP  32           HA       ASP  32  -5.305  -1.264 -11.199
  225    HB2  ASP  32           HB2      ASP  32  -6.837  -3.646 -12.206
  226    HB3  ASP  32           HB1      ASP  32  -6.954  -2.053 -12.948
  227    H    LEU  33           HN       LEU  33  -6.689  -2.161  -8.643
  228    HA   LEU  33           HA       LEU  33  -9.319  -0.962  -9.009
  229    HB2  LEU  33           HB2      LEU  33  -7.890  -2.219  -6.692
  230    HB3  LEU  33           HB1      LEU  33  -9.337  -1.271  -6.450
  231    HG   LEU  33           HG       LEU  33  -9.236  -3.731  -8.198
  232   HD11  LEU  33          HD11      LEU  33  -8.704  -4.258  -5.850
  233   HD12  LEU  33          HD12      LEU  33 -10.301  -4.854  -6.299
  234   HD13  LEU  33          HD13      LEU  33 -10.145  -3.386  -5.333
  235   HD21  LEU  33          HD21      LEU  33 -11.665  -3.601  -7.953
  236   HD22  LEU  33          HD22      LEU  33 -11.027  -2.110  -8.670
  237   HD23  LEU  33          HD23      LEU  33 -11.470  -2.155  -6.959
  238    H    ARG  34           HN       ARG  34  -9.915   0.649  -7.319
  239    HA   ARG  34           HA       ARG  34  -7.750   2.533  -6.749
  240    HB2  ARG  34           HB2      ARG  34 -10.759   2.841  -6.717
  241    HB3  ARG  34           HB1      ARG  34  -9.635   4.062  -6.160
  242    HG2  ARG  34           HG2      ARG  34  -9.810   3.013  -8.959
  243    HG3  ARG  34           HG1      ARG  34 -10.557   4.501  -8.378
  244    HD2  ARG  34           HD2      ARG  34  -8.272   5.255  -7.713
  245    HD3  ARG  34           HD1      ARG  34  -7.612   3.871  -8.583
  246    HE   ARG  34           HE       ARG  34  -9.445   5.671  -9.956
  247   HH11  ARG  34          HH11      ARG  34  -6.223   4.310  -9.735
  248   HH12  ARG  34          HH12      ARG  34  -5.593   5.173 -11.074
  249   HH21  ARG  34          HH21      ARG  34  -8.582   6.903 -11.759
  250   HH22  ARG  34          HH22      ARG  34  -6.947   6.735 -12.205
  251    H    PHE  35           HN       PHE  35  -7.859   3.369  -4.547
  252    HA   PHE  35           HA       PHE  35  -8.357   1.247  -2.709
  253    HB2  PHE  35           HB2      PHE  35  -7.475   4.096  -2.291
  254    HB3  PHE  35           HB1      PHE  35  -7.615   2.909  -0.993
  255    HD1  PHE  35           HD2      PHE  35  -6.230   0.845  -1.098
  256    HD2  PHE  35           HD1      PHE  35  -5.595   4.162  -3.668
  257    HE1  PHE  35           HE2      PHE  35  -3.991   0.029  -1.576
  258    HE2  PHE  35           HE1      PHE  35  -3.332   3.348  -4.171
  259    HZ   PHE  35           HZ       PHE  35  -2.514   1.284  -3.114
  260    H    GLU  36           HN       GLU  36  -9.918   4.061  -3.760
  261    HA   GLU  36           HA       GLU  36 -12.001   4.580  -2.067
  262    HB2  GLU  36           HB2      GLU  36 -11.544   5.728  -4.132
  263    HB3  GLU  36           HB1      GLU  36 -11.944   4.294  -5.051
  264    HG2  GLU  36           HG2      GLU  36 -14.268   4.503  -4.155
  265    HG3  GLU  36           HG1      GLU  36 -13.785   6.081  -3.509
  266    H    ASP  37           HN       ASP  37 -11.823   2.063  -4.566
  267    HA   ASP  37           HA       ASP  37 -14.431   1.019  -4.194
  268    HB2  ASP  37           HB2      ASP  37 -12.018  -0.190  -5.550
  269    HB3  ASP  37           HB1      ASP  37 -13.631  -0.886  -5.593
  270    H    ILE  38           HN       ILE  38 -11.481   0.504  -2.556
  271    HA   ILE  38           HA       ILE  38 -12.663  -1.824  -1.267
  272    HB   ILE  38           HB       ILE  38 -10.311  -2.438  -0.545
  273   HG12  ILE  38          HG12      ILE  38  -9.534  -0.550  -2.771
  274   HG13  ILE  38          HG11      ILE  38  -9.324  -0.160  -1.078
  275   HG21  ILE  38          HG21      ILE  38 -11.496  -3.615  -2.265
  276   HG22  ILE  38          HG22      ILE  38  -9.794  -3.453  -2.737
  277   HG23  ILE  38          HG23      ILE  38 -11.027  -2.402  -3.454
  278   HD11  ILE  38          HD11      ILE  38  -7.784  -2.087  -0.876
  279   HD12  ILE  38          HD12      ILE  38  -7.241  -0.901  -2.062
  280   HD13  ILE  38          HD13      ILE  38  -7.995  -2.400  -2.600
  281    H    GLY  39           HN       GLY  39 -12.981   0.994  -0.731
  282    HA2  GLY  39           HA2      GLY  39 -13.458   2.291   1.122
  283    HA3  GLY  39           HA1      GLY  39 -13.354   0.805   2.051
  284    H    TYR  40           HN       TYR  40 -10.940   2.670   0.264
  285    HA   TYR  40           HA       TYR  40  -9.502   3.063   2.776
  286    HB2  TYR  40           HB2      TYR  40  -8.620   1.755   0.327
  287    HB3  TYR  40           HB1      TYR  40  -7.554   3.053   0.841
  288    HD1  TYR  40           HD2      TYR  40  -9.043  -0.150   1.757
  289    HD2  TYR  40           HD1      TYR  40  -6.170   2.796   2.788
  290    HE1  TYR  40           HE2      TYR  40  -8.067  -1.696   3.371
  291    HE2  TYR  40           HE1      TYR  40  -5.178   1.246   4.424
  292    HH   TYR  40           HH       TYR  40  -5.725  -0.677   5.656
  293    H    ASP  41           HN       ASP  41  -9.424   5.102   3.195
  294    HA   ASP  41           HA       ASP  41  -9.329   7.075   1.032
  295    HB2  ASP  41           HB2      ASP  41  -9.606   7.447   4.041
  296    HB3  ASP  41           HB1      ASP  41  -9.579   8.753   2.866
  297    H    SER  42           HN       SER  42  -7.685   8.846   1.365
  298    HA   SER  42           HA       SER  42  -5.112   7.805   1.474
  299    HB2  SER  42           HB2      SER  42  -4.860  10.548   1.915
  300    HB3  SER  42           HB1      SER  42  -4.893   9.737   0.345
  301    H    LEU  43           HN       LEU  43  -7.113   9.233   3.895
  302    HA   LEU  43           HA       LEU  43  -5.541   9.655   6.089
  303    HB2  LEU  43           HB2      LEU  43  -8.146   8.152   5.930
  304    HB3  LEU  43           HB1      LEU  43  -7.444   8.746   7.412
  305    HG   LEU  43           HG       LEU  43  -8.344  10.491   5.120
  306   HD11  LEU  43          HD11      LEU  43 -10.225  11.050   6.579
  307   HD12  LEU  43          HD12      LEU  43  -9.656   9.870   7.765
  308   HD13  LEU  43          HD13      LEU  43 -10.216   9.331   6.186
  309   HD21  LEU  43          HD21      LEU  43  -6.571  11.467   6.477
  310   HD22  LEU  43          HD22      LEU  43  -7.500  11.135   7.939
  311   HD23  LEU  43          HD23      LEU  43  -8.107  12.288   6.751
  312    H    ALA  44           HN       ALA  44  -6.841   6.545   4.999
  313    HA   ALA  44           HA       ALA  44  -5.428   5.069   7.026
  314    HB1  ALA  44           HB1      ALA  44  -6.512   3.107   6.066
  315    HB2  ALA  44           HB2      ALA  44  -7.095   4.077   4.713
  316    HB3  ALA  44           HB3      ALA  44  -7.685   4.395   6.345
  317    H    LEU  45           HN       LEU  45  -5.112   5.778   3.632
  318    HA   LEU  45           HA       LEU  45  -3.267   3.818   2.899
  319    HB2  LEU  45           HB2      LEU  45  -3.630   6.604   1.838
  320    HB3  LEU  45           HB1      LEU  45  -2.569   5.418   1.106
  321    HG   LEU  45           HG       LEU  45  -5.554   5.151   1.416
  322   HD11  LEU  45          HD11      LEU  45  -5.579   5.336  -1.016
  323   HD12  LEU  45          HD12      LEU  45  -3.835   5.607  -1.011
  324   HD13  LEU  45          HD13      LEU  45  -4.913   6.795  -0.274
  325   HD21  LEU  45          HD21      LEU  45  -4.414   3.020   1.591
  326   HD22  LEU  45          HD22      LEU  45  -3.522   3.363   0.107
  327   HD23  LEU  45          HD23      LEU  45  -5.271   3.146   0.056
  328    H    MET  46           HN       MET  46  -2.725   6.949   4.378
  329    HA   MET  46           HA       MET  46   0.105   6.812   4.204
  330    HB2  MET  46           HB2      MET  46  -1.626   8.390   6.109
  331    HB3  MET  46           HB1      MET  46   0.111   8.587   5.937
  332    HG2  MET  46           HG2      MET  46  -0.200   9.242   3.598
  333    HG3  MET  46           HG1      MET  46  -1.945   9.022   3.823
  334    HE1  MET  46           HE1      MET  46  -0.556  11.703   2.722
  335    HE2  MET  46           HE2      MET  46  -1.503  12.929   3.568
  336    HE3  MET  46           HE3      MET  46  -2.302  11.510   2.887
  337    H    GLU  47           HN       GLU  47  -2.222   5.549   6.422
  338    HA   GLU  47           HA       GLU  47  -0.380   4.955   8.513
  339    HB2  GLU  47           HB2      GLU  47  -2.825   5.196   8.836
  340    HB3  GLU  47           HB1      GLU  47  -3.060   3.722   7.916
  341    HG2  GLU  47           HG2      GLU  47  -1.710   2.475   9.547
  342    HG3  GLU  47           HG1      GLU  47  -1.557   3.936  10.512
  343    H    THR  48           HN       THR  48  -1.892   3.145   5.861
  344    HA   THR  48           HA       THR  48  -0.792   0.653   6.223
  345    HB   THR  48           HB       THR  48  -1.170   2.102   3.580
  346    HG1  THR  48           HG1      THR  48  -2.897   0.997   5.471
  347   HG21  THR  48          HG21      THR  48  -1.653  -0.153   2.710
  348   HG22  THR  48          HG22      THR  48  -1.353  -0.839   4.306
  349   HG23  THR  48          HG23      THR  48  -0.034  -0.088   3.406
  350    H    ALA  49           HN       ALA  49   0.486   3.362   4.304
  351    HA   ALA  49           HA       ALA  49   2.946   2.286   3.611
  352    HB1  ALA  49           HB1      ALA  49   2.026   4.339   2.646
  353    HB2  ALA  49           HB2      ALA  49   3.667   4.583   3.244
  354    HB3  ALA  49           HB3      ALA  49   2.291   5.174   4.177
  355    H    ALA  50           HN       ALA  50   2.084   4.239   6.461
  356    HA   ALA  50           HA       ALA  50   4.626   4.429   7.601
  357    HB1  ALA  50           HB1      ALA  50   2.713   5.795   8.294
  358    HB2  ALA  50           HB2      ALA  50   3.495   5.011   9.670
  359    HB3  ALA  50           HB3      ALA  50   1.975   4.376   9.038
  360    H    ARG  51           HN       ARG  51   2.136   1.968   8.042
  361    HA   ARG  51           HA       ARG  51   3.549   0.559  10.062
  362    HB2  ARG  51           HB2      ARG  51   1.100   0.380   9.700
  363    HB3  ARG  51           HB1      ARG  51   1.410  -0.468   8.192
  364    HG2  ARG  51           HG2      ARG  51   2.453  -2.284   9.387
  365    HG3  ARG  51           HG1      ARG  51   2.254  -1.422  10.916
  366    HD2  ARG  51           HD2      ARG  51  -0.191  -1.449  10.553
  367    HD3  ARG  51           HD1      ARG  51   0.086  -2.411   9.098
  368    HE   ARG  51           HE       ARG  51   1.309  -3.910  10.814
  369   HH11  ARG  51          HH11      ARG  51  -1.842  -2.310  11.139
  370   HH12  ARG  51          HH12      ARG  51  -2.485  -3.421  12.258
  371   HH21  ARG  51          HH21      ARG  51   0.434  -5.463  12.402
  372   HH22  ARG  51          HH22      ARG  51  -1.138  -5.239  13.012
  373    H    LEU  52           HN       LEU  52   3.290   0.245   6.576
  374    HA   LEU  52           HA       LEU  52   4.880  -2.061   6.340
  375    HB2  LEU  52           HB2      LEU  52   4.304   0.121   4.354
  376    HB3  LEU  52           HB1      LEU  52   5.088  -1.399   3.957
  377    HG   LEU  52           HG       LEU  52   2.299  -1.149   5.081
  378   HD11  LEU  52          HD11      LEU  52   1.531  -1.762   2.866
  379   HD12  LEU  52          HD12      LEU  52   3.189  -1.775   2.279
  380   HD13  LEU  52          HD13      LEU  52   2.454  -0.263   2.814
  381   HD21  LEU  52          HD21      LEU  52   3.397  -3.221   5.699
  382   HD22  LEU  52          HD22      LEU  52   3.820  -3.516   4.011
  383   HD23  LEU  52          HD23      LEU  52   2.127  -3.522   4.511
  384    H    GLU  53           HN       GLU  53   5.702   1.336   6.560
  385    HA   GLU  53           HA       GLU  53   8.390   1.226   5.872
  386    HB2  GLU  53           HB2      GLU  53   7.114   2.856   8.066
  387    HB3  GLU  53           HB1      GLU  53   8.740   3.100   7.460
  388    HG2  GLU  53           HG2      GLU  53   7.786   3.618   5.251
  389    HG3  GLU  53           HG1      GLU  53   6.172   3.471   5.961
  390    H    SER  54           HN       SER  54   6.812   0.598   8.947
  391    HA   SER  54           HA       SER  54   9.160  -0.079  10.376
  392    HB2  SER  54           HB2      SER  54   7.060   0.617  11.497
  393    HB3  SER  54           HB1      SER  54   6.255  -0.819  10.881
  394    HG   SER  54           HG       SER  54   8.571  -0.946  12.493
  395    H    ARG  55           HN       ARG  55   6.578  -1.975   8.893
  396    HA   ARG  55           HA       ARG  55   7.414  -4.517   9.536
  397    HB2  ARG  55           HB2      ARG  55   5.179  -4.062   8.808
  398    HB3  ARG  55           HB1      ARG  55   5.743  -3.515   7.243
  399    HG2  ARG  55           HG2      ARG  55   6.431  -5.789   6.687
  400    HG3  ARG  55           HG1      ARG  55   5.897  -6.339   8.277
  401    HD2  ARG  55           HD2      ARG  55   3.632  -5.911   7.781
  402    HD3  ARG  55           HD1      ARG  55   4.046  -4.930   6.374
  403    HE   ARG  55           HE       ARG  55   5.010  -7.568   6.099
  404   HH11  ARG  55          HH11      ARG  55   1.911  -5.826   6.025
  405   HH12  ARG  55          HH12      ARG  55   1.243  -6.738   4.776
  406   HH21  ARG  55          HH21      ARG  55   4.083  -8.858   4.353
  407   HH22  ARG  55          HH22      ARG  55   2.532  -8.523   3.765
  408    H    TYR  56           HN       TYR  56   8.419  -2.599   6.704
  409    HA   TYR  56           HA       TYR  56  10.177  -4.859   6.029
  410    HB2  TYR  56           HB2      TYR  56   8.913  -2.839   4.204
  411    HB3  TYR  56           HB1      TYR  56  10.276  -3.831   3.704
  412    HD1  TYR  56           HD1      TYR  56   6.728  -3.833   4.590
  413    HD2  TYR  56           HD2      TYR  56  10.030  -6.205   3.354
  414    HE1  TYR  56           HE1      TYR  56   5.199  -5.665   4.038
  415    HE2  TYR  56           HE2      TYR  56   8.506  -8.052   2.799
  416    HH   TYR  56           HH       TYR  56   6.372  -8.835   3.146
  417    H    GLY  57           HN       GLY  57  10.377  -1.853   7.383
  418    HA2  GLY  57           HA2      GLY  57  12.251  -0.620   7.932
  419    HA3  GLY  57           HA1      GLY  57  13.229  -1.838   7.121
  420    H    VAL  58           HN       VAL  58  10.799   0.552   6.215
  421    HA   VAL  58           HA       VAL  58  12.623   1.553   4.173
  422    HB   VAL  58           HB       VAL  58  10.769   1.870   2.523
  423   HG11  VAL  58          HG11      VAL  58  11.289  -0.975   3.323
  424   HG12  VAL  58          HG12      VAL  58  12.296   0.022   2.264
  425   HG13  VAL  58          HG13      VAL  58  10.667  -0.440   1.759
  426   HG21  VAL  58          HG21      VAL  58   8.866   1.765   4.033
  427   HG22  VAL  58          HG22      VAL  58   9.219   0.070   4.383
  428   HG23  VAL  58          HG23      VAL  58   8.709   0.548   2.764
  429    H    SER  59           HN       SER  59  11.533   3.619   3.091
  430    HA   SER  59           HA       SER  59  10.496   5.257   5.277
  431    HB2  SER  59           HB2      SER  59  12.576   6.078   3.236
  432    HB3  SER  59           HB1      SER  59  11.975   7.047   4.582
  433    HG   SER  59           HG       SER  59  14.062   5.694   4.677
  434    H    ILE  60           HN       ILE  60   8.519   5.752   4.619
  435    HA   ILE  60           HA       ILE  60   8.141   6.487   1.800
  436    HB   ILE  60           HB       ILE  60   6.131   5.080   3.593
  437   HG12  ILE  60          HG12      ILE  60   7.576   4.066   1.130
  438   HG13  ILE  60          HG11      ILE  60   7.989   3.630   2.783
  439   HG21  ILE  60          HG21      ILE  60   5.933   5.921   0.693
  440   HG22  ILE  60          HG22      ILE  60   5.066   6.649   2.043
  441   HG23  ILE  60          HG23      ILE  60   4.723   4.983   1.573
  442   HD11  ILE  60          HD11      ILE  60   5.800   2.576   3.037
  443   HD12  ILE  60          HD12      ILE  60   6.714   1.891   1.688
  444   HD13  ILE  60          HD13      ILE  60   5.401   3.027   1.378
  445    HA   PRO  61           HA       PRO  61   7.114  10.325   3.917
  446    HB2  PRO  61           HB2      PRO  61   6.501  11.119   1.129
  447    HB3  PRO  61           HB1      PRO  61   7.559  11.899   2.306
  448    HG2  PRO  61           HG2      PRO  61   8.569  10.552   0.230
  449    HG3  PRO  61           HG1      PRO  61   9.347  10.521   1.823
  450    HD2  PRO  61           HD2      PRO  61   7.637   8.456   0.505
  451    HD3  PRO  61           HD1      PRO  61   9.091   8.249   1.505
  452    H    ASP  62           HN       ASP  62   5.247  10.769   4.734
  453    HA   ASP  62           HA       ASP  62   2.964   9.259   4.257
  454    HB2  ASP  62           HB2      ASP  62   1.828  10.628   5.878
  455    HB3  ASP  62           HB1      ASP  62   3.486  10.408   6.408
  456    H    ASP  63           HN       ASP  63   3.785  12.438   3.059
  457    HA   ASP  63           HA       ASP  63   1.253  13.112   2.023
  458    HB2  ASP  63           HB2      ASP  63   2.357  14.879   0.787
  459    HB3  ASP  63           HB1      ASP  63   3.069  14.766   2.386
  460    H    VAL  64           HN       VAL  64   3.785  11.152   0.773
  461    HA   VAL  64           HA       VAL  64   2.976  11.050  -1.968
  462    HB   VAL  64           HB       VAL  64   4.518   9.116  -0.270
  463   HG11  VAL  64          HG11      VAL  64   3.685   8.017  -2.318
  464   HG12  VAL  64          HG12      VAL  64   5.431   8.243  -2.437
  465   HG13  VAL  64          HG13      VAL  64   4.342   9.322  -3.306
  466   HG21  VAL  64          HG21      VAL  64   5.544  11.313  -0.399
  467   HG22  VAL  64          HG22      VAL  64   5.497  11.252  -2.163
  468   HG23  VAL  64          HG23      VAL  64   6.521  10.127  -1.268
  469    H    ALA  65           HN       ALA  65   2.374   9.062   0.869
  470    HA   ALA  65           HA       ALA  65   0.943   6.996  -0.409
  471    HB1  ALA  65           HB1      ALA  65   0.238   6.337   1.824
  472    HB2  ALA  65           HB2      ALA  65   0.779   7.889   2.465
  473    HB3  ALA  65           HB3      ALA  65   1.953   6.749   1.807
  474    H    GLY  66           HN       GLY  66   0.016  10.144   0.607
  475    HA2  GLY  66           HA2      GLY  66  -2.823   9.593   0.559
  476    HA3  GLY  66           HA1      GLY  66  -2.073  11.175   0.720
  477    H    ARG  67           HN       ARG  67  -0.660   9.671  -1.874
  478    HA   ARG  67           HA       ARG  67  -2.550  10.914  -3.755
  479    HB2  ARG  67           HB2      ARG  67  -0.361  12.088  -3.505
  480    HB3  ARG  67           HB1      ARG  67   0.444  10.616  -4.025
  481    HG2  ARG  67           HG2      ARG  67  -0.772  10.781  -6.180
  482    HG3  ARG  67           HG1      ARG  67  -1.412  12.336  -5.648
  483    HD2  ARG  67           HD2      ARG  67   0.809  13.240  -5.503
  484    HD3  ARG  67           HD1      ARG  67   1.511  11.666  -5.890
  485    HE   ARG  67           HE       ARG  67  -0.306  12.957  -7.775
  486   HH11  ARG  67          HH11      ARG  67   2.963  11.729  -7.036
  487   HH12  ARG  67          HH12      ARG  67   3.538  11.889  -8.618
  488   HH21  ARG  67          HH21      ARG  67   0.470  13.167  -9.947
  489   HH22  ARG  67          HH22      ARG  67   2.086  12.761 -10.336
  490    H    VAL  68           HN       VAL  68  -1.487   7.922  -2.727
  491    HA   VAL  68           HA       VAL  68  -0.990   6.775  -5.312
  492    HB   VAL  68           HB       VAL  68  -0.953   4.546  -4.180
  493   HG11  VAL  68          HG11      VAL  68   1.071   4.944  -2.847
  494   HG12  VAL  68          HG12      VAL  68   0.725   6.673  -2.873
  495   HG13  VAL  68          HG13      VAL  68   1.079   5.820  -4.378
  496   HG21  VAL  68          HG21      VAL  68  -1.463   6.122  -1.649
  497   HG22  VAL  68          HG22      VAL  68  -1.026   4.414  -1.730
  498   HG23  VAL  68          HG23      VAL  68  -2.568   4.963  -2.387
  499    H    ASP  69           HN       ASP  69  -2.420   6.511  -6.752
  500    HA   ASP  69           HA       ASP  69  -5.243   6.397  -6.190
  501    HB2  ASP  69           HB2      ASP  69  -3.792   6.012  -8.810
  502    HB3  ASP  69           HB1      ASP  69  -5.530   6.126  -8.634
  503    H    THR  70           HN       THR  70  -2.856   4.091  -7.427
  504    HA   THR  70           HA       THR  70  -4.902   1.987  -7.243
  505    HB   THR  70           HB       THR  70  -3.494   0.758  -8.886
  506    HG1  THR  70           HG1      THR  70  -2.139   2.937  -9.848
  507   HG21  THR  70          HG21      THR  70  -4.146   2.080 -10.859
  508   HG22  THR  70          HG22      THR  70  -4.443   3.475  -9.815
  509   HG23  THR  70          HG23      THR  70  -5.440   2.031  -9.660
  510    HA   PRO  71           HA       PRO  71  -2.239  -0.150  -4.324
  511    HB2  PRO  71           HB2      PRO  71  -3.070  -2.610  -5.791
  512    HB3  PRO  71           HB1      PRO  71  -3.197  -2.240  -4.065
  513    HG2  PRO  71           HG2      PRO  71  -5.361  -2.216  -5.585
  514    HG3  PRO  71           HG1      PRO  71  -5.123  -0.966  -4.347
  515    HD2  PRO  71           HD2      PRO  71  -4.689  -0.805  -7.308
  516    HD3  PRO  71           HD1      PRO  71  -5.455   0.370  -6.218
  517    H    ARG  72           HN       ARG  72  -2.191  -0.627  -7.762
  518    HA   ARG  72           HA       ARG  72   0.218  -2.047  -8.041
  519    HB2  ARG  72           HB2      ARG  72  -1.400  -1.757  -9.884
  520    HB3  ARG  72           HB1      ARG  72  -1.045  -0.035  -9.933
  521    HG2  ARG  72           HG2      ARG  72   1.285  -0.579 -10.544
  522    HG3  ARG  72           HG1      ARG  72   0.847  -2.282 -10.584
  523    HD2  ARG  72           HD2      ARG  72  -0.359  -0.116 -12.302
  524    HD3  ARG  72           HD1      ARG  72   0.876  -1.257 -12.821
  525    HE   ARG  72           HE       ARG  72  -1.892  -1.982 -12.099
  526   HH11  ARG  72          HH11      ARG  72   1.102  -2.600 -13.927
  527   HH12  ARG  72          HH12      ARG  72   0.425  -3.843 -14.871
  528   HH21  ARG  72          HH21      ARG  72  -2.859  -3.695 -13.520
  529   HH22  ARG  72          HH22      ARG  72  -1.850  -4.428 -14.659
  530    H    GLU  73           HN       GLU  73  -0.553   1.417  -7.935
  531    HA   GLU  73           HA       GLU  73   2.040   2.447  -8.338
  532    HB2  GLU  73           HB2      GLU  73  -0.158   3.664  -8.560
  533    HB3  GLU  73           HB1      GLU  73  -0.257   3.684  -6.810
  534    HG2  GLU  73           HG2      GLU  73   0.526   5.813  -7.640
  535    HG3  GLU  73           HG1      GLU  73   1.792   5.006  -6.717
  536    H    LEU  74           HN       LEU  74   0.143   1.694  -5.477
  537    HA   LEU  74           HA       LEU  74   1.953   2.593  -3.522
  538    HB2  LEU  74           HB2      LEU  74  -0.509   2.072  -3.249
  539    HB3  LEU  74           HB1      LEU  74  -0.115   0.379  -3.309
  540    HG   LEU  74           HG       LEU  74  -0.649   1.279  -1.047
  541   HD11  LEU  74          HD11      LEU  74   1.157   0.174   0.164
  542   HD12  LEU  74          HD12      LEU  74   2.105   0.118  -1.325
  543   HD13  LEU  74          HD13      LEU  74   0.592  -0.778  -1.209
  544   HD21  LEU  74          HD21      LEU  74   1.046   2.580   0.154
  545   HD22  LEU  74          HD22      LEU  74   0.365   3.459  -1.213
  546   HD23  LEU  74          HD23      LEU  74   1.972   2.736  -1.342
  547    H    LEU  75           HN       LEU  75   1.474  -0.571  -5.027
  548    HA   LEU  75           HA       LEU  75   3.405  -2.086  -3.679
  549    HB2  LEU  75           HB2      LEU  75   1.641  -2.980  -5.154
  550    HB3  LEU  75           HB1      LEU  75   2.445  -2.278  -6.537
  551    HG   LEU  75           HG       LEU  75   4.384  -3.788  -6.099
  552   HD11  LEU  75          HD11      LEU  75   4.043  -5.701  -4.628
  553   HD12  LEU  75          HD12      LEU  75   2.500  -5.018  -4.108
  554   HD13  LEU  75          HD13      LEU  75   4.006  -4.176  -3.744
  555   HD21  LEU  75          HD21      LEU  75   1.717  -5.129  -6.531
  556   HD22  LEU  75          HD22      LEU  75   3.291  -5.797  -6.962
  557   HD23  LEU  75          HD23      LEU  75   2.698  -4.344  -7.769
  558    H    ASP  76           HN       ASP  76   3.558  -0.210  -6.664
  559    HA   ASP  76           HA       ASP  76   6.194  -0.799  -7.405
  560    HB2  ASP  76           HB2      ASP  76   4.569   0.136  -8.963
  561    HB3  ASP  76           HB1      ASP  76   4.528   1.637  -8.046
  562    H    LEU  77           HN       LEU  77   4.871   1.905  -5.588
  563    HA   LEU  77           HA       LEU  77   7.138   3.424  -5.145
  564    HB2  LEU  77           HB2      LEU  77   4.966   4.214  -4.530
  565    HB3  LEU  77           HB1      LEU  77   4.743   2.897  -3.402
  566    HG   LEU  77           HG       LEU  77   6.549   3.863  -1.989
  567   HD11  LEU  77          HD11      LEU  77   7.763   5.102  -3.677
  568   HD12  LEU  77          HD12      LEU  77   7.274   6.146  -2.347
  569   HD13  LEU  77          HD13      LEU  77   6.394   6.200  -3.881
  570   HD21  LEU  77          HD21      LEU  77   4.220   5.677  -2.578
  571   HD22  LEU  77          HD22      LEU  77   5.200   5.697  -1.111
  572   HD23  LEU  77          HD23      LEU  77   4.217   4.284  -1.493
  573    H    ILE  78           HN       ILE  78   5.867   0.803  -3.127
  574    HA   ILE  78           HA       ILE  78   7.992   0.996  -1.259
  575    HB   ILE  78           HB       ILE  78   6.094  -1.339  -1.643
  576   HG12  ILE  78          HG12      ILE  78   5.888   1.127   0.094
  577   HG13  ILE  78          HG11      ILE  78   4.910   0.777  -1.326
  578   HG21  ILE  78          HG21      ILE  78   8.077  -1.860  -0.265
  579   HG22  ILE  78          HG22      ILE  78   6.616  -1.804   0.723
  580   HG23  ILE  78          HG23      ILE  78   7.745  -0.447   0.737
  581   HD11  ILE  78          HD11      ILE  78   3.963  -1.155  -0.186
  582   HD12  ILE  78          HD12      ILE  78   3.697   0.344   0.708
  583   HD13  ILE  78          HD13      ILE  78   4.946  -0.782   1.233
  584    H    ASN  79           HN       ASN  79   7.322  -1.259  -3.934
  585    HA   ASN  79           HA       ASN  79   9.620  -2.836  -3.548
  586    HB2  ASN  79           HB2      ASN  79   8.021  -2.311  -6.050
  587    HB3  ASN  79           HB1      ASN  79   9.422  -3.371  -6.037
  588   HD21  ASN  79          HD21      ASN  79   6.686  -3.968  -6.634
  589   HD22  ASN  79          HD22      ASN  79   6.177  -5.200  -5.518
  590    H    GLY  80           HN       GLY  80   9.203   0.241  -5.119
  591    HA2  GLY  80           HA2      GLY  80  11.706   0.382  -6.417
  592    HA3  GLY  80           HA1      GLY  80  10.732   1.755  -5.906
  593    H    ALA  81           HN       ALA  81  10.733   0.912  -3.123
  594    HA   ALA  81           HA       ALA  81  13.316   1.970  -2.348
  595    HB1  ALA  81           HB1      ALA  81  11.284   2.772  -1.215
  596    HB2  ALA  81           HB2      ALA  81  12.372   1.992  -0.071
  597    HB3  ALA  81           HB3      ALA  81  10.943   1.137  -0.652
  598    H    LEU  82           HN       LEU  82  11.444  -0.976  -1.963
  599    HA   LEU  82           HA       LEU  82  13.175  -2.454  -0.335
  600    HB2  LEU  82           HB2      LEU  82  11.117  -3.331  -2.332
  601    HB3  LEU  82           HB1      LEU  82  11.967  -4.437  -1.279
  602    HG   LEU  82           HG       LEU  82  10.181  -2.193  -0.333
  603   HD11  LEU  82          HD11      LEU  82   9.703  -5.167  -0.479
  604   HD12  LEU  82          HD12      LEU  82   8.927  -3.945  -1.485
  605   HD13  LEU  82          HD13      LEU  82   8.621  -3.983   0.251
  606   HD21  LEU  82          HD21      LEU  82  11.502  -4.468   1.146
  607   HD22  LEU  82          HD22      LEU  82  10.382  -3.295   1.841
  608   HD23  LEU  82          HD23      LEU  82  11.957  -2.769   1.247
  609    H    ALA  83           HN       ALA  83  13.186  -1.973  -3.785
  610    HA   ALA  83           HA       ALA  83  14.809  -4.060  -4.606
  611    HB1  ALA  83           HB1      ALA  83  14.779  -1.256  -5.715
  612    HB2  ALA  83           HB2      ALA  83  13.659  -2.545  -6.149
  613    HB3  ALA  83           HB3      ALA  83  15.374  -2.696  -6.539
  614    H    GLU  84           HN       GLU  84  15.697  -1.042  -3.070
  615    HA   GLU  84           HA       GLU  84  18.402  -2.097  -2.989
  616    HB2  GLU  84           HB2      GLU  84  18.267   0.078  -4.203
  617    HB3  GLU  84           HB1      GLU  84  17.623   0.823  -2.746
  618    HG2  GLU  84           HG2      GLU  84  19.687   0.342  -1.563
  619    HG3  GLU  84           HG1      GLU  84  20.330  -0.462  -2.993
  620    H    ALA  85           HN       ALA  85  17.385  -3.354  -1.407
  621    HA   ALA  85           HA       ALA  85  17.927  -2.325   1.250
  622    HB1  ALA  85           HB1      ALA  85  15.319  -3.695   0.522
  623    HB2  ALA  85           HB2      ALA  85  15.493  -2.015   1.029
  624    HB3  ALA  85           HB3      ALA  85  15.846  -3.319   2.165
  625    H    ALA  86           HN       ALA  86  16.601  -5.051  -0.558
  626    HA   ALA  86           HA       ALA  86  17.253  -7.136  -0.952
  627    HB1  ALA  86           HB1      ALA  86  19.513  -7.938  -0.508
  628    HB2  ALA  86           HB2      ALA  86  19.836  -6.535   0.511
  629    HB3  ALA  86           HB3      ALA  86  19.575  -6.325  -1.223
  630    H28  SXV  87          H28A      SXV  87  -7.008  14.072   3.182
  631   H28A  SXV  87          H28B      SXV  87  -7.169  12.832   4.431
  632    H30  SXV  87          H30C      SXV  87  -4.382  11.816   4.387
  633   H30A  SXV  87          H30A      SXV  87  -5.311  12.222   5.831
  634   H30B  SXV  87          H30B      SXV  87  -3.707  12.918   5.588
  635    H31  SXV  87          H31C      SXV  87  -4.704  15.072   2.733
  636   H31A  SXV  87          H31A      SXV  87  -3.967  13.473   2.649
  637   H31B  SXV  87          H31B      SXV  87  -3.350  14.664   3.794
  638    H32  SXV  87          H32A      SXV  87  -4.679  15.238   5.937
  639   HO33  SXV  87          H33A      SXV  87  -7.322  14.840   6.100
  640   HN36  SXV  87          H36A      SXV  87  -4.611  16.767   3.978
  641    H37  SXV  87          H37B      SXV  87  -6.794  18.627   4.083
  642   H37A  SXV  87          H37A      SXV  87  -6.637  17.854   2.513
  643    H38  SXV  87          H38B      SXV  87  -4.458  19.414   3.930
  644   H38A  SXV  87          H38A      SXV  87  -5.494  20.034   2.644
  645   HN41  SXV  87          H41A      SXV  87  -2.961  20.302   2.271
  646    H42  SXV  87          H42B      SXV  87  -2.366  19.312  -0.216
  647   H42A  SXV  87          H42A      SXV  87  -1.567  18.210   0.898
  648    H43  SXV  87          H43B      SXV  87  -1.223  21.204   0.870
  649   H43A  SXV  87          H43A      SXV  87  -0.287  20.070   1.827
  650    H1   SXV  87           H1B      SXV  87  -0.091  20.287  -2.800
  651    H1A  SXV  87           H1A      SXV  87  -1.545  19.883  -1.873
  652    H2   SXV  87           H2A      SXV  87  -1.575  22.143  -0.948
  653    H2A  SXV  87           H2B      SXV  87  -1.923  22.041  -2.676
  654    H4   SXV  87           H4C      SXV  87  -0.527  24.480  -0.798
  655    H4A  SXV  87           H4A      SXV  87   1.115  24.555  -1.443
  656    H4B  SXV  87           H4B      SXV  87   0.691  23.323  -0.245
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  20.862  -6.790  -5.342
    2    H2   MET   1           HT2      MET   1  20.924  -6.012  -3.849
    3    H3   MET   1           HT3      MET   1  19.709  -5.594  -4.977
    4    HA   MET   1           HA       MET   1  18.749  -7.751  -4.792
    5    HB2  MET   1           HB2      MET   1  20.770  -9.013  -4.178
    6    HB3  MET   1           HB1      MET   1  20.861  -8.153  -2.647
    7    HG2  MET   1           HG2      MET   1  18.728  -9.157  -1.966
    8    HG3  MET   1           HG1      MET   1  18.655 -10.027  -3.494
    9    HE1  MET   1           HE1      MET   1  19.376 -12.848  -0.860
   10    HE2  MET   1           HE2      MET   1  18.288 -12.283  -2.130
   11    HE3  MET   1           HE3      MET   1  18.403 -11.398  -0.609
   12    H    ALA   2           HN       ALA   2  16.895  -7.261  -3.947
   13    HA   ALA   2           HA       ALA   2  16.736  -6.122  -1.267
   14    HB1  ALA   2           HB1      ALA   2  16.732  -4.227  -2.803
   15    HB2  ALA   2           HB2      ALA   2  15.144  -4.442  -2.069
   16    HB3  ALA   2           HB3      ALA   2  15.429  -4.966  -3.728
   17    H    THR   3           HN       THR   3  14.774  -6.712  -0.229
   18    HA   THR   3           HA       THR   3  13.370  -8.909  -1.451
   19    HB   THR   3           HB       THR   3  12.833  -7.424   1.060
   20    HG1  THR   3           HG1      THR   3  14.932  -9.034   0.379
   21   HG21  THR   3          HG21      THR   3  11.045  -8.940   0.385
   22   HG22  THR   3          HG22      THR   3  11.851  -9.574   1.819
   23   HG23  THR   3          HG23      THR   3  12.199 -10.265   0.235
   24    H    LEU   4           HN       LEU   4  11.991  -8.216  -3.025
   25    HA   LEU   4           HA       LEU   4  10.459  -5.781  -2.601
   26    HB2  LEU   4           HB2      LEU   4  10.466  -7.661  -4.969
   27    HB3  LEU   4           HB1      LEU   4   9.675  -6.103  -4.895
   28    HG   LEU   4           HG       LEU   4  12.646  -6.615  -4.910
   29   HD11  LEU   4          HD11      LEU   4  10.824  -5.297  -6.907
   30   HD12  LEU   4          HD12      LEU   4  11.594  -6.876  -7.071
   31   HD13  LEU   4          HD13      LEU   4  12.580  -5.414  -7.034
   32   HD21  LEU   4          HD21      LEU   4  12.135  -4.727  -3.451
   33   HD22  LEU   4          HD22      LEU   4  11.166  -3.992  -4.729
   34   HD23  LEU   4          HD23      LEU   4  12.907  -4.183  -4.940
   35    H    LEU   5           HN       LEU   5   8.543  -5.885  -1.656
   36    HA   LEU   5           HA       LEU   5   7.355  -8.385  -1.127
   37    HB2  LEU   5           HB2      LEU   5   5.467  -7.099  -0.122
   38    HB3  LEU   5           HB1      LEU   5   7.033  -6.742   0.552
   39    HG   LEU   5           HG       LEU   5   7.004  -4.604  -0.849
   40   HD11  LEU   5          HD11      LEU   5   5.253  -5.204  -2.436
   41   HD12  LEU   5          HD12      LEU   5   4.825  -3.751  -1.531
   42   HD13  LEU   5          HD13      LEU   5   4.083  -5.295  -1.120
   43   HD21  LEU   5          HD21      LEU   5   4.925  -5.015   1.267
   44   HD22  LEU   5          HD22      LEU   5   5.552  -3.449   0.742
   45   HD23  LEU   5          HD23      LEU   5   6.621  -4.620   1.528
   46    H    THR   6           HN       THR   6   5.500  -9.318  -1.897
   47    HA   THR   6           HA       THR   6   4.950  -8.561  -4.616
   48    HB   THR   6           HB       THR   6   3.790 -10.793  -4.616
   49    HG1  THR   6           HG1      THR   6   4.285 -12.144  -2.817
   50   HG21  THR   6          HG21      THR   6   5.892 -12.081  -4.646
   51   HG22  THR   6          HG22      THR   6   6.712 -10.764  -3.806
   52   HG23  THR   6          HG23      THR   6   6.102 -10.522  -5.441
   53    H    THR   7           HN       THR   7   2.515  -9.354  -5.121
   54    HA   THR   7           HA       THR   7   0.849  -7.472  -3.895
   55    HB   THR   7           HB       THR   7  -0.905  -8.788  -5.290
   56    HG1  THR   7           HG1      THR   7  -0.039 -10.600  -5.977
   57   HG21  THR   7          HG21      THR   7  -0.109  -7.662  -7.335
   58   HG22  THR   7          HG22      THR   7   1.470  -7.428  -6.586
   59   HG23  THR   7          HG23      THR   7   0.052  -6.615  -5.925
   60    H    ASP   8           HN       ASP   8   1.709 -10.594  -2.987
   61    HA   ASP   8           HA       ASP   8  -0.757 -11.242  -1.663
   62    HB2  ASP   8           HB2      ASP   8   1.990 -12.509  -1.467
   63    HB3  ASP   8           HB1      ASP   8   0.563 -13.121  -0.638
   64    H    ASP   9           HN       ASP   9   2.448 -10.149  -0.689
   65    HA   ASP   9           HA       ASP   9   1.780  -9.867   2.069
   66    HB2  ASP   9           HB2      ASP   9   4.139 -10.058   1.278
   67    HB3  ASP   9           HB1      ASP   9   3.979  -8.485   0.513
   68    H    LEU  10           HN       LEU  10   1.862  -7.695  -0.695
   69    HA   LEU  10           HA       LEU  10   1.200  -5.275   0.493
   70    HB2  LEU  10           HB2      LEU  10   1.838  -5.523  -1.861
   71    HB3  LEU  10           HB1      LEU  10   0.337  -6.361  -2.190
   72    HG   LEU  10           HG       LEU  10  -0.879  -4.265  -1.555
   73   HD11  LEU  10          HD11      LEU  10   1.880  -3.069  -1.618
   74   HD12  LEU  10          HD12      LEU  10   0.834  -3.223  -0.209
   75   HD13  LEU  10          HD13      LEU  10   0.365  -2.169  -1.542
   76   HD21  LEU  10          HD21      LEU  10   1.059  -4.084  -3.857
   77   HD22  LEU  10          HD22      LEU  10  -0.408  -3.123  -3.666
   78   HD23  LEU  10          HD23      LEU  10  -0.521  -4.871  -3.877
   79    H    ARG  11           HN       ARG  11  -0.903  -7.852  -0.721
   80    HA   ARG  11           HA       ARG  11  -3.422  -6.756  -0.302
   81    HB2  ARG  11           HB2      ARG  11  -2.969  -8.897  -1.435
   82    HB3  ARG  11           HB1      ARG  11  -2.562  -9.612   0.115
   83    HG2  ARG  11           HG2      ARG  11  -4.919  -9.004   0.846
   84    HG3  ARG  11           HG1      ARG  11  -5.246  -8.681  -0.860
   85    HD2  ARG  11           HD2      ARG  11  -4.399 -11.273   0.402
   86    HD3  ARG  11           HD1      ARG  11  -5.908 -10.923  -0.438
   87    HE   ARG  11           HE       ARG  11  -4.466 -10.601  -2.452
   88   HH11  ARG  11          HH11      ARG  11  -3.630 -12.789   0.193
   89   HH12  ARG  11          HH12      ARG  11  -2.589 -13.775  -0.715
   90   HH21  ARG  11          HH21      ARG  11  -2.995 -11.938  -3.751
   91   HH22  ARG  11          HH22      ARG  11  -2.153 -13.241  -3.024
   92    H    ARG  12           HN       ARG  12  -1.481  -8.792   1.841
   93    HA   ARG  12           HA       ARG  12  -3.289  -8.897   3.972
   94    HB2  ARG  12           HB2      ARG  12  -0.279  -9.078   4.149
   95    HB3  ARG  12           HB1      ARG  12  -1.426  -9.653   5.348
   96    HG2  ARG  12           HG2      ARG  12  -2.300 -11.256   3.665
   97    HG3  ARG  12           HG1      ARG  12  -1.020 -10.735   2.567
   98    HD2  ARG  12           HD2      ARG  12  -0.299 -12.730   3.662
   99    HD3  ARG  12           HD1      ARG  12   0.637 -11.379   4.310
  100    HE   ARG  12           HE       ARG  12  -1.763 -12.166   5.738
  101   HH11  ARG  12          HH11      ARG  12   1.790 -12.123   5.675
  102   HH12  ARG  12          HH12      ARG  12   1.973 -12.723   7.250
  103   HH21  ARG  12          HH21      ARG  12  -1.524 -12.936   7.929
  104   HH22  ARG  12          HH22      ARG  12   0.002 -13.246   8.577
  105    H    ALA  13           HN       ALA  13  -0.549  -6.743   3.413
  106    HA   ALA  13           HA       ALA  13  -0.803  -5.299   5.818
  107    HB1  ALA  13           HB1      ALA  13   0.406  -4.430   3.214
  108    HB2  ALA  13           HB2      ALA  13   1.229  -5.338   4.483
  109    HB3  ALA  13           HB3      ALA  13   0.679  -3.691   4.789
  110    H    LEU  14           HN       LEU  14  -2.228  -4.890   2.633
  111    HA   LEU  14           HA       LEU  14  -3.319  -2.331   3.143
  112    HB2  LEU  14           HB2      LEU  14  -2.976  -3.250   0.863
  113    HB3  LEU  14           HB1      LEU  14  -4.240  -4.421   1.160
  114    HG   LEU  14           HG       LEU  14  -5.901  -2.610   1.290
  115   HD11  LEU  14          HD11      LEU  14  -5.290  -0.326   0.677
  116   HD12  LEU  14          HD12      LEU  14  -3.588  -0.790   0.620
  117   HD13  LEU  14          HD13      LEU  14  -4.462  -0.833   2.150
  118   HD21  LEU  14          HD21      LEU  14  -4.174  -2.501  -1.185
  119   HD22  LEU  14          HD22      LEU  14  -5.849  -1.960  -1.067
  120   HD23  LEU  14          HD23      LEU  14  -5.459  -3.666  -0.863
  121    H    VAL  15           HN       VAL  15  -4.401  -5.579   3.792
  122    HA   VAL  15           HA       VAL  15  -7.027  -4.813   4.649
  123    HB   VAL  15           HB       VAL  15  -5.388  -7.241   5.496
  124   HG11  VAL  15          HG11      VAL  15  -7.231  -6.787   7.028
  125   HG12  VAL  15          HG12      VAL  15  -7.549  -8.244   6.087
  126   HG13  VAL  15          HG13      VAL  15  -8.361  -6.735   5.675
  127   HG21  VAL  15          HG21      VAL  15  -7.454  -6.973   3.309
  128   HG22  VAL  15          HG22      VAL  15  -6.671  -8.473   3.806
  129   HG23  VAL  15          HG23      VAL  15  -5.718  -7.181   3.075
  130    H    GLU  16           HN       GLU  16  -3.954  -5.445   6.255
  131    HA   GLU  16           HA       GLU  16  -4.601  -5.001   8.916
  132    HB2  GLU  16           HB2      GLU  16  -1.915  -4.378   7.592
  133    HB3  GLU  16           HB1      GLU  16  -2.246  -4.490   9.294
  134    HG2  GLU  16           HG2      GLU  16  -2.846  -6.804   9.152
  135    HG3  GLU  16           HG1      GLU  16  -2.657  -6.774   7.398
  136    H    SER  17           HN       SER  17  -4.436  -2.683   6.445
  137    HA   SER  17           HA       SER  17  -3.721  -0.395   7.965
  138    HB2  SER  17           HB2      SER  17  -5.316  -0.533   5.416
  139    HB3  SER  17           HB1      SER  17  -4.387   0.838   6.029
  140    HG   SER  17           HG       SER  17  -3.041  -1.604   5.656
  141    H    ALA  18           HN       ALA  18  -6.740  -2.044   7.267
  142    HA   ALA  18           HA       ALA  18  -8.208   0.006   8.751
  143    HB1  ALA  18           HB1      ALA  18  -9.236  -2.287   7.083
  144    HB2  ALA  18           HB2      ALA  18  -9.118  -0.605   6.564
  145    HB3  ALA  18           HB3      ALA  18 -10.224  -1.052   7.864
  146    H    GLY  19           HN       GLY  19  -7.049  -3.220   8.840
  147    HA2  GLY  19           HA2      GLY  19  -6.690  -4.318  10.906
  148    HA3  GLY  19           HA1      GLY  19  -8.086  -3.465  11.563
  149    H    GLU  20           HN       GLU  20  -9.517  -4.969  12.050
  150    HA   GLU  20           HA       GLU  20  -9.856  -7.236  10.362
  151    HB2  GLU  20           HB2      GLU  20 -11.446  -6.297  12.750
  152    HB3  GLU  20           HB1      GLU  20 -11.750  -7.802  11.894
  153    HG2  GLU  20           HG2      GLU  20  -9.244  -7.052  13.387
  154    HG3  GLU  20           HG1      GLU  20 -10.447  -8.253  13.860
  155    H    THR  21           HN       THR  21 -10.396  -6.601   8.449
  156    HA   THR  21           HA       THR  21 -13.127  -5.725   8.062
  157    HB   THR  21           HB       THR  21 -10.785  -4.411   6.675
  158    HG1  THR  21           HG1      THR  21 -11.998  -3.933   9.014
  159   HG21  THR  21          HG21      THR  21 -12.798  -4.544   5.264
  160   HG22  THR  21          HG22      THR  21 -12.491  -2.876   5.742
  161   HG23  THR  21          HG23      THR  21 -13.756  -3.806   6.547
  162    H    ASP  22           HN       ASP  22 -13.165  -7.981   7.627
  163    HA   ASP  22           HA       ASP  22 -11.994  -8.889   5.132
  164    HB2  ASP  22           HB2      ASP  22 -13.928 -10.269   7.026
  165    HB3  ASP  22           HB1      ASP  22 -13.315 -10.997   5.547
  166    H    GLY  23           HN       GLY  23 -13.537  -9.890   3.510
  167    HA2  GLY  23           HA2      GLY  23 -15.623  -9.688   2.360
  168    HA3  GLY  23           HA1      GLY  23 -15.934  -8.200   3.255
  169    H    THR  24           HN       THR  24 -13.467  -6.956   2.922
  170    HA   THR  24           HA       THR  24 -13.625  -5.935   0.267
  171    HB   THR  24           HB       THR  24 -11.461  -5.506   2.361
  172    HG1  THR  24           HG1      THR  24 -12.962  -3.532   2.683
  173   HG21  THR  24          HG21      THR  24 -10.943  -4.632   0.113
  174   HG22  THR  24          HG22      THR  24 -11.206  -3.317   1.259
  175   HG23  THR  24          HG23      THR  24 -12.468  -3.748   0.105
  176    H    ASP  25           HN       ASP  25 -13.262  -7.902  -0.875
  177    HA   ASP  25           HA       ASP  25 -10.972  -9.511  -0.541
  178    HB2  ASP  25           HB2      ASP  25 -12.944 -10.445  -1.573
  179    HB3  ASP  25           HB1      ASP  25 -12.813  -9.307  -2.917
  180    H    LEU  26           HN       LEU  26  -9.017  -9.244  -1.104
  181    HA   LEU  26           HA       LEU  26  -8.304  -7.504  -3.398
  182    HB2  LEU  26           HB2      LEU  26  -6.829  -7.902  -0.803
  183    HB3  LEU  26           HB1      LEU  26  -6.362  -6.845  -2.116
  184    HG   LEU  26           HG       LEU  26  -8.905  -6.459  -0.567
  185   HD11  LEU  26          HD11      LEU  26  -7.673  -4.819   0.739
  186   HD12  LEU  26          HD12      LEU  26  -6.186  -5.298  -0.112
  187   HD13  LEU  26          HD13      LEU  26  -7.040  -6.464   0.907
  188   HD21  LEU  26          HD21      LEU  26  -7.236  -4.619  -2.289
  189   HD22  LEU  26          HD22      LEU  26  -8.714  -4.176  -1.435
  190   HD23  LEU  26          HD23      LEU  26  -8.773  -5.350  -2.751
  191    H    SER  27           HN       SER  27  -8.771 -10.379  -2.909
  192    HA   SER  27           HA       SER  27  -6.227 -11.657  -2.756
  193    HB2  SER  27           HB2      SER  27  -8.823 -12.944  -3.554
  194    HB3  SER  27           HB1      SER  27  -7.397 -13.737  -2.878
  195    HG   SER  27           HG       SER  27  -9.399 -12.316  -1.680
  196    H    GLY  28           HN       GLY  28  -7.829 -10.348  -5.277
  197    HA2  GLY  28           HA2      GLY  28  -5.801 -11.121  -7.132
  198    HA3  GLY  28           HA1      GLY  28  -7.270 -12.034  -7.427
  199    H    ASP  29           HN       ASP  29  -5.658  -9.802  -8.748
  200    HA   ASP  29           HA       ASP  29  -6.018  -8.149 -10.250
  201    HB2  ASP  29           HB2      ASP  29  -8.912  -9.011 -10.080
  202    HB3  ASP  29           HB1      ASP  29  -8.276  -7.900 -11.287
  203    H    PHE  30           HN       PHE  30  -6.028  -7.587  -7.561
  204    HA   PHE  30           HA       PHE  30  -7.982  -5.488  -7.143
  205    HB2  PHE  30           HB2      PHE  30  -7.123  -5.288  -4.897
  206    HB3  PHE  30           HB1      PHE  30  -7.328  -6.991  -5.273
  207    HD1  PHE  30           HD2      PHE  30  -5.165  -8.185  -6.157
  208    HD2  PHE  30           HD1      PHE  30  -5.161  -4.591  -3.880
  209    HE1  PHE  30           HE2      PHE  30  -2.836  -8.611  -5.500
  210    HE2  PHE  30           HE1      PHE  30  -2.827  -5.010  -3.226
  211    HZ   PHE  30           HZ       PHE  30  -1.703  -6.992  -3.892
  212    H    LEU  31           HN       LEU  31  -5.259  -5.574  -8.887
  213    HA   LEU  31           HA       LEU  31  -4.027  -3.136  -7.931
  214    HB2  LEU  31           HB2      LEU  31  -3.471  -4.750 -10.422
  215    HB3  LEU  31           HB1      LEU  31  -2.517  -3.396  -9.861
  216    HG   LEU  31           HG       LEU  31  -2.823  -6.059  -8.474
  217   HD11  LEU  31          HD11      LEU  31  -1.433  -6.159 -10.463
  218   HD12  LEU  31          HD12      LEU  31  -0.451  -6.325  -9.006
  219   HD13  LEU  31          HD13      LEU  31  -0.477  -4.797  -9.883
  220   HD21  LEU  31          HD21      LEU  31  -2.597  -4.246  -6.849
  221   HD22  LEU  31          HD22      LEU  31  -1.176  -3.645  -7.702
  222   HD23  LEU  31          HD23      LEU  31  -1.126  -5.219  -6.908
  223    H    ASP  32           HN       ASP  32  -6.510  -4.041 -10.025
  224    HA   ASP  32           HA       ASP  32  -6.437  -1.509 -11.479
  225    HB2  ASP  32           HB2      ASP  32  -6.886  -3.715 -12.666
  226    HB3  ASP  32           HB1      ASP  32  -8.432  -3.760 -11.828
  227    H    LEU  33           HN       LEU  33  -7.518  -2.608  -8.644
  228    HA   LEU  33           HA       LEU  33 -10.039  -1.238  -8.537
  229    HB2  LEU  33           HB2      LEU  33  -8.321  -2.593  -6.471
  230    HB3  LEU  33           HB1      LEU  33  -9.725  -1.648  -6.027
  231    HG   LEU  33           HG       LEU  33  -9.831  -4.079  -7.823
  232   HD11  LEU  33          HD11      LEU  33  -9.137  -4.660  -5.527
  233   HD12  LEU  33          HD12      LEU  33 -10.779  -5.213  -5.867
  234   HD13  LEU  33          HD13      LEU  33 -10.519  -3.766  -4.892
  235   HD21  LEU  33          HD21      LEU  33 -11.621  -2.459  -8.173
  236   HD22  LEU  33          HD22      LEU  33 -11.948  -2.450  -6.439
  237   HD23  LEU  33          HD23      LEU  33 -12.232  -3.918  -7.384
  238    H    ARG  34           HN       ARG  34 -10.393   0.716  -7.588
  239    HA   ARG  34           HA       ARG  34  -8.014   2.304  -7.082
  240    HB2  ARG  34           HB2      ARG  34 -10.923   3.038  -7.452
  241    HB3  ARG  34           HB1      ARG  34  -9.619   4.178  -7.171
  242    HG2  ARG  34           HG2      ARG  34  -9.823   2.363  -9.557
  243    HG3  ARG  34           HG1      ARG  34 -10.339   4.052  -9.520
  244    HD2  ARG  34           HD2      ARG  34  -8.078   4.714  -8.918
  245    HD3  ARG  34           HD1      ARG  34  -7.542   3.044  -9.012
  246    HE   ARG  34           HE       ARG  34  -8.333   3.195 -11.413
  247   HH11  ARG  34          HH11      ARG  34  -7.277   6.053  -9.637
  248   HH12  ARG  34          HH12      ARG  34  -6.679   6.900 -10.996
  249   HH21  ARG  34          HH21      ARG  34  -7.515   4.336 -13.340
  250   HH22  ARG  34          HH22      ARG  34  -6.822   5.871 -13.164
  251    H    PHE  35           HN       PHE  35  -8.228   3.681  -5.125
  252    HA   PHE  35           HA       PHE  35  -9.091   1.989  -3.011
  253    HB2  PHE  35           HB2      PHE  35  -7.877   4.742  -2.925
  254    HB3  PHE  35           HB1      PHE  35  -8.292   3.804  -1.485
  255    HD1  PHE  35           HD2      PHE  35  -7.347   1.408  -1.370
  256    HD2  PHE  35           HD1      PHE  35  -5.814   4.458  -3.878
  257    HE1  PHE  35           HE2      PHE  35  -5.226   0.180  -1.555
  258    HE2  PHE  35           HE1      PHE  35  -3.716   3.249  -4.093
  259    HZ   PHE  35           HZ       PHE  35  -3.399   1.098  -2.917
  260    H    GLU  36           HN       GLU  36 -10.487   4.541  -4.723
  261    HA   GLU  36           HA       GLU  36 -12.568   5.278  -2.993
  262    HB2  GLU  36           HB2      GLU  36 -13.812   5.862  -5.077
  263    HB3  GLU  36           HB1      GLU  36 -12.164   6.479  -5.075
  264    HG2  GLU  36           HG2      GLU  36 -11.455   4.673  -6.516
  265    HG3  GLU  36           HG1      GLU  36 -13.062   3.969  -6.463
  266    H    ASP  37           HN       ASP  37 -12.099   2.428  -5.002
  267    HA   ASP  37           HA       ASP  37 -14.796   1.479  -4.934
  268    HB2  ASP  37           HB2      ASP  37 -12.247  -0.035  -5.546
  269    HB3  ASP  37           HB1      ASP  37 -13.871  -0.642  -5.792
  270    H    ILE  38           HN       ILE  38 -11.991   1.089  -2.959
  271    HA   ILE  38           HA       ILE  38 -13.417  -0.960  -1.436
  272    HB   ILE  38           HB       ILE  38 -11.203  -1.652  -0.503
  273   HG12  ILE  38          HG12      ILE  38 -10.114   0.151  -2.682
  274   HG13  ILE  38          HG11      ILE  38 -10.007   0.488  -0.963
  275   HG21  ILE  38          HG21      ILE  38 -10.518  -2.836  -2.552
  276   HG22  ILE  38          HG22      ILE  38 -11.562  -1.751  -3.488
  277   HG23  ILE  38          HG23      ILE  38 -12.271  -2.852  -2.312
  278   HD11  ILE  38          HD11      ILE  38  -8.623  -1.509  -0.669
  279   HD12  ILE  38          HD12      ILE  38  -7.910  -0.386  -1.828
  280   HD13  ILE  38          HD13      ILE  38  -8.735  -1.837  -2.398
  281    H    GLY  39           HN       GLY  39 -13.515   1.975  -1.246
  282    HA2  GLY  39           HA2      GLY  39 -13.893   3.553   0.406
  283    HA3  GLY  39           HA1      GLY  39 -14.096   2.186   1.482
  284    H    TYR  40           HN       TYR  40 -11.178   3.217  -0.219
  285    HA   TYR  40           HA       TYR  40  -9.900   3.603   2.387
  286    HB2  TYR  40           HB2      TYR  40  -9.039   2.152  -0.004
  287    HB3  TYR  40           HB1      TYR  40  -7.820   3.239   0.649
  288    HD1  TYR  40           HD2      TYR  40  -9.921   0.292   1.390
  289    HD2  TYR  40           HD1      TYR  40  -6.741   2.790   2.681
  290    HE1  TYR  40           HE2      TYR  40  -9.342  -1.344   3.136
  291    HE2  TYR  40           HE1      TYR  40  -6.144   1.166   4.411
  292    HH   TYR  40           HH       TYR  40  -7.099  -1.887   4.425
  293    H    ASP  41           HN       ASP  41  -9.100   5.494   2.829
  294    HA   ASP  41           HA       ASP  41  -8.903   7.482   0.675
  295    HB2  ASP  41           HB2      ASP  41  -9.024   7.836   3.679
  296    HB3  ASP  41           HB1      ASP  41  -8.636   9.140   2.573
  297    H    SER  42           HN       SER  42  -7.123   9.097   1.086
  298    HA   SER  42           HA       SER  42  -4.621   7.971   0.660
  299    HB2  SER  42           HB2      SER  42  -3.918  10.349   1.111
  300    HB3  SER  42           HB1      SER  42  -5.213  10.165  -0.087
  301    H    LEU  43           HN       LEU  43  -6.045   9.483   3.410
  302    HA   LEU  43           HA       LEU  43  -4.006   9.410   5.289
  303    HB2  LEU  43           HB2      LEU  43  -6.943   9.089   5.843
  304    HB3  LEU  43           HB1      LEU  43  -5.726   9.738   6.926
  305    HG   LEU  43           HG       LEU  43  -6.659  11.012   4.359
  306   HD11  LEU  43          HD11      LEU  43  -8.323  11.143   6.105
  307   HD12  LEU  43          HD12      LEU  43  -7.602  12.720   5.789
  308   HD13  LEU  43          HD13      LEU  43  -7.121  11.802   7.219
  309   HD21  LEU  43          HD21      LEU  43  -5.297  12.913   5.042
  310   HD22  LEU  43          HD22      LEU  43  -4.314  11.472   4.780
  311   HD23  LEU  43          HD23      LEU  43  -4.702  11.992   6.422
  312    H    ALA  44           HN       ALA  44  -6.403   6.950   4.496
  313    HA   ALA  44           HA       ALA  44  -5.602   5.123   6.524
  314    HB1  ALA  44           HB1      ALA  44  -7.025   3.527   5.353
  315    HB2  ALA  44           HB2      ALA  44  -7.148   4.635   3.984
  316    HB3  ALA  44           HB3      ALA  44  -7.839   5.080   5.546
  317    H    LEU  45           HN       LEU  45  -4.663   5.740   3.244
  318    HA   LEU  45           HA       LEU  45  -3.168   3.360   2.789
  319    HB2  LEU  45           HB2      LEU  45  -2.887   6.083   1.529
  320    HB3  LEU  45           HB1      LEU  45  -2.221   4.586   0.899
  321    HG   LEU  45           HG       LEU  45  -5.147   5.188   1.223
  322   HD11  LEU  45          HD11      LEU  45  -3.432   5.087  -1.240
  323   HD12  LEU  45          HD12      LEU  45  -4.164   6.525  -0.528
  324   HD13  LEU  45          HD13      LEU  45  -5.185   5.260  -1.212
  325   HD21  LEU  45          HD21      LEU  45  -3.729   2.839  -0.006
  326   HD22  LEU  45          HD22      LEU  45  -5.467   3.127  -0.045
  327   HD23  LEU  45          HD23      LEU  45  -4.653   2.837   1.495
  328    H    MET  46           HN       MET  46  -2.550   6.311   4.388
  329    HA   MET  46           HA       MET  46   0.287   6.183   4.466
  330    HB2  MET  46           HB2      MET  46  -1.657   7.541   6.347
  331    HB3  MET  46           HB1      MET  46   0.081   7.807   6.330
  332    HG2  MET  46           HG2      MET  46  -0.024   8.790   4.138
  333    HG3  MET  46           HG1      MET  46  -1.717   8.329   3.990
  334    HE1  MET  46           HE1      MET  46  -1.978  12.224   4.221
  335    HE2  MET  46           HE2      MET  46  -2.409  10.785   3.299
  336    HE3  MET  46           HE3      MET  46  -0.724  11.285   3.416
  337    H    GLU  47           HN       GLU  47  -2.291   4.730   6.272
  338    HA   GLU  47           HA       GLU  47  -0.713   3.809   8.466
  339    HB2  GLU  47           HB2      GLU  47  -3.191   4.138   8.545
  340    HB3  GLU  47           HB1      GLU  47  -3.374   2.814   7.415
  341    HG2  GLU  47           HG2      GLU  47  -3.860   2.098   9.672
  342    HG3  GLU  47           HG1      GLU  47  -2.438   1.267   9.042
  343    H    THR  48           HN       THR  48  -1.845   2.481   5.384
  344    HA   THR  48           HA       THR  48  -0.962  -0.134   5.445
  345    HB   THR  48           HB       THR  48  -0.687   1.712   3.063
  346    HG1  THR  48           HG1      THR  48  -3.004   0.612   4.261
  347   HG21  THR  48          HG21      THR  48  -1.663  -1.131   3.357
  348   HG22  THR  48          HG22      THR  48  -0.058  -0.668   2.776
  349   HG23  THR  48          HG23      THR  48  -1.499  -0.250   1.840
  350    H    ALA  49           HN       ALA  49   0.677   2.713   4.130
  351    HA   ALA  49           HA       ALA  49   3.150   1.563   3.592
  352    HB1  ALA  49           HB1      ALA  49   2.395   3.691   2.647
  353    HB2  ALA  49           HB2      ALA  49   3.981   3.839   3.401
  354    HB3  ALA  49           HB3      ALA  49   2.549   4.447   4.232
  355    H    ALA  50           HN       ALA  50   2.089   3.408   6.457
  356    HA   ALA  50           HA       ALA  50   4.484   3.573   7.831
  357    HB1  ALA  50           HB1      ALA  50   3.177   3.938   9.817
  358    HB2  ALA  50           HB2      ALA  50   1.769   3.220   9.038
  359    HB3  ALA  50           HB3      ALA  50   2.415   4.755   8.445
  360    H    ARG  51           HN       ARG  51   2.062   1.030   7.992
  361    HA   ARG  51           HA       ARG  51   3.403  -0.467   9.971
  362    HB2  ARG  51           HB2      ARG  51   1.022  -0.729   9.579
  363    HB3  ARG  51           HB1      ARG  51   1.321  -1.295   7.946
  364    HG2  ARG  51           HG2      ARG  51   2.350  -3.296   8.783
  365    HG3  ARG  51           HG1      ARG  51   2.212  -2.705  10.440
  366    HD2  ARG  51           HD2      ARG  51  -0.138  -3.039   8.639
  367    HD3  ARG  51           HD1      ARG  51   0.456  -4.370   9.644
  368    HE   ARG  51           HE       ARG  51  -0.420  -1.777  10.790
  369   HH11  ARG  51          HH11      ARG  51  -0.704  -5.345  10.710
  370   HH12  ARG  51          HH12      ARG  51  -1.703  -5.405  12.084
  371   HH21  ARG  51          HH21      ARG  51  -1.923  -1.937  12.642
  372   HH22  ARG  51          HH22      ARG  51  -2.419  -3.463  13.168
  373    H    LEU  52           HN       LEU  52   3.188  -0.925   6.456
  374    HA   LEU  52           HA       LEU  52   5.093  -2.936   6.252
  375    HB2  LEU  52           HB2      LEU  52   4.301  -0.820   4.284
  376    HB3  LEU  52           HB1      LEU  52   5.471  -2.070   3.888
  377    HG   LEU  52           HG       LEU  52   2.643  -2.613   4.788
  378   HD11  LEU  52          HD11      LEU  52   2.224  -3.236   2.473
  379   HD12  LEU  52          HD12      LEU  52   3.853  -2.730   2.033
  380   HD13  LEU  52          HD13      LEU  52   2.679  -1.537   2.596
  381   HD21  LEU  52          HD21      LEU  52   4.223  -4.379   5.350
  382   HD22  LEU  52          HD22      LEU  52   4.789  -4.421   3.681
  383   HD23  LEU  52          HD23      LEU  52   3.133  -4.892   4.064
  384    H    GLU  53           HN       GLU  53   5.713   0.514   6.605
  385    HA   GLU  53           HA       GLU  53   8.435   0.597   6.031
  386    HB2  GLU  53           HB2      GLU  53   6.979   2.028   8.249
  387    HB3  GLU  53           HB1      GLU  53   8.623   2.372   7.761
  388    HG2  GLU  53           HG2      GLU  53   7.783   3.064   5.556
  389    HG3  GLU  53           HG1      GLU  53   6.134   2.779   6.129
  390    H    SER  54           HN       SER  54   6.768  -0.428   8.945
  391    HA   SER  54           HA       SER  54   9.124  -0.793  10.494
  392    HB2  SER  54           HB2      SER  54   6.364  -1.944  10.906
  393    HB3  SER  54           HB1      SER  54   7.611  -1.694  12.131
  394    HG   SER  54           HG       SER  54   7.436   0.620  11.280
  395    H    ARG  55           HN       ARG  55   7.292  -2.722   8.280
  396    HA   ARG  55           HA       ARG  55   8.326  -5.233   9.187
  397    HB2  ARG  55           HB2      ARG  55   6.104  -5.012   8.107
  398    HB3  ARG  55           HB1      ARG  55   6.901  -4.593   6.602
  399    HG2  ARG  55           HG2      ARG  55   7.897  -6.798   6.474
  400    HG3  ARG  55           HG1      ARG  55   7.219  -7.226   8.045
  401    HD2  ARG  55           HD2      ARG  55   5.668  -6.560   5.539
  402    HD3  ARG  55           HD1      ARG  55   5.856  -8.159   6.259
  403    HE   ARG  55           HE       ARG  55   4.820  -6.509   8.217
  404   HH11  ARG  55          HH11      ARG  55   3.684  -7.829   5.054
  405   HH12  ARG  55          HH12      ARG  55   2.063  -7.703   5.508
  406   HH21  ARG  55          HH21      ARG  55   2.551  -6.394   8.734
  407   HH22  ARG  55          HH22      ARG  55   1.395  -6.903   7.606
  408    H    TYR  56           HN       TYR  56   9.102  -3.019   6.531
  409    HA   TYR  56           HA       TYR  56  11.284  -4.850   5.804
  410    HB2  TYR  56           HB2      TYR  56   9.888  -2.787   4.115
  411    HB3  TYR  56           HB1      TYR  56  11.323  -3.671   3.593
  412    HD1  TYR  56           HD1      TYR  56   7.770  -3.986   4.481
  413    HD2  TYR  56           HD2      TYR  56  11.193  -5.968   2.928
  414    HE1  TYR  56           HE1      TYR  56   6.364  -5.862   3.790
  415    HE2  TYR  56           HE2      TYR  56   9.784  -7.858   2.229
  416    HH   TYR  56           HH       TYR  56   6.307  -7.657   2.426
  417    H    GLY  57           HN       GLY  57  10.883  -1.945   7.392
  418    HA2  GLY  57           HA2      GLY  57  12.516  -0.596   8.305
  419    HA3  GLY  57           HA1      GLY  57  13.726  -1.527   7.435
  420    H    VAL  58           HN       VAL  58  10.949   0.308   6.270
  421    HA   VAL  58           HA       VAL  58  12.828   1.853   4.659
  422    HB   VAL  58           HB       VAL  58  11.038   2.220   2.964
  423   HG11  VAL  58          HG11      VAL  58  11.154   0.004   1.970
  424   HG12  VAL  58          HG12      VAL  58  11.710  -0.652   3.510
  425   HG13  VAL  58          HG13      VAL  58  12.716   0.503   2.627
  426   HG21  VAL  58          HG21      VAL  58   9.541   0.118   4.526
  427   HG22  VAL  58          HG22      VAL  58   9.069   0.774   2.954
  428   HG23  VAL  58          HG23      VAL  58   9.086   1.817   4.375
  429    H    SER  59           HN       SER  59  11.663   3.936   3.786
  430    HA   SER  59           HA       SER  59  10.275   5.216   5.994
  431    HB2  SER  59           HB2      SER  59  11.764   7.256   5.421
  432    HB3  SER  59           HB1      SER  59  12.494   5.948   6.351
  433    HG   SER  59           HG       SER  59  13.948   6.010   4.847
  434    H    ILE  60           HN       ILE  60   8.363   5.684   5.163
  435    HA   ILE  60           HA       ILE  60   8.239   6.735   2.409
  436    HB   ILE  60           HB       ILE  60   6.142   5.020   3.786
  437   HG12  ILE  60          HG12      ILE  60   7.975   4.333   1.466
  438   HG13  ILE  60          HG11      ILE  60   8.177   3.754   3.114
  439   HG21  ILE  60          HG21      ILE  60   6.242   6.119   0.969
  440   HG22  ILE  60          HG22      ILE  60   5.158   6.649   2.253
  441   HG23  ILE  60          HG23      ILE  60   5.015   5.017   1.597
  442   HD11  ILE  60          HD11      ILE  60   5.854   3.156   1.296
  443   HD12  ILE  60          HD12      ILE  60   6.041   2.576   2.951
  444   HD13  ILE  60          HD13      ILE  60   7.175   2.058   1.703
  445    HA   PRO  61           HA       PRO  61   6.532  10.244   4.723
  446    HB2  PRO  61           HB2      PRO  61   6.349  11.333   1.970
  447    HB3  PRO  61           HB1      PRO  61   7.111  12.029   3.401
  448    HG2  PRO  61           HG2      PRO  61   8.579  11.025   1.410
  449    HG3  PRO  61           HG1      PRO  61   9.072  10.848   3.106
  450    HD2  PRO  61           HD2      PRO  61   7.805   8.847   1.281
  451    HD3  PRO  61           HD1      PRO  61   9.085   8.618   2.489
  452    H    ASP  62           HN       ASP  62   4.464  11.038   4.912
  453    HA   ASP  62           HA       ASP  62   2.403   9.271   4.133
  454    HB2  ASP  62           HB2      ASP  62   2.258  11.980   5.462
  455    HB3  ASP  62           HB1      ASP  62   0.901  10.868   5.296
  456    H    ASP  63           HN       ASP  63   3.477  12.334   2.892
  457    HA   ASP  63           HA       ASP  63   1.251  12.880   1.202
  458    HB2  ASP  63           HB2      ASP  63   4.108  13.818   1.147
  459    HB3  ASP  63           HB1      ASP  63   2.969  14.283  -0.101
  460    H    VAL  64           HN       VAL  64   3.657  10.584   0.988
  461    HA   VAL  64           HA       VAL  64   3.614  10.276  -1.901
  462    HB   VAL  64           HB       VAL  64   4.706   8.523   0.282
  463   HG11  VAL  64          HG11      VAL  64   5.352   8.653  -2.692
  464   HG12  VAL  64          HG12      VAL  64   4.463   7.360  -1.889
  465   HG13  VAL  64          HG13      VAL  64   6.173   7.608  -1.532
  466   HG21  VAL  64          HG21      VAL  64   5.716  10.697   0.392
  467   HG22  VAL  64          HG22      VAL  64   6.093  10.650  -1.333
  468   HG23  VAL  64          HG23      VAL  64   6.897   9.540  -0.221
  469    H    ALA  65           HN       ALA  65   2.600   8.550   1.004
  470    HA   ALA  65           HA       ALA  65   1.193   6.456  -0.227
  471    HB1  ALA  65           HB1      ALA  65   0.118   6.142   1.947
  472    HB2  ALA  65           HB2      ALA  65   0.702   7.718   2.469
  473    HB3  ALA  65           HB3      ALA  65   1.850   6.420   2.137
  474    H    GLY  66           HN       GLY  66   0.200   9.662   0.825
  475    HA2  GLY  66           HA2      GLY  66  -2.531   9.308  -0.039
  476    HA3  GLY  66           HA1      GLY  66  -1.800  10.796   0.552
  477    H    ARG  67           HN       ARG  67  -1.243   8.644  -2.102
  478    HA   ARG  67           HA       ARG  67  -1.757  10.715  -4.107
  479    HB2  ARG  67           HB2      ARG  67   0.656  10.982  -3.466
  480    HB3  ARG  67           HB1      ARG  67   0.928   9.329  -3.991
  481    HG2  ARG  67           HG2      ARG  67  -0.040  10.124  -6.246
  482    HG3  ARG  67           HG1      ARG  67   0.286  11.748  -5.630
  483    HD2  ARG  67           HD2      ARG  67   2.193  11.117  -6.870
  484    HD3  ARG  67           HD1      ARG  67   2.640  10.960  -5.170
  485    HE   ARG  67           HE       ARG  67   1.714   8.640  -6.699
  486   HH11  ARG  67          HH11      ARG  67   4.197  10.164  -4.692
  487   HH12  ARG  67          HH12      ARG  67   5.313   8.886  -4.812
  488   HH21  ARG  67          HH21      ARG  67   3.292   6.786  -6.838
  489   HH22  ARG  67          HH22      ARG  67   4.761   6.943  -6.022
  490    H    VAL  68           HN       VAL  68  -0.798   7.475  -3.207
  491    HA   VAL  68           HA       VAL  68  -0.994   6.302  -5.749
  492    HB   VAL  68           HB       VAL  68  -0.797   4.163  -4.603
  493   HG11  VAL  68          HG11      VAL  68   1.232   4.491  -3.344
  494   HG12  VAL  68          HG12      VAL  68   0.818   6.180  -3.088
  495   HG13  VAL  68          HG13      VAL  68   1.203   5.623  -4.707
  496   HG21  VAL  68          HG21      VAL  68  -0.858   3.929  -2.163
  497   HG22  VAL  68          HG22      VAL  68  -2.415   4.490  -2.774
  498   HG23  VAL  68          HG23      VAL  68  -1.304   5.626  -2.005
  499    H    ASP  69           HN       ASP  69  -2.771   5.981  -6.921
  500    HA   ASP  69           HA       ASP  69  -5.329   6.082  -5.494
  501    HB2  ASP  69           HB2      ASP  69  -4.651   7.465  -7.657
  502    HB3  ASP  69           HB1      ASP  69  -5.181   5.998  -8.461
  503    H    THR  70           HN       THR  70  -3.209   3.947  -6.991
  504    HA   THR  70           HA       THR  70  -5.228   1.819  -6.939
  505    HB   THR  70           HB       THR  70  -4.026   0.722  -8.758
  506    HG1  THR  70           HG1      THR  70  -2.372   2.528  -9.716
  507   HG21  THR  70          HG21      THR  70  -5.752   2.267  -9.488
  508   HG22  THR  70          HG22      THR  70  -4.398   2.346 -10.619
  509   HG23  THR  70          HG23      THR  70  -4.620   3.615  -9.411
  510    HA   PRO  71           HA       PRO  71  -2.197  -0.103  -4.196
  511    HB2  PRO  71           HB2      PRO  71  -3.074  -2.694  -5.341
  512    HB3  PRO  71           HB1      PRO  71  -3.133  -2.139  -3.662
  513    HG2  PRO  71           HG2      PRO  71  -5.368  -2.348  -5.092
  514    HG3  PRO  71           HG1      PRO  71  -5.129  -0.996  -3.965
  515    HD2  PRO  71           HD2      PRO  71  -4.809  -1.052  -6.949
  516    HD3  PRO  71           HD1      PRO  71  -5.607   0.166  -5.930
  517    H    ARG  72           HN       ARG  72  -2.420  -0.492  -7.538
  518    HA   ARG  72           HA       ARG  72  -0.149  -2.096  -8.148
  519    HB2  ARG  72           HB2      ARG  72  -2.141  -1.325  -9.626
  520    HB3  ARG  72           HB1      ARG  72  -1.214   0.145  -9.857
  521    HG2  ARG  72           HG2      ARG  72   0.634  -1.251 -10.767
  522    HG3  ARG  72           HG1      ARG  72  -0.444  -2.649 -10.654
  523    HD2  ARG  72           HD2      ARG  72  -0.725  -0.202 -12.379
  524    HD3  ARG  72           HD1      ARG  72  -0.625  -1.885 -12.884
  525    HE   ARG  72           HE       ARG  72  -2.946  -0.846 -11.383
  526   HH11  ARG  72          HH11      ARG  72  -1.712  -2.872 -14.024
  527   HH12  ARG  72          HH12      ARG  72  -3.228  -2.978 -14.797
  528   HH21  ARG  72          HH21      ARG  72  -5.030  -1.048 -12.452
  529   HH22  ARG  72          HH22      ARG  72  -5.138  -1.974 -13.872
  530    H    GLU  73           HN       GLU  73  -0.765   1.394  -8.031
  531    HA   GLU  73           HA       GLU  73   1.843   2.358  -8.396
  532    HB2  GLU  73           HB2      GLU  73  -0.139   3.750  -8.612
  533    HB3  GLU  73           HB1      GLU  73  -0.546   3.476  -6.929
  534    HG2  GLU  73           HG2      GLU  73   0.345   5.645  -7.013
  535    HG3  GLU  73           HG1      GLU  73   1.605   4.605  -6.356
  536    H    LEU  74           HN       LEU  74  -0.046   1.607  -5.497
  537    HA   LEU  74           HA       LEU  74   1.763   2.440  -3.525
  538    HB2  LEU  74           HB2      LEU  74  -0.735   1.664  -3.407
  539    HB3  LEU  74           HB1      LEU  74  -0.074   0.066  -3.181
  540    HG   LEU  74           HG       LEU  74   0.361   2.421  -1.323
  541   HD11  LEU  74          HD11      LEU  74  -1.432   0.022  -1.050
  542   HD12  LEU  74          HD12      LEU  74  -1.941   1.689  -1.311
  543   HD13  LEU  74          HD13      LEU  74  -1.142   1.238   0.195
  544   HD21  LEU  74          HD21      LEU  74   1.235   0.770   0.256
  545   HD22  LEU  74          HD22      LEU  74   2.203   0.796  -1.220
  546   HD23  LEU  74          HD23      LEU  74   1.036  -0.498  -0.952
  547    H    LEU  75           HN       LEU  75   1.361  -0.714  -5.091
  548    HA   LEU  75           HA       LEU  75   3.344  -2.207  -3.810
  549    HB2  LEU  75           HB2      LEU  75   1.656  -3.129  -5.338
  550    HB3  LEU  75           HB1      LEU  75   2.404  -2.296  -6.680
  551    HG   LEU  75           HG       LEU  75   4.453  -3.698  -6.298
  552   HD11  LEU  75          HD11      LEU  75   2.622  -5.210  -4.453
  553   HD12  LEU  75          HD12      LEU  75   4.063  -4.306  -3.990
  554   HD13  LEU  75          HD13      LEU  75   4.212  -5.744  -5.000
  555   HD21  LEU  75          HD21      LEU  75   2.855  -4.220  -8.059
  556   HD22  LEU  75          HD22      LEU  75   1.887  -5.152  -6.917
  557   HD23  LEU  75          HD23      LEU  75   3.506  -5.696  -7.348
  558    H    ASP  76           HN       ASP  76   3.458  -0.267  -6.746
  559    HA   ASP  76           HA       ASP  76   6.136  -0.738  -7.467
  560    HB2  ASP  76           HB2      ASP  76   4.410   0.122  -9.007
  561    HB3  ASP  76           HB1      ASP  76   4.409   1.649  -8.127
  562    H    LEU  77           HN       LEU  77   4.610   1.793  -5.613
  563    HA   LEU  77           HA       LEU  77   6.610   3.619  -5.129
  564    HB2  LEU  77           HB2      LEU  77   4.192   3.655  -4.411
  565    HB3  LEU  77           HB1      LEU  77   4.600   2.546  -3.137
  566    HG   LEU  77           HG       LEU  77   5.501   5.434  -3.368
  567   HD11  LEU  77          HD11      LEU  77   3.150   5.181  -2.875
  568   HD12  LEU  77          HD12      LEU  77   4.023   5.778  -1.464
  569   HD13  LEU  77          HD13      LEU  77   3.525   4.088  -1.544
  570   HD21  LEU  77          HD21      LEU  77   5.921   3.492  -1.074
  571   HD22  LEU  77          HD22      LEU  77   6.348   5.204  -1.075
  572   HD23  LEU  77          HD23      LEU  77   7.190   4.085  -2.146
  573    H    ILE  78           HN       ILE  78   5.740   0.857  -3.113
  574    HA   ILE  78           HA       ILE  78   7.955   1.112  -1.391
  575    HB   ILE  78           HB       ILE  78   6.136  -1.288  -1.769
  576   HG12  ILE  78          HG12      ILE  78   5.944   1.068   0.121
  577   HG13  ILE  78          HG11      ILE  78   4.915   0.790  -1.279
  578   HG21  ILE  78          HG21      ILE  78   6.808  -1.845   0.536
  579   HG22  ILE  78          HG22      ILE  78   7.891  -0.455   0.557
  580   HG23  ILE  78          HG23      ILE  78   8.208  -1.801  -0.537
  581   HD11  ILE  78          HD11      ILE  78   4.053  -1.239  -0.230
  582   HD12  ILE  78          HD12      ILE  78   3.792   0.188   0.772
  583   HD13  ILE  78          HD13      ILE  78   5.085  -0.943   1.171
  584    H    ASN  79           HN       ASN  79   7.268  -1.034  -4.125
  585    HA   ASN  79           HA       ASN  79   9.585  -2.629  -3.933
  586    HB2  ASN  79           HB2      ASN  79   7.818  -1.926  -6.267
  587    HB3  ASN  79           HB1      ASN  79   9.284  -2.861  -6.516
  588   HD21  ASN  79          HD21      ASN  79   7.322  -3.223  -3.618
  589   HD22  ASN  79          HD22      ASN  79   6.727  -4.797  -4.021
  590    H    GLY  80           HN       GLY  80   9.082   0.452  -5.601
  591    HA2  GLY  80           HA2      GLY  80  11.663   0.618  -6.727
  592    HA3  GLY  80           HA1      GLY  80  10.561   1.960  -6.447
  593    H    ALA  81           HN       ALA  81  10.340   1.601  -3.628
  594    HA   ALA  81           HA       ALA  81  12.630   3.065  -2.790
  595    HB1  ALA  81           HB1      ALA  81  10.458   1.803  -1.108
  596    HB2  ALA  81           HB2      ALA  81  10.411   3.427  -1.799
  597    HB3  ALA  81           HB3      ALA  81  11.609   3.027  -0.568
  598    H    LEU  82           HN       LEU  82  11.429  -0.161  -2.093
  599    HA   LEU  82           HA       LEU  82  13.274  -1.114  -0.297
  600    HB2  LEU  82           HB2      LEU  82  11.782  -2.533  -2.471
  601    HB3  LEU  82           HB1      LEU  82  12.754  -3.376  -1.280
  602    HG   LEU  82           HG       LEU  82  10.442  -1.580  -0.574
  603   HD11  LEU  82          HD11      LEU  82   9.192  -3.640  -0.183
  604   HD12  LEU  82          HD12      LEU  82  10.545  -4.584  -0.812
  605   HD13  LEU  82          HD13      LEU  82   9.659  -3.488  -1.877
  606   HD21  LEU  82          HD21      LEU  82  12.136  -1.856   1.133
  607   HD22  LEU  82          HD22      LEU  82  12.011  -3.612   0.990
  608   HD23  LEU  82          HD23      LEU  82  10.640  -2.673   1.591
  609    H    ALA  83           HN       ALA  83  13.578  -0.927  -3.763
  610    HA   ALA  83           HA       ALA  83  15.747  -2.586  -4.190
  611    HB1  ALA  83           HB1      ALA  83  14.419  -1.585  -5.973
  612    HB2  ALA  83           HB2      ALA  83  16.146  -1.313  -6.216
  613    HB3  ALA  83           HB3      ALA  83  15.124  -0.009  -5.611
  614    H    GLU  84           HN       GLU  84  15.713   0.787  -3.133
  615    HA   GLU  84           HA       GLU  84  18.646   0.682  -2.910
  616    HB2  GLU  84           HB2      GLU  84  16.844   3.061  -3.368
  617    HB3  GLU  84           HB1      GLU  84  18.574   3.159  -3.074
  618    HG2  GLU  84           HG2      GLU  84  17.255   1.797  -5.413
  619    HG3  GLU  84           HG1      GLU  84  18.044   3.371  -5.440
  620    H    ALA  85           HN       ALA  85  16.299   0.045  -1.048
  621    HA   ALA  85           HA       ALA  85  17.249   1.664   1.214
  622    HB1  ALA  85           HB1      ALA  85  14.514   0.433   0.830
  623    HB2  ALA  85           HB2      ALA  85  14.899   2.147   0.675
  624    HB3  ALA  85           HB3      ALA  85  15.052   1.346   2.241
  625    H    ALA  86           HN       ALA  86  16.670   0.400   3.301
  626    HA   ALA  86           HA       ALA  86  17.203  -1.260   4.706
  627    HB1  ALA  86           HB1      ALA  86  15.128  -2.203   3.775
  628    HB2  ALA  86           HB2      ALA  86  16.271  -3.470   4.226
  629    HB3  ALA  86           HB3      ALA  86  16.070  -3.027   2.530
  630    H28  SXV  87          H28A      SXV  87  -4.503  14.392   0.222
  631   H28A  SXV  87          H28B      SXV  87  -4.783  14.871   1.888
  632    H30  SXV  87          H30C      SXV  87  -2.637  13.834   3.370
  633   H30A  SXV  87          H30A      SXV  87  -3.081  15.539   3.292
  634   H30B  SXV  87          H30B      SXV  87  -1.403  15.050   3.047
  635    H31  SXV  87          H31C      SXV  87  -0.743  13.908   0.892
  636   H31A  SXV  87          H31A      SXV  87  -2.020  13.362  -0.196
  637   H31B  SXV  87          H31B      SXV  87  -1.872  12.664   1.417
  638    H32  SXV  87          H32A      SXV  87  -1.357  16.237   0.676
  639   HO33  SXV  87          H33A      SXV  87  -3.965  17.141   1.084
  640   HN36  SXV  87          H36A      SXV  87  -1.540  14.903  -1.433
  641    H37  SXV  87          H37B      SXV  87  -3.618  15.976  -3.236
  642   H37A  SXV  87          H37A      SXV  87  -3.002  14.314  -3.284
  643    H38  SXV  87          H38B      SXV  87  -1.911  15.331  -5.003
  644   H38A  SXV  87          H38A      SXV  87  -0.710  15.223  -3.765
  645   HN41  SXV  87          H41A      SXV  87   0.145  16.884  -5.386
  646    H42  SXV  87          H42B      SXV  87   0.982  19.110  -5.044
  647   H42A  SXV  87          H42A      SXV  87  -0.680  19.584  -4.634
  648    H43  SXV  87          H43B      SXV  87   0.314  18.793  -7.371
  649   H43A  SXV  87          H43A      SXV  87  -1.385  19.011  -6.910
  650    H1   SXV  87           H1B      SXV  87  -2.390  21.190  -5.951
  651    H1A  SXV  87           H1A      SXV  87  -1.076  21.365  -4.774
  652    H2   SXV  87           H2A      SXV  87  -1.955  23.492  -6.663
  653    H2A  SXV  87           H2B      SXV  87  -0.615  23.598  -5.520
  654    H4   SXV  87           H4C      SXV  87  -3.474  25.268  -5.569
  655    H4A  SXV  87           H4A      SXV  87  -4.356  24.631  -4.176
  656    H4B  SXV  87           H4B      SXV  87  -4.368  23.750  -5.710
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  18.665  -8.939  -5.091
    2    H2   MET   1           HT2      MET   1  18.667  -9.348  -3.471
    3    H3   MET   1           HT3      MET   1  20.080  -9.537  -4.368
    4    HA   MET   1           HA       MET   1  20.281  -7.651  -2.960
    5    HB2  MET   1           HB2      MET   1  19.749  -6.800  -5.814
    6    HB3  MET   1           HB1      MET   1  20.589  -5.829  -4.620
    7    HG2  MET   1           HG2      MET   1  21.507  -8.462  -5.751
    8    HG3  MET   1           HG1      MET   1  22.133  -6.870  -6.165
    9    HE1  MET   1           HE1      MET   1  24.111  -9.119  -5.424
   10    HE2  MET   1           HE2      MET   1  25.171  -8.317  -4.268
   11    HE3  MET   1           HE3      MET   1  24.610  -7.451  -5.698
   12    H    ALA   2           HN       ALA   2  17.207  -7.845  -4.645
   13    HA   ALA   2           HA       ALA   2  16.224  -5.782  -2.852
   14    HB1  ALA   2           HB1      ALA   2  14.830  -4.914  -4.658
   15    HB2  ALA   2           HB2      ALA   2  15.567  -6.052  -5.784
   16    HB3  ALA   2           HB3      ALA   2  16.543  -4.774  -5.060
   17    H    THR   3           HN       THR   3  15.165  -7.194  -1.513
   18    HA   THR   3           HA       THR   3  13.506  -9.299  -2.512
   19    HB   THR   3           HB       THR   3  12.713  -8.996  -0.002
   20    HG1  THR   3           HG1      THR   3  13.704  -7.033   0.303
   21   HG21  THR   3          HG21      THR   3  14.620 -10.375   0.737
   22   HG22  THR   3          HG22      THR   3  15.492  -9.947  -0.735
   23   HG23  THR   3          HG23      THR   3  14.016 -10.909  -0.832
   24    H    LEU   4           HN       LEU   4  11.734  -8.658  -3.664
   25    HA   LEU   4           HA       LEU   4  10.403  -6.179  -2.900
   26    HB2  LEU   4           HB2      LEU   4  10.076  -7.831  -5.403
   27    HB3  LEU   4           HB1      LEU   4   9.469  -6.215  -5.115
   28    HG   LEU   4           HG       LEU   4  12.376  -6.974  -5.395
   29   HD11  LEU   4          HD11      LEU   4  12.268  -5.751  -7.500
   30   HD12  LEU   4          HD12      LEU   4  10.534  -5.517  -7.270
   31   HD13  LEU   4          HD13      LEU   4  11.182  -7.140  -7.492
   32   HD21  LEU   4          HD21      LEU   4  12.077  -5.077  -3.900
   33   HD22  LEU   4          HD22      LEU   4  11.081  -4.268  -5.107
   34   HD23  LEU   4          HD23      LEU   4  12.790  -4.566  -5.427
   35    H    LEU   5           HN       LEU   5   8.547  -6.354  -1.892
   36    HA   LEU   5           HA       LEU   5   7.482  -8.864  -1.248
   37    HB2  LEU   5           HB2      LEU   5   5.630  -7.576  -0.157
   38    HB3  LEU   5           HB1      LEU   5   7.239  -7.204   0.393
   39    HG   LEU   5           HG       LEU   5   7.124  -5.119  -1.061
   40   HD11  LEU   5          HD11      LEU   5   4.194  -5.805  -1.126
   41   HD12  LEU   5          HD12      LEU   5   5.287  -5.767  -2.512
   42   HD13  LEU   5          HD13      LEU   5   4.920  -4.281  -1.640
   43   HD21  LEU   5          HD21      LEU   5   5.807  -3.895   0.584
   44   HD22  LEU   5          HD22      LEU   5   6.893  -5.062   1.342
   45   HD23  LEU   5          HD23      LEU   5   5.173  -5.418   1.205
   46    H    THR   6           HN       THR   6   5.398  -9.714  -1.661
   47    HA   THR   6           HA       THR   6   4.741  -9.344  -4.469
   48    HB   THR   6           HB       THR   6   3.528 -11.487  -4.263
   49    HG1  THR   6           HG1      THR   6   4.313 -11.280  -1.512
   50   HG21  THR   6          HG21      THR   6   5.896 -11.542  -4.884
   51   HG22  THR   6          HG22      THR   6   5.474 -12.953  -3.915
   52   HG23  THR   6          HG23      THR   6   6.350 -11.605  -3.180
   53    H    THR   7           HN       THR   7   2.159 -10.190  -4.631
   54    HA   THR   7           HA       THR   7   0.814  -7.975  -3.526
   55    HB   THR   7           HB       THR   7  -1.241  -9.091  -4.587
   56    HG1  THR   7           HG1      THR   7  -0.467 -11.175  -4.898
   57   HG21  THR   7          HG21      THR   7   1.136  -8.195  -6.218
   58   HG22  THR   7          HG22      THR   7  -0.137  -7.168  -5.544
   59   HG23  THR   7          HG23      THR   7  -0.513  -8.324  -6.825
   60    H    ASP   8           HN       ASP   8   1.455 -11.033  -2.353
   61    HA   ASP   8           HA       ASP   8  -0.849 -11.258  -0.640
   62    HB2  ASP   8           HB2      ASP   8   1.865 -12.574  -0.602
   63    HB3  ASP   8           HB1      ASP   8   0.703 -12.814   0.696
   64    H    ASP   9           HN       ASP   9   2.364 -10.005  -0.423
   65    HA   ASP   9           HA       ASP   9   2.287  -9.305   2.319
   66    HB2  ASP   9           HB2      ASP   9   3.958  -8.070   0.120
   67    HB3  ASP   9           HB1      ASP   9   4.277  -8.006   1.847
   68    H    LEU  10           HN       LEU  10   1.670  -7.587  -0.700
   69    HA   LEU  10           HA       LEU  10   0.981  -5.115   0.501
   70    HB2  LEU  10           HB2      LEU  10   1.586  -5.309  -1.873
   71    HB3  LEU  10           HB1      LEU  10   0.127  -6.241  -2.169
   72    HG   LEU  10           HG       LEU  10  -1.232  -4.274  -1.551
   73   HD11  LEU  10          HD11      LEU  10   0.333  -3.182  -0.060
   74   HD12  LEU  10          HD12      LEU  10  -0.174  -2.089  -1.347
   75   HD13  LEU  10          HD13      LEU  10   1.415  -2.852  -1.412
   76   HD21  LEU  10          HD21      LEU  10   0.797  -3.767  -3.716
   77   HD22  LEU  10          HD22      LEU  10  -0.767  -2.966  -3.558
   78   HD23  LEU  10          HD23      LEU  10  -0.692  -4.697  -3.883
   79    H    ARG  11           HN       ARG  11  -0.915  -7.952  -0.445
   80    HA   ARG  11           HA       ARG  11  -3.471  -7.006   0.105
   81    HB2  ARG  11           HB2      ARG  11  -2.971  -9.203  -0.958
   82    HB3  ARG  11           HB1      ARG  11  -2.405  -9.797   0.595
   83    HG2  ARG  11           HG2      ARG  11  -4.655  -9.413   1.516
   84    HG3  ARG  11           HG1      ARG  11  -5.195  -8.925  -0.090
   85    HD2  ARG  11           HD2      ARG  11  -4.591 -11.135  -0.958
   86    HD3  ARG  11           HD1      ARG  11  -4.064 -11.618   0.661
   87    HE   ARG  11           HE       ARG  11  -6.792 -10.752   0.089
   88   HH11  ARG  11          HH11      ARG  11  -4.616 -13.339   1.162
   89   HH12  ARG  11          HH12      ARG  11  -5.818 -14.166   2.045
   90   HH21  ARG  11          HH21      ARG  11  -8.454 -11.931   1.337
   91   HH22  ARG  11          HH22      ARG  11  -8.012 -13.346   2.169
   92    H    ARG  12           HN       ARG  12  -1.091  -8.592   2.211
   93    HA   ARG  12           HA       ARG  12  -2.488  -8.543   4.604
   94    HB2  ARG  12           HB2      ARG  12   0.435  -8.269   4.047
   95    HB3  ARG  12           HB1      ARG  12  -0.198  -8.099   5.672
   96    HG2  ARG  12           HG2      ARG  12  -1.176 -10.408   5.395
   97    HG3  ARG  12           HG1      ARG  12  -0.268 -10.522   3.885
   98    HD2  ARG  12           HD2      ARG  12   0.969 -11.571   5.706
   99    HD3  ARG  12           HD1      ARG  12   1.824 -10.150   5.112
  100    HE   ARG  12           HE       ARG  12   0.599  -9.031   7.166
  101   HH11  ARG  12          HH11      ARG  12   2.160 -12.218   7.120
  102   HH12  ARG  12          HH12      ARG  12   2.378 -12.271   8.807
  103   HH21  ARG  12          HH21      ARG  12   0.959  -9.039   9.376
  104   HH22  ARG  12          HH22      ARG  12   1.687 -10.364  10.154
  105    H    ALA  13           HN       ALA  13  -0.319  -6.091   3.308
  106    HA   ALA  13           HA       ALA  13  -0.428  -4.240   5.331
  107    HB1  ALA  13           HB1      ALA  13  -0.307  -3.651   2.387
  108    HB2  ALA  13           HB2      ALA  13   1.061  -4.088   3.414
  109    HB3  ALA  13           HB3      ALA  13   0.196  -2.577   3.692
  110    H    LEU  14           HN       LEU  14  -2.590  -4.437   2.547
  111    HA   LEU  14           HA       LEU  14  -4.142  -2.240   3.451
  112    HB2  LEU  14           HB2      LEU  14  -4.520  -4.192   1.208
  113    HB3  LEU  14           HB1      LEU  14  -5.729  -2.979   1.587
  114    HG   LEU  14           HG       LEU  14  -2.856  -2.266   0.960
  115   HD11  LEU  14          HD11      LEU  14  -5.235  -2.261  -0.896
  116   HD12  LEU  14          HD12      LEU  14  -3.859  -3.364  -0.987
  117   HD13  LEU  14          HD13      LEU  14  -3.625  -1.636  -1.255
  118   HD21  LEU  14          HD21      LEU  14  -3.805  -0.052   0.585
  119   HD22  LEU  14          HD22      LEU  14  -4.110  -0.616   2.228
  120   HD23  LEU  14          HD23      LEU  14  -5.402  -0.658   1.027
  121    H    VAL  15           HN       VAL  15  -4.261  -5.552   4.250
  122    HA   VAL  15           HA       VAL  15  -6.956  -5.283   5.310
  123    HB   VAL  15           HB       VAL  15  -4.955  -7.568   5.611
  124   HG11  VAL  15          HG11      VAL  15  -6.834  -8.881   6.492
  125   HG12  VAL  15          HG12      VAL  15  -7.865  -7.450   6.425
  126   HG13  VAL  15          HG13      VAL  15  -6.484  -7.492   7.522
  127   HG21  VAL  15          HG21      VAL  15  -7.453  -7.338   3.931
  128   HG22  VAL  15          HG22      VAL  15  -6.447  -8.778   4.082
  129   HG23  VAL  15          HG23      VAL  15  -5.795  -7.321   3.334
  130    H    GLU  16           HN       GLU  16  -3.639  -5.322   6.418
  131    HA   GLU  16           HA       GLU  16  -4.245  -5.253   9.165
  132    HB2  GLU  16           HB2      GLU  16  -1.603  -4.590   7.792
  133    HB3  GLU  16           HB1      GLU  16  -1.846  -4.791   9.519
  134    HG2  GLU  16           HG2      GLU  16  -2.669  -7.094   9.141
  135    HG3  GLU  16           HG1      GLU  16  -2.297  -6.914   7.434
  136    H    SER  17           HN       SER  17  -3.695  -2.643   6.821
  137    HA   SER  17           HA       SER  17  -3.740  -0.652   8.849
  138    HB2  SER  17           HB2      SER  17  -4.153   0.895   6.883
  139    HB3  SER  17           HB1      SER  17  -2.676  -0.065   6.816
  140    HG   SER  17           HG       SER  17  -5.132  -0.586   5.456
  141    H    ALA  18           HN       ALA  18  -6.108  -2.593   7.523
  142    HA   ALA  18           HA       ALA  18  -8.269  -0.744   8.105
  143    HB1  ALA  18           HB1      ALA  18  -9.718  -2.567   7.295
  144    HB2  ALA  18           HB2      ALA  18  -8.304  -3.611   7.132
  145    HB3  ALA  18           HB3      ALA  18  -8.462  -2.175   6.121
  146    H    GLY  19           HN       GLY  19  -6.291  -2.982   9.619
  147    HA2  GLY  19           HA2      GLY  19  -6.274  -4.028  11.656
  148    HA3  GLY  19           HA1      GLY  19  -7.545  -2.902  12.135
  149    H    GLU  20           HN       GLU  20  -7.693  -5.108   9.474
  150    HA   GLU  20           HA       GLU  20  -9.113  -6.646   8.825
  151    HB2  GLU  20           HB2      GLU  20  -9.331  -7.280  11.765
  152    HB3  GLU  20           HB1      GLU  20 -10.199  -8.187  10.536
  153    HG2  GLU  20           HG2      GLU  20  -8.020  -8.686   9.456
  154    HG3  GLU  20           HG1      GLU  20  -7.224  -7.910  10.826
  155    H    THR  21           HN       THR  21 -10.904  -6.443   7.922
  156    HA   THR  21           HA       THR  21 -13.195  -5.275   9.264
  157    HB   THR  21           HB       THR  21 -12.104  -4.200   6.631
  158    HG1  THR  21           HG1      THR  21 -11.359  -3.629   9.108
  159   HG21  THR  21          HG21      THR  21 -13.822  -2.450   6.914
  160   HG22  THR  21          HG22      THR  21 -14.365  -3.231   8.400
  161   HG23  THR  21          HG23      THR  21 -14.549  -4.056   6.850
  162    H    ASP  22           HN       ASP  22 -14.029  -7.383   9.050
  163    HA   ASP  22           HA       ASP  22 -13.970  -8.937   6.726
  164    HB2  ASP  22           HB2      ASP  22 -15.838 -10.250   7.596
  165    HB3  ASP  22           HB1      ASP  22 -14.744  -9.869   8.910
  166    H    GLY  23           HN       GLY  23 -15.076  -9.011   4.905
  167    HA2  GLY  23           HA2      GLY  23 -16.987  -8.376   3.570
  168    HA3  GLY  23           HA1      GLY  23 -17.089  -6.896   4.523
  169    H    THR  24           HN       THR  24 -14.092  -6.674   4.455
  170    HA   THR  24           HA       THR  24 -13.876  -5.732   1.701
  171    HB   THR  24           HB       THR  24 -12.316  -4.793   4.141
  172    HG1  THR  24           HG1      THR  24 -14.652  -3.850   2.840
  173   HG21  THR  24          HG21      THR  24 -11.114  -4.495   2.003
  174   HG22  THR  24          HG22      THR  24 -11.611  -2.940   2.674
  175   HG23  THR  24          HG23      THR  24 -12.513  -3.652   1.337
  176    H    ASP  25           HN       ASP  25 -13.290  -7.905   1.057
  177    HA   ASP  25           HA       ASP  25 -10.628  -8.736   1.916
  178    HB2  ASP  25           HB2      ASP  25 -12.278 -10.553   1.880
  179    HB3  ASP  25           HB1      ASP  25 -12.715 -10.163   0.224
  180    H    LEU  26           HN       LEU  26  -9.128  -9.296   0.128
  181    HA   LEU  26           HA       LEU  26  -9.444  -7.432  -2.057
  182    HB2  LEU  26           HB2      LEU  26  -8.269  -6.506   0.029
  183    HB3  LEU  26           HB1      LEU  26  -6.982  -7.623  -0.361
  184    HG   LEU  26           HG       LEU  26  -6.653  -6.520  -2.484
  185   HD11  LEU  26          HD11      LEU  26  -8.778  -4.605  -1.480
  186   HD12  LEU  26          HD12      LEU  26  -8.961  -5.714  -2.837
  187   HD13  LEU  26          HD13      LEU  26  -7.806  -4.383  -2.935
  188   HD21  LEU  26          HD21      LEU  26  -6.692  -4.683  -0.111
  189   HD22  LEU  26          HD22      LEU  26  -5.730  -4.468  -1.578
  190   HD23  LEU  26          HD23      LEU  26  -5.424  -5.843  -0.512
  191    H    SER  27           HN       SER  27  -9.534  -8.948  -3.449
  192    HA   SER  27           HA       SER  27  -7.857 -11.348  -3.270
  193    HB2  SER  27           HB2      SER  27 -10.266 -10.853  -4.988
  194    HB3  SER  27           HB1      SER  27  -9.461 -12.396  -4.699
  195    HG   SER  27           HG       SER  27  -9.904 -11.912  -2.392
  196    H    GLY  28           HN       GLY  28  -6.103 -11.483  -4.412
  197    HA2  GLY  28           HA2      GLY  28  -4.559 -11.477  -6.112
  198    HA3  GLY  28           HA1      GLY  28  -5.933 -11.960  -7.065
  199    H    ASP  29           HN       ASP  29  -7.027 -10.335  -8.270
  200    HA   ASP  29           HA       ASP  29  -5.147  -8.363  -9.272
  201    HB2  ASP  29           HB2      ASP  29  -6.240  -9.812 -10.925
  202    HB3  ASP  29           HB1      ASP  29  -7.819  -9.257 -10.388
  203    H    PHE  30           HN       PHE  30  -5.246  -6.990  -7.554
  204    HA   PHE  30           HA       PHE  30  -7.644  -5.277  -7.519
  205    HB2  PHE  30           HB2      PHE  30  -7.258  -4.909  -5.093
  206    HB3  PHE  30           HB1      PHE  30  -7.657  -6.574  -5.484
  207    HD1  PHE  30           HD1      PHE  30  -4.865  -4.312  -4.538
  208    HD2  PHE  30           HD2      PHE  30  -6.183  -8.337  -4.924
  209    HE1  PHE  30           HE1      PHE  30  -2.882  -5.080  -3.298
  210    HE2  PHE  30           HE2      PHE  30  -4.199  -9.106  -3.690
  211    HZ   PHE  30           HZ       PHE  30  -2.551  -7.476  -2.873
  212    H    LEU  31           HN       LEU  31  -4.767  -5.238  -8.703
  213    HA   LEU  31           HA       LEU  31  -3.531  -3.098  -7.213
  214    HB2  LEU  31           HB2      LEU  31  -2.659  -4.413  -9.776
  215    HB3  LEU  31           HB1      LEU  31  -1.739  -3.229  -8.887
  216    HG   LEU  31           HG       LEU  31  -0.760  -5.284  -8.448
  217   HD11  LEU  31          HD11      LEU  31  -0.912  -3.925  -6.510
  218   HD12  LEU  31          HD12      LEU  31  -1.033  -5.626  -6.059
  219   HD13  LEU  31          HD13      LEU  31  -2.480  -4.615  -6.098
  220   HD21  LEU  31          HD21      LEU  31  -3.483  -6.411  -7.796
  221   HD22  LEU  31          HD22      LEU  31  -1.959  -7.270  -7.595
  222   HD23  LEU  31          HD23      LEU  31  -2.496  -6.795  -9.206
  223    H    ASP  32           HN       ASP  32  -5.400  -3.425 -10.076
  224    HA   ASP  32           HA       ASP  32  -4.665  -0.685 -10.799
  225    HB2  ASP  32           HB2      ASP  32  -5.826  -2.873 -12.523
  226    HB3  ASP  32           HB1      ASP  32  -5.528  -1.226 -13.074
  227    H    LEU  33           HN       LEU  33  -6.781  -1.633  -8.846
  228    HA   LEU  33           HA       LEU  33  -9.005  -0.196 -10.069
  229    HB2  LEU  33           HB2      LEU  33 -10.400  -1.088  -8.166
  230    HB3  LEU  33           HB1      LEU  33  -9.804  -2.292  -9.273
  231    HG   LEU  33           HG       LEU  33  -8.021  -2.838  -7.546
  232   HD11  LEU  33          HD11      LEU  33  -9.767  -1.176  -5.740
  233   HD12  LEU  33          HD12      LEU  33  -8.106  -0.816  -6.209
  234   HD13  LEU  33          HD13      LEU  33  -8.456  -2.239  -5.226
  235   HD21  LEU  33          HD21      LEU  33 -10.909  -3.250  -6.801
  236   HD22  LEU  33          HD22      LEU  33  -9.544  -4.185  -6.190
  237   HD23  LEU  33          HD23      LEU  33  -9.959  -4.244  -7.902
  238    H    ARG  34           HN       ARG  34 -10.276   1.207  -8.366
  239    HA   ARG  34           HA       ARG  34  -8.247   3.036  -7.303
  240    HB2  ARG  34           HB2      ARG  34 -11.241   3.444  -7.323
  241    HB3  ARG  34           HB1      ARG  34  -9.994   4.668  -7.192
  242    HG2  ARG  34           HG2      ARG  34 -10.568   3.013  -9.636
  243    HG3  ARG  34           HG1      ARG  34 -11.123   4.658  -9.364
  244    HD2  ARG  34           HD2      ARG  34  -8.896   5.499  -9.451
  245    HD3  ARG  34           HD1      ARG  34  -8.196   3.875  -9.457
  246    HE   ARG  34           HE       ARG  34  -9.720   3.706 -11.582
  247   HH11  ARG  34          HH11      ARG  34  -7.557   6.414 -10.762
  248   HH12  ARG  34          HH12      ARG  34  -7.409   6.945 -12.358
  249   HH21  ARG  34          HH21      ARG  34  -9.464   4.433 -13.758
  250   HH22  ARG  34          HH22      ARG  34  -8.479   5.787 -14.112
  251    H    PHE  35           HN       PHE  35  -8.475   3.827  -5.092
  252    HA   PHE  35           HA       PHE  35  -9.117   1.683  -3.302
  253    HB2  PHE  35           HB2      PHE  35  -8.219   4.510  -2.735
  254    HB3  PHE  35           HB1      PHE  35  -8.391   3.251  -1.520
  255    HD1  PHE  35           HD2      PHE  35  -6.824   1.419  -1.405
  256    HD2  PHE  35           HD1      PHE  35  -6.429   4.481  -4.317
  257    HE1  PHE  35           HE2      PHE  35  -4.519   0.689  -1.858
  258    HE2  PHE  35           HE1      PHE  35  -4.164   3.768  -4.795
  259    HZ   PHE  35           HZ       PHE  35  -3.176   1.859  -3.551
  260    H    GLU  36           HN       GLU  36 -10.730   4.367  -4.554
  261    HA   GLU  36           HA       GLU  36 -12.684   4.885  -2.622
  262    HB2  GLU  36           HB2      GLU  36 -12.895   4.952  -5.635
  263    HB3  GLU  36           HB1      GLU  36 -14.093   5.622  -4.540
  264    HG2  GLU  36           HG2      GLU  36 -11.224   6.500  -4.697
  265    HG3  GLU  36           HG1      GLU  36 -12.584   7.312  -5.476
  266    H    ASP  37           HN       ASP  37 -12.416   2.343  -5.014
  267    HA   ASP  37           HA       ASP  37 -15.047   1.325  -4.804
  268    HB2  ASP  37           HB2      ASP  37 -13.638   0.767  -6.716
  269    HB3  ASP  37           HB1      ASP  37 -12.497  -0.062  -5.662
  270    H    ILE  38           HN       ILE  38 -12.082   0.646  -3.071
  271    HA   ILE  38           HA       ILE  38 -13.487  -1.354  -1.488
  272    HB   ILE  38           HB       ILE  38 -11.274  -1.925  -0.492
  273   HG12  ILE  38          HG12      ILE  38 -10.196   0.020  -2.563
  274   HG13  ILE  38          HG11      ILE  38 -10.164   0.264  -0.824
  275   HG21  ILE  38          HG21      ILE  38 -12.155  -3.177  -2.355
  276   HG22  ILE  38          HG22      ILE  38 -10.398  -3.027  -2.510
  277   HG23  ILE  38          HG23      ILE  38 -11.468  -2.012  -3.486
  278   HD11  ILE  38          HD11      ILE  38  -7.988  -0.436  -1.666
  279   HD12  ILE  38          HD12      ILE  38  -8.705  -1.904  -2.328
  280   HD13  ILE  38          HD13      ILE  38  -8.666  -1.652  -0.584
  281    H    GLY  39           HN       GLY  39 -13.417   1.726  -1.364
  282    HA2  GLY  39           HA2      GLY  39 -13.931   3.286   0.254
  283    HA3  GLY  39           HA1      GLY  39 -14.251   1.936   1.325
  284    H    TYR  40           HN       TYR  40 -11.286   3.201  -0.190
  285    HA   TYR  40           HA       TYR  40 -10.087   3.212   2.493
  286    HB2  TYR  40           HB2      TYR  40  -9.217   1.928   0.097
  287    HB3  TYR  40           HB1      TYR  40  -8.036   3.153   0.550
  288    HD1  TYR  40           HD1      TYR  40  -7.088   3.086   2.921
  289    HD2  TYR  40           HD2      TYR  40  -9.347  -0.083   1.217
  290    HE1  TYR  40           HE1      TYR  40  -6.175   1.546   4.594
  291    HE2  TYR  40           HE2      TYR  40  -8.434  -1.639   2.869
  292    HH   TYR  40           HH       TYR  40  -6.577  -0.556   5.545
  293    H    ASP  41           HN       ASP  41  -9.315   5.021   3.242
  294    HA   ASP  41           HA       ASP  41  -9.202   7.417   1.515
  295    HB2  ASP  41           HB2      ASP  41  -8.964   7.232   4.537
  296    HB3  ASP  41           HB1      ASP  41  -9.094   8.704   3.588
  297    H    SER  42           HN       SER  42  -7.328   8.899   1.888
  298    HA   SER  42           HA       SER  42  -4.870   7.530   1.605
  299    HB2  SER  42           HB2      SER  42  -3.868   9.806   1.683
  300    HB3  SER  42           HB1      SER  42  -5.220   9.683   0.549
  301    H    LEU  43           HN       LEU  43  -6.431   9.167   4.245
  302    HA   LEU  43           HA       LEU  43  -4.367   9.168   6.118
  303    HB2  LEU  43           HB2      LEU  43  -7.335   8.897   6.512
  304    HB3  LEU  43           HB1      LEU  43  -6.198   9.155   7.817
  305    HG   LEU  43           HG       LEU  43  -6.709  11.061   5.535
  306   HD11  LEU  43          HD11      LEU  43  -7.496  11.196   8.438
  307   HD12  LEU  43          HD12      LEU  43  -8.577  10.912   7.075
  308   HD13  LEU  43          HD13      LEU  43  -7.751  12.466   7.238
  309   HD21  LEU  43          HD21      LEU  43  -5.318  12.619   6.819
  310   HD22  LEU  43          HD22      LEU  43  -4.408  11.184   6.346
  311   HD23  LEU  43          HD23      LEU  43  -4.992  11.349   8.002
  312    H    ALA  44           HN       ALA  44  -6.430   6.604   5.047
  313    HA   ALA  44           HA       ALA  44  -5.491   4.827   7.128
  314    HB1  ALA  44           HB1      ALA  44  -7.224   4.244   4.727
  315    HB2  ALA  44           HB2      ALA  44  -7.805   4.625   6.347
  316    HB3  ALA  44           HB3      ALA  44  -6.900   3.138   6.059
  317    H    LEU  45           HN       LEU  45  -4.995   5.436   3.709
  318    HA   LEU  45           HA       LEU  45  -3.349   3.251   3.083
  319    HB2  LEU  45           HB2      LEU  45  -3.459   6.007   1.874
  320    HB3  LEU  45           HB1      LEU  45  -2.575   4.662   1.183
  321    HG   LEU  45           HG       LEU  45  -5.561   4.746   1.599
  322   HD11  LEU  45          HD11      LEU  45  -4.846   6.298  -0.135
  323   HD12  LEU  45          HD12      LEU  45  -5.679   4.911  -0.837
  324   HD13  LEU  45          HD13      LEU  45  -3.920   5.016  -0.914
  325   HD21  LEU  45          HD21      LEU  45  -3.790   2.740   0.225
  326   HD22  LEU  45          HD22      LEU  45  -5.553   2.711   0.250
  327   HD23  LEU  45          HD23      LEU  45  -4.644   2.500   1.750
  328    H    MET  46           HN       MET  46  -2.617   6.339   4.500
  329    HA   MET  46           HA       MET  46   0.201   6.194   4.327
  330    HB2  MET  46           HB2      MET  46  -1.524   7.572   6.395
  331    HB3  MET  46           HB1      MET  46   0.215   7.792   6.261
  332    HG2  MET  46           HG2      MET  46  -0.036   8.766   4.065
  333    HG3  MET  46           HG1      MET  46  -1.764   8.406   4.092
  334    HE1  MET  46           HE1      MET  46  -0.681  11.276   3.385
  335    HE2  MET  46           HE2      MET  46  -1.776  12.291   4.327
  336    HE3  MET  46           HE3      MET  46  -2.395  10.873   3.481
  337    H    GLU  47           HN       GLU  47  -2.099   4.798   6.521
  338    HA   GLU  47           HA       GLU  47  -0.108   3.906   8.375
  339    HB2  GLU  47           HB2      GLU  47  -2.459   4.460   9.045
  340    HB3  GLU  47           HB1      GLU  47  -3.004   3.063   8.137
  341    HG2  GLU  47           HG2      GLU  47  -1.777   1.577   9.601
  342    HG3  GLU  47           HG1      GLU  47  -1.114   2.955  10.479
  343    H    THR  48           HN       THR  48  -1.887   2.600   5.607
  344    HA   THR  48           HA       THR  48  -1.178  -0.071   5.623
  345    HB   THR  48           HB       THR  48  -1.128   1.800   3.236
  346    HG1  THR  48           HG1      THR  48  -3.316   0.445   4.464
  347   HG21  THR  48          HG21      THR  48  -0.280  -0.464   2.773
  348   HG22  THR  48          HG22      THR  48  -1.830  -0.193   1.972
  349   HG23  THR  48          HG23      THR  48  -1.759  -1.148   3.450
  350    H    ALA  49           HN       ALA  49   0.518   2.648   4.096
  351    HA   ALA  49           HA       ALA  49   2.880   1.364   3.408
  352    HB1  ALA  49           HB1      ALA  49   3.848   3.604   3.258
  353    HB2  ALA  49           HB2      ALA  49   2.485   4.262   4.162
  354    HB3  ALA  49           HB3      ALA  49   2.229   3.573   2.559
  355    H    ALA  50           HN       ALA  50   1.996   3.100   6.365
  356    HA   ALA  50           HA       ALA  50   4.433   3.087   7.687
  357    HB1  ALA  50           HB1      ALA  50   3.176   3.432   9.726
  358    HB2  ALA  50           HB2      ALA  50   1.700   2.886   8.928
  359    HB3  ALA  50           HB3      ALA  50   2.487   4.377   8.406
  360    H    ARG  51           HN       ARG  51   1.958   0.575   7.605
  361    HA   ARG  51           HA       ARG  51   3.011  -1.142   9.576
  362    HB2  ARG  51           HB2      ARG  51   1.591  -1.927   7.023
  363    HB3  ARG  51           HB1      ARG  51   1.828  -2.962   8.413
  364    HG2  ARG  51           HG2      ARG  51   0.151  -0.461   8.339
  365    HG3  ARG  51           HG1      ARG  51  -0.454  -2.108   8.244
  366    HD2  ARG  51           HD2      ARG  51  -0.781  -1.362  10.474
  367    HD3  ARG  51           HD1      ARG  51   0.556  -2.506  10.500
  368    HE   ARG  51           HE       ARG  51   2.016  -0.446  10.525
  369   HH11  ARG  51          HH11      ARG  51  -1.281  -0.326  11.794
  370   HH12  ARG  51          HH12      ARG  51  -0.904   0.762  13.045
  371   HH21  ARG  51          HH21      ARG  51   2.498   1.156  12.207
  372   HH22  ARG  51          HH22      ARG  51   1.223   1.683  13.207
  373    H    LEU  52           HN       LEU  52   3.346  -1.256   6.109
  374    HA   LEU  52           HA       LEU  52   5.395  -3.159   6.044
  375    HB2  LEU  52           HB2      LEU  52   4.686  -1.070   3.997
  376    HB3  LEU  52           HB1      LEU  52   5.761  -2.429   3.706
  377    HG   LEU  52           HG       LEU  52   2.830  -2.643   4.423
  378   HD11  LEU  52          HD11      LEU  52   3.136  -1.785   2.191
  379   HD12  LEU  52          HD12      LEU  52   2.542  -3.441   2.147
  380   HD13  LEU  52          HD13      LEU  52   4.242  -3.107   1.808
  381   HD21  LEU  52          HD21      LEU  52   4.824  -4.775   3.661
  382   HD22  LEU  52          HD22      LEU  52   3.094  -5.020   3.924
  383   HD23  LEU  52          HD23      LEU  52   4.131  -4.531   5.264
  384    H    GLU  53           HN       GLU  53   5.593   0.357   6.357
  385    HA   GLU  53           HA       GLU  53   8.329   0.642   5.973
  386    HB2  GLU  53           HB2      GLU  53   6.508   2.197   7.810
  387    HB3  GLU  53           HB1      GLU  53   8.190   2.617   7.549
  388    HG2  GLU  53           HG2      GLU  53   7.667   2.879   5.130
  389    HG3  GLU  53           HG1      GLU  53   5.966   2.636   5.533
  390    H    SER  54           HN       SER  54   6.595   0.189   9.052
  391    HA   SER  54           HA       SER  54   8.927  -0.122  10.599
  392    HB2  SER  54           HB2      SER  54   6.129  -1.111  11.155
  393    HB3  SER  54           HB1      SER  54   7.410  -0.892  12.350
  394    HG   SER  54           HG       SER  54   7.411   1.384  11.394
  395    H    ARG  55           HN       ARG  55   7.146  -2.310   8.644
  396    HA   ARG  55           HA       ARG  55   8.120  -4.723   9.784
  397    HB2  ARG  55           HB2      ARG  55   6.042  -4.737   8.572
  398    HB3  ARG  55           HB1      ARG  55   6.821  -4.126   7.125
  399    HG2  ARG  55           HG2      ARG  55   8.025  -6.229   6.882
  400    HG3  ARG  55           HG1      ARG  55   7.277  -6.828   8.367
  401    HD2  ARG  55           HD2      ARG  55   5.101  -6.764   7.374
  402    HD3  ARG  55           HD1      ARG  55   5.719  -5.920   5.956
  403    HE   ARG  55           HE       ARG  55   7.039  -8.387   6.315
  404   HH11  ARG  55          HH11      ARG  55   3.764  -7.330   5.477
  405   HH12  ARG  55          HH12      ARG  55   3.605  -8.390   4.152
  406   HH21  ARG  55          HH21      ARG  55   6.794  -9.885   4.533
  407   HH22  ARG  55          HH22      ARG  55   5.417  -9.886   3.561
  408    H    TYR  56           HN       TYR  56   9.154  -2.766   6.984
  409    HA   TYR  56           HA       TYR  56  11.389  -4.641   6.606
  410    HB2  TYR  56           HB2      TYR  56  10.204  -2.611   4.734
  411    HB3  TYR  56           HB1      TYR  56  11.714  -3.455   4.407
  412    HD1  TYR  56           HD2      TYR  56  11.686  -5.936   4.100
  413    HD2  TYR  56           HD1      TYR  56   8.123  -3.647   4.452
  414    HE1  TYR  56           HE2      TYR  56  10.398  -7.791   3.139
  415    HE2  TYR  56           HE1      TYR  56   6.830  -5.496   3.498
  416    HH   TYR  56           HH       TYR  56   7.303  -7.412   1.991
  417    H    GLY  57           HN       GLY  57  10.798  -1.426   7.674
  418    HA2  GLY  57           HA2      GLY  57  12.333  -0.019   8.649
  419    HA3  GLY  57           HA1      GLY  57  13.640  -1.041   8.053
  420    H    VAL  58           HN       VAL  58  10.966   0.585   6.432
  421    HA   VAL  58           HA       VAL  58  12.935   1.813   4.655
  422    HB   VAL  58           HB       VAL  58  11.227   1.860   2.836
  423   HG11  VAL  58          HG11      VAL  58  11.340  -0.513   2.264
  424   HG12  VAL  58          HG12      VAL  58  11.834  -0.881   3.916
  425   HG13  VAL  58          HG13      VAL  58  12.881   0.092   2.878
  426   HG21  VAL  58          HG21      VAL  58   9.223   0.451   3.012
  427   HG22  VAL  58          HG22      VAL  58   9.201   1.749   4.208
  428   HG23  VAL  58          HG23      VAL  58   9.619   0.105   4.694
  429    H    SER  59           HN       SER  59  11.726   3.761   3.358
  430    HA   SER  59           HA       SER  59  10.445   5.371   5.413
  431    HB2  SER  59           HB2      SER  59  12.685   6.271   3.573
  432    HB3  SER  59           HB1      SER  59  11.850   7.274   4.758
  433    HG   SER  59           HG       SER  59  12.620   5.827   6.377
  434    H    ILE  60           HN       ILE  60   8.461   5.570   4.585
  435    HA   ILE  60           HA       ILE  60   8.192   6.329   1.759
  436    HB   ILE  60           HB       ILE  60   6.234   4.852   3.554
  437   HG12  ILE  60          HG12      ILE  60   7.720   3.871   1.099
  438   HG13  ILE  60          HG11      ILE  60   8.150   3.478   2.757
  439   HG21  ILE  60          HG21      ILE  60   5.961   5.655   0.656
  440   HG22  ILE  60          HG22      ILE  60   5.073   6.339   2.016
  441   HG23  ILE  60          HG23      ILE  60   4.820   4.654   1.558
  442   HD11  ILE  60          HD11      ILE  60   6.935   1.662   1.696
  443   HD12  ILE  60          HD12      ILE  60   5.574   2.742   1.386
  444   HD13  ILE  60          HD13      ILE  60   6.016   2.334   3.043
  445    HA   PRO  61           HA       PRO  61   6.906  10.119   3.841
  446    HB2  PRO  61           HB2      PRO  61   6.253  10.932   1.068
  447    HB3  PRO  61           HB1      PRO  61   7.297  11.728   2.248
  448    HG2  PRO  61           HG2      PRO  61   8.330  10.450   0.137
  449    HG3  PRO  61           HG1      PRO  61   9.127  10.408   1.721
  450    HD2  PRO  61           HD2      PRO  61   7.437   8.325   0.395
  451    HD3  PRO  61           HD1      PRO  61   8.931   8.134   1.337
  452    H    ASP  62           HN       ASP  62   5.017  10.380   4.695
  453    HA   ASP  62           HA       ASP  62   2.812   8.810   4.098
  454    HB2  ASP  62           HB2      ASP  62   1.523  10.194   5.719
  455    HB3  ASP  62           HB1      ASP  62   3.065   9.625   6.332
  456    H    ASP  63           HN       ASP  63   3.447  12.097   3.002
  457    HA   ASP  63           HA       ASP  63   0.854  12.635   2.027
  458    HB2  ASP  63           HB2      ASP  63   2.545  14.400   2.255
  459    HB3  ASP  63           HB1      ASP  63   3.500  13.666   0.972
  460    H    VAL  64           HN       VAL  64   3.416  10.735   0.727
  461    HA   VAL  64           HA       VAL  64   2.613  10.617  -1.991
  462    HB   VAL  64           HB       VAL  64   4.199   8.691  -0.328
  463   HG11  VAL  64          HG11      VAL  64   4.036   8.961  -3.360
  464   HG12  VAL  64          HG12      VAL  64   3.392   7.623  -2.413
  465   HG13  VAL  64          HG13      VAL  64   5.135   7.871  -2.509
  466   HG21  VAL  64          HG21      VAL  64   6.183   9.765  -1.315
  467   HG22  VAL  64          HG22      VAL  64   5.187  10.905  -0.401
  468   HG23  VAL  64          HG23      VAL  64   5.128  10.896  -2.161
  469    H    ALA  65           HN       ALA  65   1.641   8.914   0.886
  470    HA   ALA  65           HA       ALA  65   0.365   6.760  -0.479
  471    HB1  ALA  65           HB1      ALA  65  -0.037   7.731   2.344
  472    HB2  ALA  65           HB2      ALA  65   1.157   6.538   1.832
  473    HB3  ALA  65           HB3      ALA  65  -0.565   6.179   1.696
  474    H    GLY  66           HN       GLY  66  -0.370   9.976  -0.103
  475    HA2  GLY  66           HA2      GLY  66  -3.234   9.526  -0.525
  476    HA3  GLY  66           HA1      GLY  66  -2.483  11.070  -0.124
  477    H    ARG  67           HN       ARG  67  -0.677   9.349  -2.367
  478    HA   ARG  67           HA       ARG  67  -1.818  10.909  -4.610
  479    HB2  ARG  67           HB2      ARG  67   0.975   9.808  -4.355
  480    HB3  ARG  67           HB1      ARG  67   0.368  10.869  -5.611
  481    HG2  ARG  67           HG2      ARG  67   0.149  12.660  -4.010
  482    HG3  ARG  67           HG1      ARG  67   0.687  11.582  -2.716
  483    HD2  ARG  67           HD2      ARG  67   2.782  11.209  -4.009
  484    HD3  ARG  67           HD1      ARG  67   2.251  12.467  -5.124
  485    HE   ARG  67           HE       ARG  67   2.107  13.603  -2.664
  486   HH11  ARG  67          HH11      ARG  67   4.718  12.034  -4.513
  487   HH12  ARG  67          HH12      ARG  67   5.944  12.958  -3.801
  488   HH21  ARG  67          HH21      ARG  67   3.741  14.770  -1.681
  489   HH22  ARG  67          HH22      ARG  67   5.397  14.615  -2.138
  490    H    VAL  68           HN       VAL  68  -1.468   7.853  -3.304
  491    HA   VAL  68           HA       VAL  68  -0.951   6.512  -5.759
  492    HB   VAL  68           HB       VAL  68  -1.325   4.394  -4.452
  493   HG11  VAL  68          HG11      VAL  68   0.887   5.359  -4.699
  494   HG12  VAL  68          HG12      VAL  68   0.712   4.629  -3.105
  495   HG13  VAL  68          HG13      VAL  68   0.617   6.384  -3.287
  496   HG21  VAL  68          HG21      VAL  68  -2.887   5.256  -2.755
  497   HG22  VAL  68          HG22      VAL  68  -1.602   6.286  -2.112
  498   HG23  VAL  68          HG23      VAL  68  -1.460   4.534  -2.005
  499    H    ASP  69           HN       ASP  69  -2.286   6.588  -7.194
  500    HA   ASP  69           HA       ASP  69  -5.084   6.907  -6.986
  501    HB2  ASP  69           HB2      ASP  69  -3.803   7.689  -8.894
  502    HB3  ASP  69           HB1      ASP  69  -3.339   6.043  -9.268
  503    H    THR  70           HN       THR  70  -3.037   4.147  -7.813
  504    HA   THR  70           HA       THR  70  -5.250   2.356  -7.196
  505    HB   THR  70           HB       THR  70  -4.478   0.904  -9.092
  506    HG1  THR  70           HG1      THR  70  -3.045   3.106 -10.134
  507   HG21  THR  70          HG21      THR  70  -5.362   2.289 -10.939
  508   HG22  THR  70          HG22      THR  70  -5.181   3.723  -9.912
  509   HG23  THR  70          HG23      THR  70  -6.341   2.471  -9.474
  510    HA   PRO  71           HA       PRO  71  -2.225   0.311  -4.591
  511    HB2  PRO  71           HB2      PRO  71  -3.162  -2.223  -5.870
  512    HB3  PRO  71           HB1      PRO  71  -2.975  -1.831  -4.152
  513    HG2  PRO  71           HG2      PRO  71  -5.383  -1.842  -5.205
  514    HG3  PRO  71           HG1      PRO  71  -4.910  -0.521  -4.113
  515    HD2  PRO  71           HD2      PRO  71  -5.080  -0.536  -7.107
  516    HD3  PRO  71           HD1      PRO  71  -5.606   0.714  -5.959
  517    H    ARG  72           HN       ARG  72  -2.289  -0.343  -8.016
  518    HA   ARG  72           HA       ARG  72   0.152  -1.677  -8.396
  519    HB2  ARG  72           HB2      ARG  72  -1.527  -1.272 -10.189
  520    HB3  ARG  72           HB1      ARG  72  -1.144   0.440 -10.151
  521    HG2  ARG  72           HG2      ARG  72  -0.061  -0.515 -12.048
  522    HG3  ARG  72           HG1      ARG  72   1.185  -0.140 -10.859
  523    HD2  ARG  72           HD2      ARG  72   1.624  -2.306 -11.837
  524    HD3  ARG  72           HD1      ARG  72   1.163  -2.510 -10.148
  525    HE   ARG  72           HE       ARG  72  -1.037  -2.701 -11.961
  526   HH11  ARG  72          HH11      ARG  72   1.621  -4.585 -10.511
  527   HH12  ARG  72          HH12      ARG  72   0.877  -6.082 -10.633
  528   HH21  ARG  72          HH21      ARG  72  -2.113  -4.718 -12.172
  529   HH22  ARG  72          HH22      ARG  72  -1.378  -6.194 -11.687
  530    H    GLU  73           HN       GLU  73  -0.643   1.724  -8.046
  531    HA   GLU  73           HA       GLU  73   1.933   2.821  -8.531
  532    HB2  GLU  73           HB2      GLU  73  -0.258   4.033  -8.675
  533    HB3  GLU  73           HB1      GLU  73  -0.377   3.942  -6.930
  534    HG2  GLU  73           HG2      GLU  73   0.348   6.125  -7.577
  535    HG3  GLU  73           HG1      GLU  73   1.673   5.295  -6.761
  536    H    LEU  74           HN       LEU  74   0.157   1.861  -5.664
  537    HA   LEU  74           HA       LEU  74   2.044   2.777  -3.741
  538    HB2  LEU  74           HB2      LEU  74  -0.445   2.346  -3.398
  539    HB3  LEU  74           HB1      LEU  74  -0.086   0.641  -3.410
  540    HG   LEU  74           HG       LEU  74  -0.512   1.609  -1.152
  541   HD11  LEU  74          HD11      LEU  74   2.236   0.462  -1.498
  542   HD12  LEU  74          HD12      LEU  74   0.734  -0.441  -1.306
  543   HD13  LEU  74          HD13      LEU  74   1.338   0.557   0.017
  544   HD21  LEU  74          HD21      LEU  74   0.496   3.789  -1.448
  545   HD22  LEU  74          HD22      LEU  74   2.092   3.051  -1.601
  546   HD23  LEU  74          HD23      LEU  74   1.219   2.959  -0.071
  547    H    LEU  75           HN       LEU  75   1.382  -0.368  -5.215
  548    HA   LEU  75           HA       LEU  75   3.310  -1.901  -3.874
  549    HB2  LEU  75           HB2      LEU  75   1.453  -2.821  -5.220
  550    HB3  LEU  75           HB1      LEU  75   2.203  -2.199  -6.672
  551    HG   LEU  75           HG       LEU  75   4.086  -3.764  -6.353
  552   HD11  LEU  75          HD11      LEU  75   3.897  -5.548  -4.702
  553   HD12  LEU  75          HD12      LEU  75   2.440  -4.797  -4.051
  554   HD13  LEU  75          HD13      LEU  75   3.991  -3.967  -3.926
  555   HD21  LEU  75          HD21      LEU  75   1.356  -5.044  -6.331
  556   HD22  LEU  75          HD22      LEU  75   2.846  -5.799  -6.895
  557   HD23  LEU  75          HD23      LEU  75   2.192  -4.396  -7.742
  558    H    ASP  76           HN       ASP  76   3.389  -0.077  -6.882
  559    HA   ASP  76           HA       ASP  76   5.976  -0.645  -7.742
  560    HB2  ASP  76           HB2      ASP  76   4.352   0.437  -9.173
  561    HB3  ASP  76           HB1      ASP  76   4.322   1.843  -8.119
  562    H    LEU  77           HN       LEU  77   4.791   2.039  -5.788
  563    HA   LEU  77           HA       LEU  77   7.126   3.427  -5.284
  564    HB2  LEU  77           HB2      LEU  77   5.054   4.315  -4.560
  565    HB3  LEU  77           HB1      LEU  77   4.706   2.910  -3.580
  566    HG   LEU  77           HG       LEU  77   6.559   3.572  -2.058
  567   HD11  LEU  77          HD11      LEU  77   6.606   6.124  -3.661
  568   HD12  LEU  77          HD12      LEU  77   7.889   4.915  -3.568
  569   HD13  LEU  77          HD13      LEU  77   7.441   5.828  -2.133
  570   HD21  LEU  77          HD21      LEU  77   5.319   5.373  -0.981
  571   HD22  LEU  77          HD22      LEU  77   4.252   4.084  -1.533
  572   HD23  LEU  77          HD23      LEU  77   4.359   5.593  -2.445
  573    H    ILE  78           HN       ILE  78   5.767   0.757  -3.412
  574    HA   ILE  78           HA       ILE  78   7.943   0.742  -1.606
  575    HB   ILE  78           HB       ILE  78   5.825  -1.388  -2.018
  576   HG12  ILE  78          HG12      ILE  78   6.042   0.944  -0.103
  577   HG13  ILE  78          HG11      ILE  78   4.910   0.786  -1.436
  578   HG21  ILE  78          HG21      ILE  78   7.737  -0.939   0.295
  579   HG22  ILE  78          HG22      ILE  78   7.820  -2.268  -0.860
  580   HG23  ILE  78          HG23      ILE  78   6.449  -2.143   0.242
  581   HD11  ILE  78          HD11      ILE  78   5.003  -0.901   1.039
  582   HD12  ILE  78          HD12      ILE  78   3.882  -1.118  -0.306
  583   HD13  ILE  78          HD13      ILE  78   3.823   0.357   0.665
  584    H    ASN  79           HN       ASN  79   7.216  -1.174  -4.484
  585    HA   ASN  79           HA       ASN  79   9.420  -2.944  -4.171
  586    HB2  ASN  79           HB2      ASN  79   7.832  -2.144  -6.618
  587    HB3  ASN  79           HB1      ASN  79   9.269  -3.139  -6.777
  588   HD21  ASN  79          HD21      ASN  79   7.053  -3.395  -4.069
  589   HD22  ASN  79          HD22      ASN  79   6.443  -4.960  -4.493
  590    H    GLY  80           HN       GLY  80   9.111   0.180  -5.794
  591    HA2  GLY  80           HA2      GLY  80  11.721   0.351  -6.788
  592    HA3  GLY  80           HA1      GLY  80  10.696   1.720  -6.369
  593    H    ALA  81           HN       ALA  81  10.364   1.371  -3.686
  594    HA   ALA  81           HA       ALA  81  12.742   2.400  -2.592
  595    HB1  ALA  81           HB1      ALA  81  11.629   2.225  -0.426
  596    HB2  ALA  81           HB2      ALA  81  10.401   1.171  -1.132
  597    HB3  ALA  81           HB3      ALA  81  10.520   2.853  -1.647
  598    H    LEU  82           HN       LEU  82  11.350  -0.852  -2.501
  599    HA   LEU  82           HA       LEU  82  13.258  -1.962  -0.755
  600    HB2  LEU  82           HB2      LEU  82  11.333  -3.238  -2.668
  601    HB3  LEU  82           HB1      LEU  82  12.395  -4.159  -1.623
  602    HG   LEU  82           HG       LEU  82  10.284  -2.222  -0.673
  603   HD11  LEU  82          HD11      LEU  82   9.315  -4.217  -1.687
  604   HD12  LEU  82          HD12      LEU  82   9.088  -4.219   0.061
  605   HD13  LEU  82          HD13      LEU  82  10.330  -5.235  -0.668
  606   HD21  LEU  82          HD21      LEU  82  12.190  -2.384   0.843
  607   HD22  LEU  82          HD22      LEU  82  12.057  -4.139   0.836
  608   HD23  LEU  82          HD23      LEU  82  10.762  -3.159   1.535
  609    H    ALA  83           HN       ALA  83  13.582  -1.122  -4.004
  610    HA   ALA  83           HA       ALA  83  15.501  -3.055  -4.773
  611    HB1  ALA  83           HB1      ALA  83  14.429  -1.570  -6.415
  612    HB2  ALA  83           HB2      ALA  83  16.187  -1.437  -6.498
  613    HB3  ALA  83           HB3      ALA  83  15.244  -0.184  -5.691
  614    H    GLU  84           HN       GLU  84  15.636  -0.112  -2.962
  615    HA   GLU  84           HA       GLU  84  18.527  -0.356  -2.566
  616    HB2  GLU  84           HB2      GLU  84  16.590   1.843  -1.774
  617    HB3  GLU  84           HB1      GLU  84  18.340   1.894  -1.553
  618    HG2  GLU  84           HG2      GLU  84  18.690   1.832  -3.938
  619    HG3  GLU  84           HG1      GLU  84  16.965   1.634  -4.218
  620    H    ALA  85           HN       ALA  85  15.437  -0.509  -1.015
  621    HA   ALA  85           HA       ALA  85  14.610  -1.607   0.687
  622    HB1  ALA  85           HB1      ALA  85  16.125  -3.440   0.024
  623    HB2  ALA  85           HB2      ALA  85  15.706  -3.440   1.732
  624    HB3  ALA  85           HB3      ALA  85  17.296  -2.865   1.216
  625    H    ALA  86           HN       ALA  86  16.894   0.659   1.110
  626    HA   ALA  86           HA       ALA  86  17.303   2.213   2.641
  627    HB1  ALA  86           HB1      ALA  86  14.849   2.352   2.865
  628    HB2  ALA  86           HB2      ALA  86  15.682   2.729   4.372
  629    HB3  ALA  86           HB3      ALA  86  14.915   1.155   4.160
  630    H28  SXV  87          H28A      SXV  87  -6.213  13.688   3.642
  631   H28A  SXV  87          H28B      SXV  87  -4.865  12.602   3.948
  632    H30  SXV  87          H30C      SXV  87  -5.121  14.769   5.679
  633   H30A  SXV  87          H30A      SXV  87  -3.521  15.492   5.530
  634   H30B  SXV  87          H30B      SXV  87  -3.699  13.738   5.537
  635    H31  SXV  87          H31C      SXV  87  -2.419  13.640   3.526
  636   H31A  SXV  87          H31A      SXV  87  -2.293  15.383   3.374
  637   H31B  SXV  87          H31B      SXV  87  -2.921  14.426   2.037
  638    H32  SXV  87          H32A      SXV  87  -4.203  16.860   3.562
  639   HO33  SXV  87          H33A      SXV  87  -6.755  16.753   3.462
  640   HN36  SXV  87          H36A      SXV  87  -4.717  14.530   1.235
  641    H37  SXV  87          H37B      SXV  87  -4.791  16.446  -0.867
  642   H37A  SXV  87          H37A      SXV  87  -6.333  15.627  -0.737
  643    H38  SXV  87          H38B      SXV  87  -5.250  13.502  -1.218
  644   H38A  SXV  87          H38A      SXV  87  -3.658  14.266  -0.987
  645   HN41  SXV  87          H41A      SXV  87  -3.524  13.026  -3.022
  646    H42  SXV  87          H42B      SXV  87  -4.083  14.732  -5.353
  647   H42A  SXV  87          H42A      SXV  87  -3.916  12.966  -5.373
  648    H43  SXV  87          H43B      SXV  87  -1.742  14.942  -4.691
  649   H43A  SXV  87          H43A      SXV  87  -1.615  13.186  -4.593
  650    H1   SXV  87           H1B      SXV  87   0.275  15.269  -6.109
  651    H1A  SXV  87           H1A      SXV  87   0.635  13.538  -5.991
  652    H2   SXV  87           H2A      SXV  87   0.538  14.994  -8.589
  653    H2A  SXV  87           H2B      SXV  87   1.006  13.321  -8.295
  654    H4   SXV  87           H4C      SXV  87   3.234  16.737  -7.731
  655    H4A  SXV  87           H4A      SXV  87   2.128  16.339  -9.052
  656    H4B  SXV  87           H4B      SXV  87   3.770  15.680  -9.047
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  19.212  -8.991  -8.516
    2    H2   MET   1           HT2      MET   1  20.685  -9.491  -7.832
    3    H3   MET   1           HT3      MET   1  20.248  -7.839  -7.867
    4    HA   MET   1           HA       MET   1  18.808  -9.899  -6.360
    5    HB2  MET   1           HB2      MET   1  20.614  -7.636  -5.474
    6    HB3  MET   1           HB1      MET   1  19.575  -8.547  -4.394
    7    HG2  MET   1           HG2      MET   1  21.862  -9.639  -6.003
    8    HG3  MET   1           HG1      MET   1  21.853  -9.315  -4.269
    9    HE1  MET   1           HE1      MET   1  22.645 -11.744  -3.668
   10    HE2  MET   1           HE2      MET   1  22.760 -12.101  -5.392
   11    HE3  MET   1           HE3      MET   1  21.901 -13.206  -4.317
   12    H    ALA   2           HN       ALA   2  16.880  -9.258  -5.599
   13    HA   ALA   2           HA       ALA   2  16.090  -6.496  -5.834
   14    HB1  ALA   2           HB1      ALA   2  14.624  -8.685  -7.301
   15    HB2  ALA   2           HB2      ALA   2  15.562  -7.393  -8.052
   16    HB3  ALA   2           HB3      ALA   2  14.095  -7.010  -7.149
   17    H    THR   3           HN       THR   3  15.641  -6.330  -3.708
   18    HA   THR   3           HA       THR   3  13.962  -8.258  -2.410
   19    HB   THR   3           HB       THR   3  14.182  -6.230  -0.687
   20    HG1  THR   3           HG1      THR   3  15.357  -4.690  -1.593
   21   HG21  THR   3          HG21      THR   3  15.119  -8.485  -0.362
   22   HG22  THR   3          HG22      THR   3  16.266  -7.242   0.143
   23   HG23  THR   3          HG23      THR   3  16.480  -8.066  -1.402
   24    H    LEU   4           HN       LEU   4  11.870  -8.161  -3.073
   25    HA   LEU   4           HA       LEU   4  10.594  -5.519  -3.330
   26    HB2  LEU   4           HB2      LEU   4  10.176  -7.881  -5.170
   27    HB3  LEU   4           HB1      LEU   4   9.351  -6.344  -5.265
   28    HG   LEU   4           HG       LEU   4  12.293  -6.801  -5.791
   29   HD11  LEU   4          HD11      LEU   4  10.883  -7.744  -7.523
   30   HD12  LEU   4          HD12      LEU   4  11.720  -6.307  -8.113
   31   HD13  LEU   4          HD13      LEU   4  10.016  -6.215  -7.668
   32   HD21  LEU   4          HD21      LEU   4  11.870  -4.584  -4.885
   33   HD22  LEU   4          HD22      LEU   4  10.612  -4.320  -6.095
   34   HD23  LEU   4          HD23      LEU   4  12.295  -4.495  -6.593
   35    H    LEU   5           HN       LEU   5   8.216  -5.705  -3.127
   36    HA   LEU   5           HA       LEU   5   7.465  -8.103  -1.666
   37    HB2  LEU   5           HB2      LEU   5   5.823  -6.802  -0.371
   38    HB3  LEU   5           HB1      LEU   5   7.437  -6.205  -0.114
   39    HG   LEU   5           HG       LEU   5   6.781  -4.337  -1.801
   40   HD11  LEU   5          HD11      LEU   5   4.040  -5.283  -0.994
   41   HD12  LEU   5          HD12      LEU   5   4.722  -5.335  -2.620
   42   HD13  LEU   5          HD13      LEU   5   4.416  -3.781  -1.843
   43   HD21  LEU   5          HD21      LEU   5   5.798  -3.014  -0.014
   44   HD22  LEU   5          HD22      LEU   5   7.153  -3.981   0.570
   45   HD23  LEU   5          HD23      LEU   5   5.498  -4.484   0.914
   46    H    THR   6           HN       THR   6   5.450  -8.983  -2.132
   47    HA   THR   6           HA       THR   6   4.649  -8.268  -4.841
   48    HB   THR   6           HB       THR   6   3.773 -10.598  -4.983
   49    HG1  THR   6           HG1      THR   6   4.770 -10.679  -2.323
   50   HG21  THR   6          HG21      THR   6   6.705 -10.345  -4.292
   51   HG22  THR   6          HG22      THR   6   5.983 -10.046  -5.874
   52   HG23  THR   6          HG23      THR   6   5.979 -11.675  -5.193
   53    H    THR   7           HN       THR   7   2.291  -9.554  -5.065
   54    HA   THR   7           HA       THR   7   0.441  -7.791  -4.031
   55    HB   THR   7           HB       THR   7  -1.177  -9.667  -4.730
   56    HG1  THR   7           HG1      THR   7  -0.245 -11.534  -5.158
   57   HG21  THR   7          HG21      THR   7   0.853  -8.622  -6.708
   58   HG22  THR   7          HG22      THR   7  -0.554  -7.736  -6.129
   59   HG23  THR   7          HG23      THR   7  -0.769  -9.199  -7.097
   60    H    ASP   8           HN       ASP   8   1.406 -10.995  -2.934
   61    HA   ASP   8           HA       ASP   8  -0.516 -11.393  -0.937
   62    HB2  ASP   8           HB2      ASP   8   2.315 -12.443  -1.114
   63    HB3  ASP   8           HB1      ASP   8   1.110 -13.018   0.027
   64    H    ASP   9           HN       ASP   9   2.642  -9.896  -0.835
   65    HA   ASP   9           HA       ASP   9   2.767  -9.533   1.984
   66    HB2  ASP   9           HB2      ASP   9   4.196  -7.940  -0.159
   67    HB3  ASP   9           HB1      ASP   9   4.660  -8.072   1.529
   68    H    LEU  10           HN       LEU  10   2.016  -7.420  -0.741
   69    HA   LEU  10           HA       LEU  10   1.402  -5.080   0.677
   70    HB2  LEU  10           HB2      LEU  10   1.826  -5.144  -1.733
   71    HB3  LEU  10           HB1      LEU  10   0.353  -6.061  -1.975
   72    HG   LEU  10           HG       LEU  10  -0.951  -4.104  -1.182
   73   HD11  LEU  10          HD11      LEU  10   0.724  -3.064   0.217
   74   HD12  LEU  10          HD12      LEU  10   0.141  -1.932  -1.002
   75   HD13  LEU  10          HD13      LEU  10   1.713  -2.708  -1.199
   76   HD21  LEU  10          HD21      LEU  10   0.914  -3.565  -3.486
   77   HD22  LEU  10          HD22      LEU  10  -0.622  -2.748  -3.193
   78   HD23  LEU  10          HD23      LEU  10  -0.597  -4.471  -3.561
   79    H    ARG  11           HN       ARG  11  -0.593  -7.753  -0.403
   80    HA   ARG  11           HA       ARG  11  -3.154  -6.926   0.188
   81    HB2  ARG  11           HB2      ARG  11  -2.581  -9.013  -0.961
   82    HB3  ARG  11           HB1      ARG  11  -1.954  -9.672   0.539
   83    HG2  ARG  11           HG2      ARG  11  -4.257  -9.454   1.493
   84    HG3  ARG  11           HG1      ARG  11  -4.811  -9.023  -0.130
   85    HD2  ARG  11           HD2      ARG  11  -3.425 -11.579   0.661
   86    HD3  ARG  11           HD1      ARG  11  -5.139 -11.400   0.304
   87    HE   ARG  11           HE       ARG  11  -4.425 -10.762  -1.968
   88   HH11  ARG  11          HH11      ARG  11  -2.481 -12.945   0.044
   89   HH12  ARG  11          HH12      ARG  11  -1.600 -13.602  -1.261
   90   HH21  ARG  11          HH21      ARG  11  -3.210 -11.698  -3.805
   91   HH22  ARG  11          HH22      ARG  11  -2.041 -12.865  -3.523
   92    H    ARG  12           HN       ARG  12  -0.860  -8.619   2.288
   93    HA   ARG  12           HA       ARG  12  -2.609  -8.761   4.500
   94    HB2  ARG  12           HB2      ARG  12   0.409  -8.846   4.527
   95    HB3  ARG  12           HB1      ARG  12  -0.634  -9.300   5.865
   96    HG2  ARG  12           HG2      ARG  12  -1.604 -11.077   4.426
   97    HG3  ARG  12           HG1      ARG  12  -0.407 -10.663   3.195
   98    HD2  ARG  12           HD2      ARG  12   1.371 -11.089   4.868
   99    HD3  ARG  12           HD1      ARG  12   0.130 -11.630   5.995
  100    HE   ARG  12           HE       ARG  12   0.561 -12.951   3.398
  101   HH11  ARG  12          HH11      ARG  12   0.174 -13.213   6.944
  102   HH12  ARG  12          HH12      ARG  12   0.368 -14.899   6.946
  103   HH21  ARG  12          HH21      ARG  12   0.848 -15.197   3.457
  104   HH22  ARG  12          HH22      ARG  12   0.790 -16.077   4.928
  105    H    ALA  13           HN       ALA  13  -0.166  -6.364   3.655
  106    HA   ALA  13           HA       ALA  13  -0.455  -4.861   6.063
  107    HB1  ALA  13           HB1      ALA  13   0.540  -3.960   3.369
  108    HB2  ALA  13           HB2      ALA  13   1.523  -4.683   4.641
  109    HB3  ALA  13           HB3      ALA  13   0.763  -3.111   4.896
  110    H    LEU  14           HN       LEU  14  -2.001  -4.817   2.942
  111    HA   LEU  14           HA       LEU  14  -3.486  -2.432   3.323
  112    HB2  LEU  14           HB2      LEU  14  -2.888  -3.484   1.125
  113    HB3  LEU  14           HB1      LEU  14  -4.045  -4.742   1.462
  114    HG   LEU  14           HG       LEU  14  -5.885  -3.130   1.375
  115   HD11  LEU  14          HD11      LEU  14  -4.692  -1.166   2.210
  116   HD12  LEU  14          HD12      LEU  14  -5.478  -0.823   0.667
  117   HD13  LEU  14          HD13      LEU  14  -3.738  -1.106   0.728
  118   HD21  LEU  14          HD21      LEU  14  -4.017  -2.946  -0.984
  119   HD22  LEU  14          HD22      LEU  14  -5.747  -2.601  -1.006
  120   HD23  LEU  14          HD23      LEU  14  -5.179  -4.237  -0.678
  121    H    VAL  15           HN       VAL  15  -3.827  -5.626   4.400
  122    HA   VAL  15           HA       VAL  15  -6.595  -5.318   5.192
  123    HB   VAL  15           HB       VAL  15  -4.517  -7.421   5.968
  124   HG11  VAL  15          HG11      VAL  15  -6.170  -7.161   7.755
  125   HG12  VAL  15          HG12      VAL  15  -6.378  -8.701   6.921
  126   HG13  VAL  15          HG13      VAL  15  -7.473  -7.363   6.586
  127   HG21  VAL  15          HG21      VAL  15  -5.838  -8.922   4.554
  128   HG22  VAL  15          HG22      VAL  15  -5.221  -7.546   3.637
  129   HG23  VAL  15          HG23      VAL  15  -6.912  -7.583   4.141
  130    H    GLU  16           HN       GLU  16  -3.425  -5.396   6.767
  131    HA   GLU  16           HA       GLU  16  -4.070  -5.004   9.391
  132    HB2  GLU  16           HB2      GLU  16  -1.667  -4.004   7.891
  133    HB3  GLU  16           HB1      GLU  16  -1.853  -3.860   9.626
  134    HG2  GLU  16           HG2      GLU  16  -2.009  -6.269   9.834
  135    HG3  GLU  16           HG1      GLU  16  -1.844  -6.432   8.085
  136    H    SER  17           HN       SER  17  -3.771  -2.361   6.989
  137    HA   SER  17           HA       SER  17  -4.029  -0.390   8.973
  138    HB2  SER  17           HB2      SER  17  -4.622   1.060   6.871
  139    HB3  SER  17           HB1      SER  17  -2.991   0.426   7.097
  140    HG   SER  17           HG       SER  17  -5.054  -0.697   5.493
  141    H    ALA  18           HN       ALA  18  -6.450  -2.224   7.306
  142    HA   ALA  18           HA       ALA  18  -8.581  -0.493   8.251
  143    HB1  ALA  18           HB1      ALA  18  -8.681  -3.250   6.985
  144    HB2  ALA  18           HB2      ALA  18  -8.896  -1.719   6.133
  145    HB3  ALA  18           HB3      ALA  18 -10.083  -2.239   7.331
  146    H    GLY  19           HN       GLY  19  -7.077  -3.550   8.927
  147    HA2  GLY  19           HA2      GLY  19  -6.674  -3.983  11.279
  148    HA3  GLY  19           HA1      GLY  19  -8.350  -3.506  11.553
  149    H    GLU  20           HN       GLU  20  -9.290  -5.229  12.184
  150    HA   GLU  20           HA       GLU  20  -8.780  -7.773  10.848
  151    HB2  GLU  20           HB2      GLU  20 -10.057  -7.099  13.500
  152    HB3  GLU  20           HB1      GLU  20  -9.860  -8.727  12.863
  153    HG2  GLU  20           HG2      GLU  20  -7.594  -6.829  13.451
  154    HG3  GLU  20           HG1      GLU  20  -8.142  -8.113  14.528
  155    H    THR  21           HN       THR  21 -10.411  -5.491   9.925
  156    HA   THR  21           HA       THR  21 -13.164  -6.005   9.954
  157    HB   THR  21           HB       THR  21 -11.515  -4.836   7.703
  158    HG1  THR  21           HG1      THR  21 -12.191  -3.866  10.254
  159   HG21  THR  21          HG21      THR  21 -13.918  -5.124   7.241
  160   HG22  THR  21          HG22      THR  21 -13.504  -3.414   7.372
  161   HG23  THR  21          HG23      THR  21 -14.309  -4.231   8.712
  162    H    ASP  22           HN       ASP  22 -13.539  -8.243   9.553
  163    HA   ASP  22           HA       ASP  22 -12.331  -9.554   7.330
  164    HB2  ASP  22           HB2      ASP  22 -13.740 -11.480   7.781
  165    HB3  ASP  22           HB1      ASP  22 -13.170 -10.855   9.317
  166    H    GLY  23           HN       GLY  23 -12.863  -9.565   5.346
  167    HA2  GLY  23           HA2      GLY  23 -14.889  -9.717   3.807
  168    HA3  GLY  23           HA1      GLY  23 -15.336  -8.182   4.555
  169    H    THR  24           HN       THR  24 -12.806  -7.081   4.828
  170    HA   THR  24           HA       THR  24 -12.269  -6.386   2.082
  171    HB   THR  24           HB       THR  24 -11.071  -5.238   4.641
  172    HG1  THR  24           HG1      THR  24 -12.443  -3.437   4.074
  173   HG21  THR  24          HG21      THR  24  -9.622  -4.907   2.677
  174   HG22  THR  24          HG22      THR  24 -10.328  -3.375   3.200
  175   HG23  THR  24          HG23      THR  24 -10.976  -4.206   1.788
  176    H    ASP  25           HN       ASP  25 -11.473  -8.491   1.608
  177    HA   ASP  25           HA       ASP  25  -8.635  -8.746   2.315
  178    HB2  ASP  25           HB2      ASP  25  -8.694 -11.103   1.891
  179    HB3  ASP  25           HB1      ASP  25 -10.124 -10.793   2.864
  180    H    LEU  26           HN       LEU  26  -7.420  -9.718   0.314
  181    HA   LEU  26           HA       LEU  26  -8.504  -8.285  -1.983
  182    HB2  LEU  26           HB2      LEU  26  -5.647  -8.198  -1.008
  183    HB3  LEU  26           HB1      LEU  26  -6.185  -7.565  -2.542
  184    HG   LEU  26           HG       LEU  26  -5.885  -5.731  -1.165
  185   HD11  LEU  26          HD11      LEU  26  -8.817  -6.287  -1.176
  186   HD12  LEU  26          HD12      LEU  26  -7.861  -5.513  -2.439
  187   HD13  LEU  26          HD13      LEU  26  -8.078  -4.712  -0.882
  188   HD21  LEU  26          HD21      LEU  26  -6.867  -5.420   1.081
  189   HD22  LEU  26          HD22      LEU  26  -5.736  -6.772   1.021
  190   HD23  LEU  26          HD23      LEU  26  -7.474  -7.076   1.025
  191    H    SER  27           HN       SER  27  -9.202 -10.436  -2.621
  192    HA   SER  27           HA       SER  27  -7.080 -12.266  -3.386
  193    HB2  SER  27           HB2      SER  27 -10.092 -12.563  -3.487
  194    HB3  SER  27           HB1      SER  27  -8.939 -13.815  -3.955
  195    HG   SER  27           HG       SER  27  -9.454 -12.722  -1.390
  196    H    GLY  28           HN       GLY  28  -6.405 -12.567  -5.375
  197    HA2  GLY  28           HA2      GLY  28  -6.426 -12.591  -7.722
  198    HA3  GLY  28           HA1      GLY  28  -8.010 -11.819  -7.689
  199    H    ASP  29           HN       ASP  29  -7.597 -10.114  -9.085
  200    HA   ASP  29           HA       ASP  29  -5.293  -8.479  -8.454
  201    HB2  ASP  29           HB2      ASP  29  -5.673  -8.792 -10.851
  202    HB3  ASP  29           HB1      ASP  29  -7.310  -8.155 -10.698
  203    H    PHE  30           HN       PHE  30  -5.432  -7.098  -7.046
  204    HA   PHE  30           HA       PHE  30  -7.898  -5.544  -6.704
  205    HB2  PHE  30           HB2      PHE  30  -7.132  -5.150  -4.382
  206    HB3  PHE  30           HB1      PHE  30  -7.368  -6.862  -4.702
  207    HD1  PHE  30           HD2      PHE  30  -5.337  -8.326  -5.041
  208    HD2  PHE  30           HD1      PHE  30  -5.028  -4.296  -3.690
  209    HE1  PHE  30           HE2      PHE  30  -3.049  -8.760  -4.258
  210    HE2  PHE  30           HE1      PHE  30  -2.740  -4.730  -2.915
  211    HZ   PHE  30           HZ       PHE  30  -1.799  -7.011  -3.078
  212    H    LEU  31           HN       LEU  31  -5.296  -5.473  -8.351
  213    HA   LEU  31           HA       LEU  31  -3.981  -3.148  -7.301
  214    HB2  LEU  31           HB2      LEU  31  -3.351  -4.868  -9.684
  215    HB3  LEU  31           HB1      LEU  31  -2.395  -3.506  -9.155
  216    HG   LEU  31           HG       LEU  31  -1.265  -5.426  -8.484
  217   HD11  LEU  31          HD11      LEU  31  -2.670  -4.344  -6.071
  218   HD12  LEU  31          HD12      LEU  31  -1.203  -3.720  -6.827
  219   HD13  LEU  31          HD13      LEU  31  -1.189  -5.302  -6.049
  220   HD21  LEU  31          HD21      LEU  31  -3.000  -7.100  -8.673
  221   HD22  LEU  31          HD22      LEU  31  -3.816  -6.460  -7.251
  222   HD23  LEU  31          HD23      LEU  31  -2.237  -7.227  -7.086
  223    H    ASP  32           HN       ASP  32  -6.094  -4.040  -9.987
  224    HA   ASP  32           HA       ASP  32  -5.622  -1.506 -11.314
  225    HB2  ASP  32           HB2      ASP  32  -6.052  -3.655 -12.552
  226    HB3  ASP  32           HB1      ASP  32  -7.720  -3.566 -11.998
  227    H    LEU  33           HN       LEU  33  -7.751  -2.687  -8.975
  228    HA   LEU  33           HA       LEU  33  -9.791  -0.767  -9.554
  229    HB2  LEU  33           HB2      LEU  33 -10.869  -1.550  -7.425
  230    HB3  LEU  33           HB1      LEU  33 -10.623  -2.786  -8.628
  231    HG   LEU  33           HG       LEU  33  -8.574  -3.487  -7.255
  232   HD11  LEU  33          HD11      LEU  33  -8.612  -2.941  -4.883
  233   HD12  LEU  33          HD12      LEU  33  -9.928  -1.799  -5.166
  234   HD13  LEU  33          HD13      LEU  33  -8.342  -1.509  -5.877
  235   HD21  LEU  33          HD21      LEU  33 -11.331  -3.781  -6.079
  236   HD22  LEU  33          HD22      LEU  33  -9.941  -4.803  -5.713
  237   HD23  LEU  33          HD23      LEU  33 -10.616  -4.783  -7.342
  238    H    ARG  34           HN       ARG  34 -10.547   0.515  -7.316
  239    HA   ARG  34           HA       ARG  34  -8.196   2.248  -6.952
  240    HB2  ARG  34           HB2      ARG  34 -11.079   3.017  -6.560
  241    HB3  ARG  34           HB1      ARG  34  -9.693   4.076  -6.742
  242    HG2  ARG  34           HG2      ARG  34 -10.874   2.329  -8.880
  243    HG3  ARG  34           HG1      ARG  34 -11.128   4.060  -8.703
  244    HD2  ARG  34           HD2      ARG  34  -8.874   4.528  -9.255
  245    HD3  ARG  34           HD1      ARG  34  -8.386   2.832  -9.154
  246    HE   ARG  34           HE       ARG  34 -10.456   2.882 -10.925
  247   HH11  ARG  34          HH11      ARG  34  -7.173   4.443 -11.022
  248   HH12  ARG  34          HH12      ARG  34  -7.223   4.573 -12.683
  249   HH21  ARG  34          HH21      ARG  34 -10.409   3.152 -13.213
  250   HH22  ARG  34          HH22      ARG  34  -9.061   3.879 -13.960
  251    H    PHE  35           HN       PHE  35  -8.549   3.553  -4.818
  252    HA   PHE  35           HA       PHE  35  -8.716   1.569  -2.759
  253    HB2  PHE  35           HB2      PHE  35  -8.225   4.538  -2.592
  254    HB3  PHE  35           HB1      PHE  35  -8.089   3.408  -1.240
  255    HD1  PHE  35           HD2      PHE  35  -6.448   1.529  -1.408
  256    HD2  PHE  35           HD1      PHE  35  -6.451   4.822  -4.101
  257    HE1  PHE  35           HE2      PHE  35  -4.144   0.999  -2.063
  258    HE2  PHE  35           HE1      PHE  35  -4.196   4.288  -4.774
  259    HZ   PHE  35           HZ       PHE  35  -3.005   2.377  -3.743
  260    H    GLU  36           HN       GLU  36 -10.826   3.622  -4.245
  261    HA   GLU  36           HA       GLU  36 -12.693   4.189  -2.208
  262    HB2  GLU  36           HB2      GLU  36 -13.128   3.835  -5.172
  263    HB3  GLU  36           HB1      GLU  36 -14.204   4.668  -4.056
  264    HG2  GLU  36           HG2      GLU  36 -12.537   6.364  -3.657
  265    HG3  GLU  36           HG1      GLU  36 -11.379   5.500  -4.665
  266    H    ASP  37           HN       ASP  37 -12.112   1.439  -4.315
  267    HA   ASP  37           HA       ASP  37 -14.518   0.013  -3.982
  268    HB2  ASP  37           HB2      ASP  37 -11.707  -0.995  -4.489
  269    HB3  ASP  37           HB1      ASP  37 -13.150  -1.991  -4.587
  270    H    ILE  38           HN       ILE  38 -11.518   0.061  -2.226
  271    HA   ILE  38           HA       ILE  38 -12.518  -1.935  -0.366
  272    HB   ILE  38           HB       ILE  38 -10.145  -2.028   0.462
  273   HG12  ILE  38          HG12      ILE  38  -9.680  -0.258  -1.960
  274   HG13  ILE  38          HG11      ILE  38  -9.450   0.218  -0.286
  275   HG21  ILE  38          HG21      ILE  38  -9.365  -3.292  -1.507
  276   HG22  ILE  38          HG22      ILE  38 -10.668  -2.558  -2.453
  277   HG23  ILE  38          HG23      ILE  38 -11.055  -3.637  -1.115
  278   HD11  ILE  38          HD11      ILE  38  -7.640  -1.402  -0.079
  279   HD12  ILE  38          HD12      ILE  38  -7.339  -0.251  -1.382
  280   HD13  ILE  38          HD13      ILE  38  -7.885  -1.887  -1.757
  281    H    GLY  39           HN       GLY  39 -13.046   1.048  -0.495
  282    HA2  GLY  39           HA2      GLY  39 -13.603   2.713   1.009
  283    HA3  GLY  39           HA1      GLY  39 -13.632   1.439   2.216
  284    H    TYR  40           HN       TYR  40 -10.908   2.654   0.334
  285    HA   TYR  40           HA       TYR  40  -9.591   3.295   2.861
  286    HB2  TYR  40           HB2      TYR  40  -8.629   2.037   0.393
  287    HB3  TYR  40           HB1      TYR  40  -7.542   3.216   1.119
  288    HD1  TYR  40           HD2      TYR  40  -9.212  -0.020   1.596
  289    HD2  TYR  40           HD1      TYR  40  -6.538   2.845   3.208
  290    HE1  TYR  40           HE2      TYR  40  -8.448  -1.671   3.247
  291    HE2  TYR  40           HE1      TYR  40  -5.770   1.221   4.857
  292    HH   TYR  40           HH       TYR  40  -6.518  -2.067   4.611
  293    H    ASP  41           HN       ASP  41  -9.075   5.201   3.293
  294    HA   ASP  41           HA       ASP  41  -9.294   7.333   1.311
  295    HB2  ASP  41           HB2      ASP  41  -8.883   7.395   4.311
  296    HB3  ASP  41           HB1      ASP  41  -8.913   8.828   3.297
  297    H    SER  42           HN       SER  42  -7.587   9.029   1.389
  298    HA   SER  42           HA       SER  42  -5.062   8.007   0.740
  299    HB2  SER  42           HB2      SER  42  -4.506  10.509   0.924
  300    HB3  SER  42           HB1      SER  42  -5.802  10.061  -0.205
  301    H    LEU  43           HN       LEU  43  -6.367   9.581   3.562
  302    HA   LEU  43           HA       LEU  43  -4.079   9.693   5.176
  303    HB2  LEU  43           HB2      LEU  43  -6.981   9.466   5.937
  304    HB3  LEU  43           HB1      LEU  43  -5.692   9.802   7.069
  305    HG   LEU  43           HG       LEU  43  -6.464  11.571   4.745
  306   HD11  LEU  43          HD11      LEU  43  -6.960  11.876   7.705
  307   HD12  LEU  43          HD12      LEU  43  -8.176  11.524   6.476
  308   HD13  LEU  43          HD13      LEU  43  -7.333  13.074   6.464
  309   HD21  LEU  43          HD21      LEU  43  -4.523  12.010   7.015
  310   HD22  LEU  43          HD22      LEU  43  -4.973  13.203   5.798
  311   HD23  LEU  43          HD23      LEU  43  -4.097  11.745   5.324
  312    H    ALA  44           HN       ALA  44  -6.316   7.075   4.554
  313    HA   ALA  44           HA       ALA  44  -5.366   5.445   6.727
  314    HB1  ALA  44           HB1      ALA  44  -6.792   3.705   5.783
  315    HB2  ALA  44           HB2      ALA  44  -7.061   4.695   4.349
  316    HB3  ALA  44           HB3      ALA  44  -7.666   5.231   5.916
  317    H    LEU  45           HN       LEU  45  -4.747   5.821   3.335
  318    HA   LEU  45           HA       LEU  45  -3.213   3.524   2.844
  319    HB2  LEU  45           HB2      LEU  45  -3.053   6.255   1.596
  320    HB3  LEU  45           HB1      LEU  45  -2.286   4.814   0.952
  321    HG   LEU  45           HG       LEU  45  -5.249   5.205   1.292
  322   HD11  LEU  45          HD11      LEU  45  -3.526   5.203  -1.175
  323   HD12  LEU  45          HD12      LEU  45  -4.342   6.606  -0.479
  324   HD13  LEU  45          HD13      LEU  45  -5.286   5.275  -1.148
  325   HD21  LEU  45          HD21      LEU  45  -5.410   3.127   0.043
  326   HD22  LEU  45          HD22      LEU  45  -4.538   2.900   1.566
  327   HD23  LEU  45          HD23      LEU  45  -3.653   3.003   0.038
  328    H    MET  46           HN       MET  46  -2.493   6.478   4.384
  329    HA   MET  46           HA       MET  46   0.337   6.344   4.273
  330    HB2  MET  46           HB2      MET  46  -1.438   7.736   6.296
  331    HB3  MET  46           HB1      MET  46   0.276   8.051   6.049
  332    HG2  MET  46           HG2      MET  46  -0.134   8.849   3.820
  333    HG3  MET  46           HG1      MET  46  -1.835   8.409   3.950
  334    HE1  MET  46           HE1      MET  46  -2.072  12.262   3.813
  335    HE2  MET  46           HE2      MET  46  -2.682  10.733   3.185
  336    HE3  MET  46           HE3      MET  46  -1.002  11.192   2.904
  337    H    GLU  47           HN       GLU  47  -2.107   4.930   6.325
  338    HA   GLU  47           HA       GLU  47  -0.170   4.019   8.235
  339    HB2  GLU  47           HB2      GLU  47  -2.469   4.576   8.936
  340    HB3  GLU  47           HB1      GLU  47  -3.082   3.267   7.936
  341    HG2  GLU  47           HG2      GLU  47  -1.941   1.631   9.280
  342    HG3  GLU  47           HG1      GLU  47  -1.175   2.902  10.228
  343    H    THR  48           HN       THR  48  -1.923   2.770   5.448
  344    HA   THR  48           HA       THR  48  -1.231   0.082   5.518
  345    HB   THR  48           HB       THR  48  -1.274   1.896   3.084
  346    HG1  THR  48           HG1      THR  48  -3.382   0.590   4.489
  347   HG21  THR  48          HG21      THR  48  -0.440  -0.383   2.646
  348   HG22  THR  48          HG22      THR  48  -2.021  -0.139   1.901
  349   HG23  THR  48          HG23      THR  48  -1.885  -1.057   3.399
  350    H    ALA  49           HN       ALA  49   0.475   2.833   4.049
  351    HA   ALA  49           HA       ALA  49   2.820   1.536   3.283
  352    HB1  ALA  49           HB1      ALA  49   3.804   3.773   3.208
  353    HB2  ALA  49           HB2      ALA  49   2.447   4.405   4.141
  354    HB3  ALA  49           HB3      ALA  49   2.181   3.769   2.517
  355    H    ALA  50           HN       ALA  50   2.005   3.219   6.290
  356    HA   ALA  50           HA       ALA  50   4.444   2.939   7.597
  357    HB1  ALA  50           HB1      ALA  50   2.663   4.455   8.310
  358    HB2  ALA  50           HB2      ALA  50   3.232   3.432   9.631
  359    HB3  ALA  50           HB3      ALA  50   1.705   3.069   8.830
  360    H    ARG  51           HN       ARG  51   1.815   0.648   7.267
  361    HA   ARG  51           HA       ARG  51   2.622  -1.239   9.244
  362    HB2  ARG  51           HB2      ARG  51   1.397  -1.864   6.535
  363    HB3  ARG  51           HB1      ARG  51   1.450  -2.944   7.903
  364    HG2  ARG  51           HG2      ARG  51  -0.146  -0.388   7.739
  365    HG3  ARG  51           HG1      ARG  51  -0.776  -2.007   7.479
  366    HD2  ARG  51           HD2      ARG  51  -1.398  -1.508   9.664
  367    HD3  ARG  51           HD1      ARG  51   0.043  -2.494   9.862
  368    HE   ARG  51           HE       ARG  51   0.587   0.313   9.816
  369   HH11  ARG  51          HH11      ARG  51  -0.456  -2.390  11.903
  370   HH12  ARG  51          HH12      ARG  51  -0.015  -1.636  13.348
  371   HH21  ARG  51          HH21      ARG  51   1.129   1.409  11.877
  372   HH22  ARG  51          HH22      ARG  51   0.906   0.550  13.328
  373    H    LEU  52           HN       LEU  52   3.285  -0.944   5.825
  374    HA   LEU  52           HA       LEU  52   5.141  -3.049   5.666
  375    HB2  LEU  52           HB2      LEU  52   4.547  -0.765   3.802
  376    HB3  LEU  52           HB1      LEU  52   5.679  -2.053   3.420
  377    HG   LEU  52           HG       LEU  52   2.790  -2.573   4.116
  378   HD11  LEU  52          HD11      LEU  52   2.421  -2.926   1.735
  379   HD12  LEU  52          HD12      LEU  52   4.050  -2.328   1.394
  380   HD13  LEU  52          HD13      LEU  52   2.838  -1.256   2.098
  381   HD21  LEU  52          HD21      LEU  52   4.914  -4.276   2.831
  382   HD22  LEU  52          HD22      LEU  52   3.234  -4.747   3.099
  383   HD23  LEU  52          HD23      LEU  52   4.296  -4.441   4.474
  384    H    GLU  53           HN       GLU  53   5.578   0.360   6.396
  385    HA   GLU  53           HA       GLU  53   8.368   0.491   6.151
  386    HB2  GLU  53           HB2      GLU  53   6.639   1.815   8.246
  387    HB3  GLU  53           HB1      GLU  53   8.326   2.196   7.958
  388    HG2  GLU  53           HG2      GLU  53   7.700   2.867   5.649
  389    HG3  GLU  53           HG1      GLU  53   6.008   2.653   6.112
  390    H    SER  54           HN       SER  54   6.398  -0.415   8.890
  391    HA   SER  54           HA       SER  54   8.415  -1.165  10.679
  392    HB2  SER  54           HB2      SER  54   6.182  -0.730  11.437
  393    HB3  SER  54           HB1      SER  54   5.512  -1.937  10.350
  394    HG   SER  54           HG       SER  54   7.173  -2.467  12.625
  395    H    ARG  55           HN       ARG  55   6.696  -2.911   8.191
  396    HA   ARG  55           HA       ARG  55   7.544  -5.508   8.896
  397    HB2  ARG  55           HB2      ARG  55   5.507  -4.920   7.630
  398    HB3  ARG  55           HB1      ARG  55   6.513  -4.504   6.257
  399    HG2  ARG  55           HG2      ARG  55   7.264  -6.799   6.087
  400    HG3  ARG  55           HG1      ARG  55   6.311  -7.226   7.514
  401    HD2  ARG  55           HD2      ARG  55   4.293  -6.401   6.301
  402    HD3  ARG  55           HD1      ARG  55   5.298  -6.232   4.864
  403    HE   ARG  55           HE       ARG  55   5.623  -8.602   4.886
  404   HH11  ARG  55          HH11      ARG  55   3.072  -7.346   6.995
  405   HH12  ARG  55          HH12      ARG  55   2.199  -8.800   7.100
  406   HH21  ARG  55          HH21      ARG  55   4.420 -10.630   4.946
  407   HH22  ARG  55          HH22      ARG  55   3.042 -10.748   5.943
  408    H    TYR  56           HN       TYR  56   8.919  -3.120   6.639
  409    HA   TYR  56           HA       TYR  56  10.982  -5.135   5.988
  410    HB2  TYR  56           HB2      TYR  56   9.931  -2.929   4.247
  411    HB3  TYR  56           HB1      TYR  56  11.325  -3.927   3.849
  412    HD1  TYR  56           HD2      TYR  56  10.982  -6.428   3.707
  413    HD2  TYR  56           HD1      TYR  56   7.773  -3.651   3.769
  414    HE1  TYR  56           HE2      TYR  56   9.497  -8.136   2.777
  415    HE2  TYR  56           HE1      TYR  56   6.276  -5.359   2.849
  416    HH   TYR  56           HH       TYR  56   6.994  -8.557   2.877
  417    H    GLY  57           HN       GLY  57  10.603  -2.139   7.503
  418    HA2  GLY  57           HA2      GLY  57  12.245  -0.857   8.475
  419    HA3  GLY  57           HA1      GLY  57  13.463  -1.850   7.672
  420    H    VAL  58           HN       VAL  58  10.758   0.023   6.466
  421    HA   VAL  58           HA       VAL  58  12.654   1.474   4.799
  422    HB   VAL  58           HB       VAL  58  10.910   1.774   3.048
  423   HG11  VAL  58          HG11      VAL  58  12.608   0.093   2.800
  424   HG12  VAL  58          HG12      VAL  58  11.079  -0.465   2.119
  425   HG13  VAL  58          HG13      VAL  58  11.620  -1.069   3.688
  426   HG21  VAL  58          HG21      VAL  58   8.969   0.296   3.007
  427   HG22  VAL  58          HG22      VAL  58   8.913   1.385   4.395
  428   HG23  VAL  58          HG23      VAL  58   9.381  -0.305   4.615
  429    H    SER  59           HN       SER  59  11.476   3.503   3.818
  430    HA   SER  59           HA       SER  59  10.110   4.854   6.008
  431    HB2  SER  59           HB2      SER  59  12.454   5.929   4.418
  432    HB3  SER  59           HB1      SER  59  11.591   6.776   5.710
  433    HG   SER  59           HG       SER  59  12.178   4.576   6.788
  434    H    ILE  60           HN       ILE  60   8.228   5.329   5.184
  435    HA   ILE  60           HA       ILE  60   8.075   6.262   2.390
  436    HB   ILE  60           HB       ILE  60   5.926   4.733   3.892
  437   HG12  ILE  60          HG12      ILE  60   7.711   3.742   1.655
  438   HG13  ILE  60          HG11      ILE  60   7.978   3.376   3.353
  439   HG21  ILE  60          HG21      ILE  60   5.068   6.262   2.172
  440   HG22  ILE  60          HG22      ILE  60   4.853   4.584   1.675
  441   HG23  ILE  60          HG23      ILE  60   6.159   5.547   0.983
  442   HD11  ILE  60          HD11      ILE  60   6.890   1.542   2.209
  443   HD12  ILE  60          HD12      ILE  60   5.568   2.606   1.729
  444   HD13  ILE  60          HD13      ILE  60   5.827   2.231   3.435
  445    HA   PRO  61           HA       PRO  61   6.636   9.879   4.640
  446    HB2  PRO  61           HB2      PRO  61   6.336  10.961   1.910
  447    HB3  PRO  61           HB1      PRO  61   7.288  11.581   3.265
  448    HG2  PRO  61           HG2      PRO  61   8.471  10.449   1.154
  449    HG3  PRO  61           HG1      PRO  61   9.091  10.200   2.799
  450    HD2  PRO  61           HD2      PRO  61   7.402   8.382   1.118
  451    HD3  PRO  61           HD1      PRO  61   8.812   7.991   2.129
  452    H    ASP  62           HN       ASP  62   4.701  10.439   5.210
  453    HA   ASP  62           HA       ASP  62   2.389   9.045   4.671
  454    HB2  ASP  62           HB2      ASP  62   2.664  11.851   5.731
  455    HB3  ASP  62           HB1      ASP  62   1.165  10.937   5.741
  456    H    ASP  63           HN       ASP  63   3.160  12.290   3.504
  457    HA   ASP  63           HA       ASP  63   0.732  12.759   2.173
  458    HB2  ASP  63           HB2      ASP  63   3.449  13.984   1.846
  459    HB3  ASP  63           HB1      ASP  63   2.104  14.467   0.827
  460    H    VAL  64           HN       VAL  64   3.447  10.947   1.155
  461    HA   VAL  64           HA       VAL  64   3.010  11.150  -1.655
  462    HB   VAL  64           HB       VAL  64   4.493   9.035  -0.092
  463   HG11  VAL  64          HG11      VAL  64   4.016   8.323  -2.399
  464   HG12  VAL  64          HG12      VAL  64   5.741   8.643  -2.202
  465   HG13  VAL  64          HG13      VAL  64   4.708   9.823  -3.016
  466   HG21  VAL  64          HG21      VAL  64   6.524  10.329  -0.623
  467   HG22  VAL  64          HG22      VAL  64   5.382  11.235   0.371
  468   HG23  VAL  64          HG23      VAL  64   5.514  11.579  -1.353
  469    H    ALA  65           HN       ALA  65   1.599   9.292   0.878
  470    HA   ALA  65           HA       ALA  65   0.605   7.189  -0.807
  471    HB1  ALA  65           HB1      ALA  65  -0.179   7.938   2.010
  472    HB2  ALA  65           HB2      ALA  65   1.083   6.789   1.564
  473    HB3  ALA  65           HB3      ALA  65  -0.604   6.442   1.178
  474    H    GLY  66           HN       GLY  66  -0.211  10.370  -0.405
  475    HA2  GLY  66           HA2      GLY  66  -3.057   9.955  -0.927
  476    HA3  GLY  66           HA1      GLY  66  -2.273  11.497  -0.580
  477    H    ARG  67           HN       ARG  67  -0.467   9.662  -2.714
  478    HA   ARG  67           HA       ARG  67  -1.588  11.137  -5.003
  479    HB2  ARG  67           HB2      ARG  67   0.680  11.850  -4.094
  480    HB3  ARG  67           HB1      ARG  67   1.288  10.300  -4.655
  481    HG2  ARG  67           HG2      ARG  67   0.624  10.892  -6.938
  482    HG3  ARG  67           HG1      ARG  67   0.066  12.456  -6.351
  483    HD2  ARG  67           HD2      ARG  67   2.388  12.836  -5.487
  484    HD3  ARG  67           HD1      ARG  67   2.869  11.385  -6.374
  485    HE   ARG  67           HE       ARG  67   1.556  13.629  -7.700
  486   HH11  ARG  67          HH11      ARG  67   4.267  11.372  -7.511
  487   HH12  ARG  67          HH12      ARG  67   5.036  11.981  -8.914
  488   HH21  ARG  67          HH21      ARG  67   2.613  14.427  -9.622
  489   HH22  ARG  67          HH22      ARG  67   4.064  13.743 -10.138
  490    H    VAL  68           HN       VAL  68  -1.479   8.130  -3.735
  491    HA   VAL  68           HA       VAL  68  -0.722   6.794  -6.191
  492    HB   VAL  68           HB       VAL  68  -1.012   4.651  -4.910
  493   HG11  VAL  68          HG11      VAL  68   1.165   5.692  -5.118
  494   HG12  VAL  68          HG12      VAL  68   0.997   4.936  -3.534
  495   HG13  VAL  68          HG13      VAL  68   0.848   6.686  -3.696
  496   HG21  VAL  68          HG21      VAL  68  -1.410   6.490  -2.544
  497   HG22  VAL  68          HG22      VAL  68  -1.181   4.743  -2.462
  498   HG23  VAL  68          HG23      VAL  68  -2.625   5.409  -3.227
  499    H    ASP  69           HN       ASP  69  -2.093   6.482  -7.692
  500    HA   ASP  69           HA       ASP  69  -4.888   6.875  -7.468
  501    HB2  ASP  69           HB2      ASP  69  -3.479   7.221  -9.524
  502    HB3  ASP  69           HB1      ASP  69  -3.349   5.481  -9.650
  503    H    THR  70           HN       THR  70  -2.982   3.930  -8.068
  504    HA   THR  70           HA       THR  70  -5.272   2.309  -7.156
  505    HB   THR  70           HB       THR  70  -4.448   0.560  -8.687
  506    HG1  THR  70           HG1      THR  70  -2.701   2.532  -9.781
  507   HG21  THR  70          HG21      THR  70  -4.904   3.230 -10.015
  508   HG22  THR  70          HG22      THR  70  -6.167   2.108  -9.501
  509   HG23  THR  70          HG23      THR  70  -5.065   1.664 -10.814
  510    HA   PRO  71           HA       PRO  71  -2.547   0.330  -4.205
  511    HB2  PRO  71           HB2      PRO  71  -3.409  -2.294  -5.337
  512    HB3  PRO  71           HB1      PRO  71  -3.446  -1.728  -3.660
  513    HG2  PRO  71           HG2      PRO  71  -5.695  -1.826  -5.013
  514    HG3  PRO  71           HG1      PRO  71  -5.340  -0.395  -4.023
  515    HD2  PRO  71           HD2      PRO  71  -5.045  -0.753  -6.991
  516    HD3  PRO  71           HD1      PRO  71  -5.774   0.598  -6.094
  517    H    ARG  72           HN       ARG  72  -2.348  -0.730  -7.578
  518    HA   ARG  72           HA       ARG  72   0.189  -2.004  -7.194
  519    HB2  ARG  72           HB2      ARG  72   0.403  -2.101  -9.651
  520    HB3  ARG  72           HB1      ARG  72  -1.154  -2.702  -9.112
  521    HG2  ARG  72           HG2      ARG  72  -2.234  -0.686  -9.810
  522    HG3  ARG  72           HG1      ARG  72  -0.682   0.055 -10.196
  523    HD2  ARG  72           HD2      ARG  72  -1.807  -0.720 -12.201
  524    HD3  ARG  72           HD1      ARG  72  -0.310  -1.604 -11.935
  525    HE   ARG  72           HE       ARG  72  -1.667  -3.460 -11.139
  526   HH11  ARG  72          HH11      ARG  72  -3.293  -0.936 -13.013
  527   HH12  ARG  72          HH12      ARG  72  -4.552  -1.919 -13.573
  528   HH21  ARG  72          HH21      ARG  72  -3.388  -4.884 -11.881
  529   HH22  ARG  72          HH22      ARG  72  -4.561  -4.307 -12.930
  530    H    GLU  73           HN       GLU  73  -0.841   1.213  -7.782
  531    HA   GLU  73           HA       GLU  73   1.614   2.335  -8.640
  532    HB2  GLU  73           HB2      GLU  73  -0.764   3.350  -8.608
  533    HB3  GLU  73           HB1      GLU  73  -0.456   3.696  -6.918
  534    HG2  GLU  73           HG2      GLU  73  -0.025   5.648  -8.190
  535    HG3  GLU  73           HG1      GLU  73   1.519   5.012  -7.611
  536    H    LEU  74           HN       LEU  74   0.064   1.814  -5.549
  537    HA   LEU  74           HA       LEU  74   2.081   2.918  -3.884
  538    HB2  LEU  74           HB2      LEU  74  -0.360   2.579  -3.315
  539    HB3  LEU  74           HB1      LEU  74  -0.066   0.867  -3.230
  540    HG   LEU  74           HG       LEU  74  -0.317   2.028  -1.032
  541   HD11  LEU  74          HD11      LEU  74   1.533   0.935   0.104
  542   HD12  LEU  74          HD12      LEU  74   2.324   0.673  -1.450
  543   HD13  LEU  74          HD13      LEU  74   0.780  -0.108  -1.103
  544   HD21  LEU  74          HD21      LEU  74   2.339   3.265  -1.737
  545   HD22  LEU  74          HD22      LEU  74   1.552   3.339  -0.157
  546   HD23  LEU  74          HD23      LEU  74   0.800   4.109  -1.554
  547    H    LEU  75           HN       LEU  75   1.369  -0.299  -5.085
  548    HA   LEU  75           HA       LEU  75   3.249  -1.892  -3.814
  549    HB2  LEU  75           HB2      LEU  75   1.479  -2.734  -5.254
  550    HB3  LEU  75           HB1      LEU  75   2.205  -1.966  -6.644
  551    HG   LEU  75           HG       LEU  75   4.166  -3.522  -6.355
  552   HD11  LEU  75          HD11      LEU  75   3.821  -4.105  -4.030
  553   HD12  LEU  75          HD12      LEU  75   3.816  -5.544  -5.051
  554   HD13  LEU  75          HD13      LEU  75   2.297  -4.890  -4.437
  555   HD21  LEU  75          HD21      LEU  75   2.449  -3.890  -8.033
  556   HD22  LEU  75          HD22      LEU  75   1.464  -4.749  -6.846
  557   HD23  LEU  75          HD23      LEU  75   3.012  -5.420  -7.359
  558    H    ASP  76           HN       ASP  76   3.550  -0.206  -6.936
  559    HA   ASP  76           HA       ASP  76   6.227  -0.887  -7.459
  560    HB2  ASP  76           HB2      ASP  76   4.699  -0.045  -9.192
  561    HB3  ASP  76           HB1      ASP  76   4.724   1.546  -8.435
  562    H    LEU  77           HN       LEU  77   4.841   1.867  -5.847
  563    HA   LEU  77           HA       LEU  77   7.009   3.564  -5.516
  564    HB2  LEU  77           HB2      LEU  77   4.618   4.008  -4.902
  565    HB3  LEU  77           HB1      LEU  77   4.803   2.960  -3.526
  566    HG   LEU  77           HG       LEU  77   6.302   5.581  -3.859
  567   HD11  LEU  77          HD11      LEU  77   3.908   5.954  -3.799
  568   HD12  LEU  77          HD12      LEU  77   4.657   6.484  -2.292
  569   HD13  LEU  77          HD13      LEU  77   3.775   4.957  -2.350
  570   HD21  LEU  77          HD21      LEU  77   6.663   5.417  -1.425
  571   HD22  LEU  77          HD22      LEU  77   7.352   4.015  -2.232
  572   HD23  LEU  77          HD23      LEU  77   5.813   3.874  -1.391
  573    H    ILE  78           HN       ILE  78   5.924   0.955  -3.402
  574    HA   ILE  78           HA       ILE  78   8.174   1.288  -1.677
  575    HB   ILE  78           HB       ILE  78   6.195  -1.013  -1.695
  576   HG12  ILE  78          HG12      ILE  78   6.130   1.608  -0.186
  577   HG13  ILE  78          HG11      ILE  78   5.108   1.204  -1.559
  578   HG21  ILE  78          HG21      ILE  78   8.257  -1.408  -0.389
  579   HG22  ILE  78          HG22      ILE  78   6.858  -1.221   0.674
  580   HG23  ILE  78          HG23      ILE  78   7.998   0.108   0.476
  581   HD11  ILE  78          HD11      ILE  78   3.925   0.971   0.533
  582   HD12  ILE  78          HD12      ILE  78   5.127  -0.191   1.097
  583   HD13  ILE  78          HD13      ILE  78   4.093  -0.584  -0.276
  584    H    ASN  79           HN       ASN  79   7.351  -0.819  -4.352
  585    HA   ASN  79           HA       ASN  79   9.464  -2.668  -4.012
  586    HB2  ASN  79           HB2      ASN  79   7.854  -1.855  -6.407
  587    HB3  ASN  79           HB1      ASN  79   9.301  -2.816  -6.644
  588   HD21  ASN  79          HD21      ASN  79   7.048  -3.132  -3.917
  589   HD22  ASN  79          HD22      ASN  79   6.503  -4.717  -4.379
  590    H    GLY  80           HN       GLY  80   9.350   0.451  -5.631
  591    HA2  GLY  80           HA2      GLY  80  11.981   0.404  -6.640
  592    HA3  GLY  80           HA1      GLY  80  11.042   1.853  -6.282
  593    H    ALA  81           HN       ALA  81  10.641   1.583  -3.596
  594    HA   ALA  81           HA       ALA  81  13.035   2.594  -2.499
  595    HB1  ALA  81           HB1      ALA  81  10.605   1.547  -1.033
  596    HB2  ALA  81           HB2      ALA  81  10.799   3.186  -1.648
  597    HB3  ALA  81           HB3      ALA  81  11.851   2.598  -0.361
  598    H    LEU  82           HN       LEU  82  11.455  -0.538  -2.165
  599    HA   LEU  82           HA       LEU  82  13.136  -1.695  -0.264
  600    HB2  LEU  82           HB2      LEU  82  11.421  -2.893  -2.394
  601    HB3  LEU  82           HB1      LEU  82  12.348  -3.876  -1.283
  602    HG   LEU  82           HG       LEU  82  10.206  -1.913  -0.475
  603   HD11  LEU  82          HD11      LEU  82  10.195  -4.923  -0.653
  604   HD12  LEU  82          HD12      LEU  82   9.321  -3.820  -1.718
  605   HD13  LEU  82          HD13      LEU  82   8.897  -3.917  -0.010
  606   HD21  LEU  82          HD21      LEU  82  10.413  -3.003   1.697
  607   HD22  LEU  82          HD22      LEU  82  11.932  -2.247   1.212
  608   HD23  LEU  82          HD23      LEU  82  11.734  -3.995   1.076
  609    H    ALA  83           HN       ALA  83  13.650  -1.250  -3.640
  610    HA   ALA  83           HA       ALA  83  15.590  -3.271  -4.032
  611    HB1  ALA  83           HB1      ALA  83  14.414  -2.174  -5.888
  612    HB2  ALA  83           HB2      ALA  83  16.166  -2.075  -6.076
  613    HB3  ALA  83           HB3      ALA  83  15.256  -0.668  -5.522
  614    H    GLU  84           HN       GLU  84  15.725  -0.239  -2.418
  615    HA   GLU  84           HA       GLU  84  18.648  -0.456  -2.275
  616    HB2  GLU  84           HB2      GLU  84  17.737   1.469  -3.642
  617    HB3  GLU  84           HB1      GLU  84  17.013   2.079  -2.166
  618    HG2  GLU  84           HG2      GLU  84  19.244   2.286  -1.182
  619    HG3  GLU  84           HG1      GLU  84  19.949   1.713  -2.697
  620    H    ALA  85           HN       ALA  85  16.342  -1.487  -0.673
  621    HA   ALA  85           HA       ALA  85  16.899  -0.176   1.883
  622    HB1  ALA  85           HB1      ALA  85  14.812  -1.199   2.675
  623    HB2  ALA  85           HB2      ALA  85  14.573  -1.932   1.088
  624    HB3  ALA  85           HB3      ALA  85  14.524  -0.177   1.264
  625    H    ALA  86           HN       ALA  86  17.969  -1.295   3.333
  626    HA   ALA  86           HA       ALA  86  18.694  -4.054   2.679
  627    HB1  ALA  86           HB1      ALA  86  20.617  -3.717   4.167
  628    HB2  ALA  86           HB2      ALA  86  20.045  -2.094   4.543
  629    HB3  ALA  86           HB3      ALA  86  20.568  -2.486   2.906
  630    H28  SXV  87          H28A      SXV  87  -5.251  14.679   0.563
  631   H28A  SXV  87          H28B      SXV  87  -5.879  14.932   2.185
  632    H30  SXV  87          H30C      SXV  87  -4.405  15.202   4.068
  633   H30A  SXV  87          H30A      SXV  87  -2.660  15.015   3.898
  634   H30B  SXV  87          H30B      SXV  87  -3.716  13.614   3.723
  635    H31  SXV  87          H31C      SXV  87  -2.580  13.180   1.680
  636   H31A  SXV  87          H31A      SXV  87  -1.653  14.666   1.546
  637   H31B  SXV  87          H31B      SXV  87  -2.784  14.182   0.260
  638    H32  SXV  87          H32A      SXV  87  -2.638  16.862   1.968
  639   HO33  SXV  87          H33A      SXV  87  -4.942  17.826   2.064
  640   HN36  SXV  87          H36A      SXV  87  -2.533  16.027  -0.469
  641    H37  SXV  87          H37B      SXV  87  -4.543  17.459  -2.034
  642   H37A  SXV  87          H37A      SXV  87  -4.006  15.852  -2.497
  643    H38  SXV  87          H38B      SXV  87  -2.263  18.302  -2.293
  644   H38A  SXV  87          H38A      SXV  87  -2.935  17.644  -3.790
  645   HN41  SXV  87          H41A      SXV  87  -0.706  17.822  -4.326
  646    H42  SXV  87          H42B      SXV  87   0.539  15.490  -4.888
  647   H42A  SXV  87          H42A      SXV  87   1.253  15.975  -3.353
  648    H43  SXV  87          H43B      SXV  87   1.172  17.656  -5.854
  649   H43A  SXV  87          H43A      SXV  87   1.939  18.104  -4.334
  650    H1   SXV  87           H1B      SXV  87   4.276  18.603  -5.523
  651    H1A  SXV  87           H1A      SXV  87   5.057  17.488  -6.656
  652    H2   SXV  87           H2A      SXV  87   4.022  19.334  -7.789
  653    H2A  SXV  87           H2B      SXV  87   2.437  18.826  -7.205
  654    H4   SXV  87           H4C      SXV  87   3.846  18.836 -10.291
  655    H4A  SXV  87           H4A      SXV  87   3.896  17.113 -10.678
  656    H4B  SXV  87           H4B      SXV  87   5.156  17.829  -9.662
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  18.925 -12.455  -1.466
    2    H2   MET   1           HT2      MET   1  17.387 -11.837  -1.813
    3    H3   MET   1           HT3      MET   1  18.187 -11.356  -0.424
    4    HA   MET   1           HA       MET   1  19.810 -10.193  -1.547
    5    HB2  MET   1           HB2      MET   1  20.142 -11.578  -3.503
    6    HB3  MET   1           HB1      MET   1  18.511 -11.258  -4.069
    7    HG2  MET   1           HG2      MET   1  20.188 -10.031  -5.354
    8    HG3  MET   1           HG1      MET   1  19.075  -8.953  -4.520
    9    HE1  MET   1           HE1      MET   1  22.199 -10.916  -3.037
   10    HE2  MET   1           HE2      MET   1  23.454  -9.687  -3.191
   11    HE3  MET   1           HE3      MET   1  22.739 -10.404  -4.637
   12    H    ALA   2           HN       ALA   2  16.726 -10.146  -3.406
   13    HA   ALA   2           HA       ALA   2  16.124  -7.662  -2.024
   14    HB1  ALA   2           HB1      ALA   2  15.384  -6.630  -4.115
   15    HB2  ALA   2           HB2      ALA   2  15.894  -8.064  -5.010
   16    HB3  ALA   2           HB3      ALA   2  17.094  -7.058  -4.201
   17    H    THR   3           HN       THR   3  14.586  -8.616  -0.801
   18    HA   THR   3           HA       THR   3  12.533 -10.216  -1.981
   19    HB   THR   3           HB       THR   3  11.686  -9.879   0.503
   20    HG1  THR   3           HG1      THR   3  12.971  -8.478   1.440
   21   HG21  THR   3          HG21      THR   3  12.541 -11.993  -0.417
   22   HG22  THR   3          HG22      THR   3  13.145 -11.731   1.218
   23   HG23  THR   3          HG23      THR   3  14.195 -11.435  -0.166
   24    H    LEU   4           HN       LEU   4  11.118  -9.154  -3.191
   25    HA   LEU   4           HA       LEU   4  10.153  -6.505  -2.371
   26    HB2  LEU   4           HB2      LEU   4   9.824  -7.913  -5.028
   27    HB3  LEU   4           HB1      LEU   4   9.423  -6.251  -4.664
   28    HG   LEU   4           HG       LEU   4  12.218  -7.395  -4.798
   29   HD11  LEU   4          HD11      LEU   4  12.430  -6.062  -6.832
   30   HD12  LEU   4          HD12      LEU   4  10.734  -5.591  -6.694
   31   HD13  LEU   4          HD13      LEU   4  11.160  -7.279  -6.978
   32   HD21  LEU   4          HD21      LEU   4  12.060  -5.543  -3.211
   33   HD22  LEU   4          HD22      LEU   4  11.282  -4.548  -4.443
   34   HD23  LEU   4          HD23      LEU   4  12.953  -5.066  -4.655
   35    H    LEU   5           HN       LEU   5   8.062  -6.406  -1.684
   36    HA   LEU   5           HA       LEU   5   6.660  -8.825  -1.431
   37    HB2  LEU   5           HB2      LEU   5   4.778  -7.459  -0.469
   38    HB3  LEU   5           HB1      LEU   5   6.298  -7.369   0.372
   39    HG   LEU   5           HG       LEU   5   6.644  -5.092  -0.679
   40   HD11  LEU   5          HD11      LEU   5   5.115  -5.303  -2.571
   41   HD12  LEU   5          HD12      LEU   5   4.699  -3.923  -1.551
   42   HD13  LEU   5          HD13      LEU   5   3.753  -5.407  -1.458
   43   HD21  LEU   5          HD21      LEU   5   4.219  -5.527   1.028
   44   HD22  LEU   5          HD22      LEU   5   5.067  -3.989   0.834
   45   HD23  LEU   5          HD23      LEU   5   5.883  -5.371   1.588
   46    H    THR   6           HN       THR   6   5.005  -9.685  -2.408
   47    HA   THR   6           HA       THR   6   4.471  -8.660  -5.042
   48    HB   THR   6           HB       THR   6   3.576 -10.980  -5.379
   49    HG1  THR   6           HG1      THR   6   3.296 -12.131  -3.755
   50   HG21  THR   6          HG21      THR   6   5.896 -10.411  -5.980
   51   HG22  THR   6          HG22      THR   6   5.789 -12.064  -5.373
   52   HG23  THR   6          HG23      THR   6   6.413 -10.783  -4.335
   53    H    THR   7           HN       THR   7   1.984  -9.851  -5.586
   54    HA   THR   7           HA       THR   7   0.210  -7.914  -4.642
   55    HB   THR   7           HB       THR   7  -1.572  -9.383  -5.625
   56    HG1  THR   7           HG1      THR   7  -1.162 -11.386  -6.062
   57   HG21  THR   7          HG21      THR   7  -0.402  -7.753  -6.992
   58   HG22  THR   7          HG22      THR   7  -0.768  -9.198  -7.935
   59   HG23  THR   7          HG23      THR   7   0.873  -8.924  -7.337
   60    H    ASP   8           HN       ASP   8   0.671 -11.252  -3.669
   61    HA   ASP   8           HA       ASP   8  -1.523 -11.379  -1.905
   62    HB2  ASP   8           HB2      ASP   8   0.982 -13.067  -1.998
   63    HB3  ASP   8           HB1      ASP   8  -0.379 -13.392  -0.933
   64    H    ASP   9           HN       ASP   9   1.842 -10.518  -1.410
   65    HA   ASP   9           HA       ASP   9   1.572 -10.383   1.436
   66    HB2  ASP   9           HB2      ASP   9   3.807 -10.610   0.192
   67    HB3  ASP   9           HB1      ASP   9   3.659  -8.891  -0.140
   68    H    LEU  10           HN       LEU  10   1.494  -8.043  -1.200
   69    HA   LEU  10           HA       LEU  10   1.193  -5.726   0.336
   70    HB2  LEU  10           HB2      LEU  10   1.667  -5.716  -2.084
   71    HB3  LEU  10           HB1      LEU  10   0.049  -6.314  -2.398
   72    HG   LEU  10           HG       LEU  10  -0.863  -4.232  -1.393
   73   HD11  LEU  10          HD11      LEU  10   0.621  -2.314  -1.100
   74   HD12  LEU  10          HD12      LEU  10   2.013  -3.355  -1.404
   75   HD13  LEU  10          HD13      LEU  10   1.001  -3.627   0.014
   76   HD21  LEU  10          HD21      LEU  10  -0.655  -4.459  -3.804
   77   HD22  LEU  10          HD22      LEU  10   1.004  -3.864  -3.729
   78   HD23  LEU  10          HD23      LEU  10  -0.337  -2.797  -3.307
   79    H    ARG  11           HN       ARG  11  -1.164  -8.029  -0.881
   80    HA   ARG  11           HA       ARG  11  -3.507  -6.742  -0.076
   81    HB2  ARG  11           HB2      ARG  11  -3.465  -8.747  -1.502
   82    HB3  ARG  11           HB1      ARG  11  -2.919  -9.704  -0.136
   83    HG2  ARG  11           HG2      ARG  11  -5.030  -9.251   1.020
   84    HG3  ARG  11           HG1      ARG  11  -5.578  -8.306  -0.370
   85    HD2  ARG  11           HD2      ARG  11  -4.853 -11.233  -0.376
   86    HD3  ARG  11           HD1      ARG  11  -6.486 -10.564  -0.451
   87    HE   ARG  11           HE       ARG  11  -5.890  -9.580  -2.565
   88   HH11  ARG  11          HH11      ARG  11  -4.020 -12.353  -1.424
   89   HH12  ARG  11          HH12      ARG  11  -3.345 -12.777  -2.910
   90   HH21  ARG  11          HH21      ARG  11  -5.019 -10.154  -4.733
   91   HH22  ARG  11          HH22      ARG  11  -3.955 -11.469  -4.879
   92    H    ARG  12           HN       ARG  12  -1.520  -9.128   1.642
   93    HA   ARG  12           HA       ARG  12  -2.964  -9.191   4.071
   94    HB2  ARG  12           HB2      ARG  12   0.031  -9.475   3.771
   95    HB3  ARG  12           HB1      ARG  12  -0.935 -10.035   5.120
   96    HG2  ARG  12           HG2      ARG  12  -1.999 -11.687   3.673
   97    HG3  ARG  12           HG1      ARG  12  -1.037 -11.103   2.305
   98    HD2  ARG  12           HD2      ARG  12   1.003 -11.566   3.694
   99    HD3  ARG  12           HD1      ARG  12  -0.051 -12.369   4.845
  100    HE   ARG  12           HE       ARG  12  -0.601 -13.617   2.511
  101   HH11  ARG  12          HH11      ARG  12   2.392 -12.867   4.196
  102   HH12  ARG  12          HH12      ARG  12   3.255 -14.254   3.707
  103   HH21  ARG  12          HH21      ARG  12   0.546 -15.594   1.773
  104   HH22  ARG  12          HH22      ARG  12   2.163 -15.840   2.270
  105    H    ALA  13           HN       ALA  13  -0.279  -7.213   2.990
  106    HA   ALA  13           HA       ALA  13   0.230  -5.751   5.314
  107    HB1  ALA  13           HB1      ALA  13   1.769  -5.871   3.433
  108    HB2  ALA  13           HB2      ALA  13   1.382  -4.192   3.844
  109    HB3  ALA  13           HB3      ALA  13   0.632  -4.953   2.445
  110    H    LEU  14           HN       LEU  14  -1.919  -5.091   2.598
  111    HA   LEU  14           HA       LEU  14  -2.677  -2.534   3.561
  112    HB2  LEU  14           HB2      LEU  14  -2.845  -3.374   1.174
  113    HB3  LEU  14           HB1      LEU  14  -4.246  -4.295   1.679
  114    HG   LEU  14           HG       LEU  14  -5.395  -2.189   2.278
  115   HD11  LEU  14          HD11      LEU  14  -2.958  -0.886   1.071
  116   HD12  LEU  14          HD12      LEU  14  -3.428  -0.836   2.771
  117   HD13  LEU  14          HD13      LEU  14  -4.440  -0.058   1.553
  118   HD21  LEU  14          HD21      LEU  14  -5.715  -3.178   0.081
  119   HD22  LEU  14          HD22      LEU  14  -4.315  -2.298  -0.535
  120   HD23  LEU  14          HD23      LEU  14  -5.756  -1.419  -0.015
  121    H    VAL  15           HN       VAL  15  -3.829  -5.796   4.053
  122    HA   VAL  15           HA       VAL  15  -6.186  -4.987   5.427
  123    HB   VAL  15           HB       VAL  15  -4.806  -7.707   5.524
  124   HG11  VAL  15          HG11      VAL  15  -6.300  -7.399   7.424
  125   HG12  VAL  15          HG12      VAL  15  -6.961  -8.582   6.295
  126   HG13  VAL  15          HG13      VAL  15  -7.612  -6.942   6.338
  127   HG21  VAL  15          HG21      VAL  15  -7.135  -6.770   3.856
  128   HG22  VAL  15          HG22      VAL  15  -6.513  -8.419   3.926
  129   HG23  VAL  15          HG23      VAL  15  -5.509  -7.123   3.271
  130    H    GLU  16           HN       GLU  16  -2.875  -5.232   6.314
  131    HA   GLU  16           HA       GLU  16  -3.057  -5.613   9.088
  132    HB2  GLU  16           HB2      GLU  16  -0.997  -4.027   7.514
  133    HB3  GLU  16           HB1      GLU  16  -0.892  -4.322   9.234
  134    HG2  GLU  16           HG2      GLU  16  -0.782  -6.727   8.824
  135    HG3  GLU  16           HG1      GLU  16  -0.888  -6.435   7.089
  136    H    SER  17           HN       SER  17  -3.646  -2.796   7.150
  137    HA   SER  17           HA       SER  17  -4.089  -1.249   9.580
  138    HB2  SER  17           HB2      SER  17  -2.620  -0.257   7.857
  139    HB3  SER  17           HB1      SER  17  -3.962  -0.298   6.712
  140    HG   SER  17           HG       SER  17  -5.081   1.121   8.025
  141    H    ALA  18           HN       ALA  18  -5.775  -3.042   7.281
  142    HA   ALA  18           HA       ALA  18  -8.155  -1.401   7.282
  143    HB1  ALA  18           HB1      ALA  18  -7.476  -2.671   5.275
  144    HB2  ALA  18           HB2      ALA  18  -9.109  -3.054   5.820
  145    HB3  ALA  18           HB3      ALA  18  -7.786  -4.169   6.155
  146    H    GLY  19           HN       GLY  19  -6.930  -4.198   8.936
  147    HA2  GLY  19           HA2      GLY  19  -7.752  -5.154  10.877
  148    HA3  GLY  19           HA1      GLY  19  -9.176  -4.114  10.762
  149    H    GLU  20           HN       GLU  20 -10.983  -4.885   9.901
  150    HA   GLU  20           HA       GLU  20 -10.902  -7.605   8.845
  151    HB2  GLU  20           HB2      GLU  20 -13.154  -5.947   9.984
  152    HB3  GLU  20           HB1      GLU  20 -13.445  -7.419   9.080
  153    HG2  GLU  20           HG2      GLU  20 -13.577  -7.899  11.409
  154    HG3  GLU  20           HG1      GLU  20 -12.132  -8.659  10.760
  155    H    THR  21           HN       THR  21 -11.425  -7.994   6.768
  156    HA   THR  21           HA       THR  21 -12.160  -5.660   5.201
  157    HB   THR  21           HB       THR  21 -11.511  -7.111   3.214
  158    HG1  THR  21           HG1      THR  21 -10.898  -9.055   3.530
  159   HG21  THR  21          HG21      THR  21 -10.019  -5.394   4.091
  160   HG22  THR  21          HG22      THR  21  -9.094  -6.802   3.566
  161   HG23  THR  21          HG23      THR  21  -9.389  -6.532   5.283
  162    H    ASP  22           HN       ASP  22 -14.299  -5.821   6.074
  163    HA   ASP  22           HA       ASP  22 -15.893  -8.117   5.334
  164    HB2  ASP  22           HB2      ASP  22 -17.738  -7.110   6.516
  165    HB3  ASP  22           HB1      ASP  22 -16.303  -6.906   7.507
  166    H    GLY  23           HN       GLY  23 -15.422  -4.816   4.313
  167    HA2  GLY  23           HA2      GLY  23 -17.087  -5.426   1.953
  168    HA3  GLY  23           HA1      GLY  23 -17.091  -3.841   2.725
  169    H    THR  24           HN       THR  24 -14.428  -6.020   2.043
  170    HA   THR  24           HA       THR  24 -13.239  -3.928   0.365
  171    HB   THR  24           HB       THR  24 -11.667  -5.557   2.365
  172    HG1  THR  24           HG1      THR  24 -12.752  -2.922   2.747
  173   HG21  THR  24          HG21      THR  24 -10.422  -4.492   0.518
  174   HG22  THR  24          HG22      THR  24 -10.010  -3.781   2.077
  175   HG23  THR  24          HG23      THR  24 -11.098  -2.927   0.983
  176    H    ASP  25           HN       ASP  25 -13.893  -5.347  -1.432
  177    HA   ASP  25           HA       ASP  25 -12.815  -8.008  -1.589
  178    HB2  ASP  25           HB2      ASP  25 -13.986  -6.209  -3.723
  179    HB3  ASP  25           HB1      ASP  25 -13.279  -7.771  -4.106
  180    H    LEU  26           HN       LEU  26 -10.780  -7.999  -1.219
  181    HA   LEU  26           HA       LEU  26  -8.970  -6.384  -2.917
  182    HB2  LEU  26           HB2      LEU  26  -9.201  -5.852  -0.465
  183    HB3  LEU  26           HB1      LEU  26  -8.564  -7.441  -0.125
  184    HG   LEU  26           HG       LEU  26  -6.479  -6.749  -1.344
  185   HD11  LEU  26          HD11      LEU  26  -7.447  -4.925  -2.620
  186   HD12  LEU  26          HD12      LEU  26  -6.114  -4.358  -1.617
  187   HD13  LEU  26          HD13      LEU  26  -7.784  -4.047  -1.129
  188   HD21  LEU  26          HD21      LEU  26  -7.309  -5.180   1.080
  189   HD22  LEU  26          HD22      LEU  26  -5.642  -5.481   0.559
  190   HD23  LEU  26          HD23      LEU  26  -6.679  -6.825   1.062
  191    H    SER  27           HN       SER  27 -10.216  -9.286  -2.580
  192    HA   SER  27           HA       SER  27  -8.036 -11.035  -2.054
  193    HB2  SER  27           HB2      SER  27 -10.760 -11.717  -3.128
  194    HB3  SER  27           HB1      SER  27  -9.650 -12.773  -2.251
  195    HG   SER  27           HG       SER  27  -9.824 -11.074  -0.546
  196    H    GLY  28           HN       GLY  28  -8.349  -9.372  -4.765
  197    HA2  GLY  28           HA2      GLY  28  -7.136 -11.525  -6.319
  198    HA3  GLY  28           HA1      GLY  28  -8.645 -10.892  -6.942
  199    H    ASP  29           HN       ASP  29  -8.586  -9.209  -8.220
  200    HA   ASP  29           HA       ASP  29  -5.946  -8.271  -9.068
  201    HB2  ASP  29           HB2      ASP  29  -8.666  -8.077 -10.388
  202    HB3  ASP  29           HB1      ASP  29  -7.168  -7.485 -11.090
  203    H    PHE  30           HN       PHE  30  -6.339  -7.135  -6.862
  204    HA   PHE  30           HA       PHE  30  -8.025  -4.820  -6.849
  205    HB2  PHE  30           HB2      PHE  30  -7.136  -4.400  -4.632
  206    HB3  PHE  30           HB1      PHE  30  -7.563  -6.094  -4.801
  207    HD1  PHE  30           HD2      PHE  30  -5.692  -7.770  -5.179
  208    HD2  PHE  30           HD1      PHE  30  -4.953  -3.753  -3.995
  209    HE1  PHE  30           HE2      PHE  30  -3.440  -8.408  -4.428
  210    HE2  PHE  30           HE1      PHE  30  -2.697  -4.390  -3.241
  211    HZ   PHE  30           HZ       PHE  30  -1.961  -6.684  -3.376
  212    H    LEU  31           HN       LEU  31  -5.178  -5.336  -8.329
  213    HA   LEU  31           HA       LEU  31  -3.751  -2.936  -7.584
  214    HB2  LEU  31           HB2      LEU  31  -3.265  -4.739  -9.958
  215    HB3  LEU  31           HB1      LEU  31  -2.210  -3.481  -9.383
  216    HG   LEU  31           HG       LEU  31  -1.212  -5.469  -8.773
  217   HD11  LEU  31          HD11      LEU  31  -1.095  -3.874  -7.018
  218   HD12  LEU  31          HD12      LEU  31  -1.186  -5.502  -6.344
  219   HD13  LEU  31          HD13      LEU  31  -2.609  -4.462  -6.332
  220   HD21  LEU  31          HD21      LEU  31  -2.281  -7.329  -7.642
  221   HD22  LEU  31          HD22      LEU  31  -3.126  -6.933  -9.146
  222   HD23  LEU  31          HD23      LEU  31  -3.808  -6.447  -7.593
  223    H    ASP  32           HN       ASP  32  -6.167  -3.791  -9.837
  224    HA   ASP  32           HA       ASP  32  -5.400  -1.727 -11.755
  225    HB2  ASP  32           HB2      ASP  32  -5.954  -4.127 -12.369
  226    HB3  ASP  32           HB1      ASP  32  -7.627  -3.738 -11.997
  227    H    LEU  33           HN       LEU  33  -7.276  -1.847  -9.058
  228    HA   LEU  33           HA       LEU  33  -9.261  -0.050 -10.201
  229    HB2  LEU  33           HB2      LEU  33 -10.670  -0.652  -8.180
  230    HB3  LEU  33           HB1      LEU  33 -10.470  -1.868  -9.414
  231    HG   LEU  33           HG       LEU  33  -8.735  -2.953  -7.935
  232   HD11  LEU  33          HD11      LEU  33  -8.183  -1.085  -6.498
  233   HD12  LEU  33          HD12      LEU  33  -8.769  -2.455  -5.557
  234   HD13  LEU  33          HD13      LEU  33  -9.826  -1.073  -5.854
  235   HD21  LEU  33          HD21      LEU  33 -10.392  -3.985  -6.482
  236   HD22  LEU  33          HD22      LEU  33 -10.974  -3.806  -8.139
  237   HD23  LEU  33          HD23      LEU  33 -11.532  -2.702  -6.882
  238    H    ARG  34           HN       ARG  34 -10.286   1.276  -8.133
  239    HA   ARG  34           HA       ARG  34  -8.067   2.999  -7.323
  240    HB2  ARG  34           HB2      ARG  34 -11.074   3.308  -7.184
  241    HB3  ARG  34           HB1      ARG  34  -9.917   4.513  -6.647
  242    HG2  ARG  34           HG2      ARG  34 -10.119   3.510  -9.467
  243    HG3  ARG  34           HG1      ARG  34 -10.942   4.949  -8.857
  244    HD2  ARG  34           HD2      ARG  34  -7.974   4.495  -8.783
  245    HD3  ARG  34           HD1      ARG  34  -8.817   5.435 -10.011
  246    HE   ARG  34           HE       ARG  34  -9.521   6.410  -7.488
  247   HH11  ARG  34          HH11      ARG  34  -6.836   6.345  -9.747
  248   HH12  ARG  34          HH12      ARG  34  -6.065   7.737  -9.128
  249   HH21  ARG  34          HH21      ARG  34  -8.492   8.323  -6.600
  250   HH22  ARG  34          HH22      ARG  34  -7.027   8.887  -7.248
  251    H    PHE  35           HN       PHE  35  -8.072   3.704  -5.058
  252    HA   PHE  35           HA       PHE  35  -8.564   1.560  -3.263
  253    HB2  PHE  35           HB2      PHE  35  -7.903   4.466  -2.738
  254    HB3  PHE  35           HB1      PHE  35  -7.972   3.224  -1.490
  255    HD1  PHE  35           HD2      PHE  35  -6.338   1.319  -1.567
  256    HD2  PHE  35           HD1      PHE  35  -6.032   4.729  -4.098
  257    HE1  PHE  35           HE2      PHE  35  -4.002   0.763  -2.036
  258    HE2  PHE  35           HE1      PHE  35  -3.685   4.169  -4.564
  259    HZ   PHE  35           HZ       PHE  35  -2.666   2.156  -3.464
  260    H    GLU  36           HN       GLU  36 -10.260   4.305  -4.355
  261    HA   GLU  36           HA       GLU  36 -12.426   4.585  -2.705
  262    HB2  GLU  36           HB2      GLU  36 -11.991   5.968  -4.644
  263    HB3  GLU  36           HB1      GLU  36 -12.260   4.603  -5.713
  264    HG2  GLU  36           HG2      GLU  36 -14.595   4.540  -5.046
  265    HG3  GLU  36           HG1      GLU  36 -14.320   5.907  -3.962
  266    H    ASP  37           HN       ASP  37 -11.839   2.098  -5.191
  267    HA   ASP  37           HA       ASP  37 -14.416   0.937  -5.155
  268    HB2  ASP  37           HB2      ASP  37 -11.754  -0.235  -6.000
  269    HB3  ASP  37           HB1      ASP  37 -13.292  -1.059  -6.208
  270    H    ILE  38           HN       ILE  38 -11.557   0.420  -3.246
  271    HA   ILE  38           HA       ILE  38 -12.866  -1.812  -1.886
  272    HB   ILE  38           HB       ILE  38 -10.676  -2.250  -0.788
  273   HG12  ILE  38          HG12      ILE  38  -9.677  -0.064  -2.646
  274   HG13  ILE  38          HG11      ILE  38  -9.745   0.007  -0.890
  275   HG21  ILE  38          HG21      ILE  38 -10.659  -2.177  -3.783
  276   HG22  ILE  38          HG22      ILE  38 -11.322  -3.458  -2.755
  277   HG23  ILE  38          HG23      ILE  38  -9.577  -3.145  -2.771
  278   HD11  ILE  38          HD11      ILE  38  -8.083  -1.750  -0.740
  279   HD12  ILE  38          HD12      ILE  38  -7.488  -0.397  -1.702
  280   HD13  ILE  38          HD13      ILE  38  -8.037  -1.872  -2.498
  281    H    GLY  39           HN       GLY  39 -13.231   1.174  -1.602
  282    HA2  GLY  39           HA2      GLY  39 -13.876   2.634   0.067
  283    HA3  GLY  39           HA1      GLY  39 -14.089   1.212   1.071
  284    H    TYR  40           HN       TYR  40 -11.107   2.416  -0.349
  285    HA   TYR  40           HA       TYR  40  -9.997   2.655   2.358
  286    HB2  TYR  40           HB2      TYR  40  -9.204   1.050   0.235
  287    HB3  TYR  40           HB1      TYR  40  -8.094   2.412   0.174
  288    HD1  TYR  40           HD1      TYR  40  -6.662   2.911   2.141
  289    HD2  TYR  40           HD2      TYR  40  -9.093  -0.551   1.917
  290    HE1  TYR  40           HE1      TYR  40  -5.365   1.906   3.962
  291    HE2  TYR  40           HE2      TYR  40  -7.833  -1.584   3.734
  292    HH   TYR  40           HH       TYR  40  -5.545  -1.353   4.790
  293    H    ASP  41           HN       ASP  41  -9.123   4.583   2.869
  294    HA   ASP  41           HA       ASP  41  -8.958   6.562   0.730
  295    HB2  ASP  41           HB2      ASP  41  -9.663   6.874   3.617
  296    HB3  ASP  41           HB1      ASP  41  -8.916   8.219   2.764
  297    H    SER  42           HN       SER  42  -7.458   8.311   1.114
  298    HA   SER  42           HA       SER  42  -4.833   7.507   0.851
  299    HB2  SER  42           HB2      SER  42  -4.552  10.055   1.206
  300    HB3  SER  42           HB1      SER  42  -5.553   9.499  -0.149
  301    H    LEU  43           HN       LEU  43  -6.557   8.896   3.492
  302    HA   LEU  43           HA       LEU  43  -4.545   9.284   5.362
  303    HB2  LEU  43           HB2      LEU  43  -7.428   8.563   5.786
  304    HB3  LEU  43           HB1      LEU  43  -6.359   9.164   7.032
  305    HG   LEU  43           HG       LEU  43  -7.198  10.674   4.558
  306   HD11  LEU  43          HD11      LEU  43  -9.001  10.438   6.167
  307   HD12  LEU  43          HD12      LEU  43  -8.413  12.100   6.108
  308   HD13  LEU  43          HD13      LEU  43  -7.953  11.051   7.449
  309   HD21  LEU  43          HD21      LEU  43  -4.941  11.263   5.251
  310   HD22  LEU  43          HD22      LEU  43  -5.501  11.531   6.901
  311   HD23  LEU  43          HD23      LEU  43  -6.061  12.582   5.598
  312    H    ALA  44           HN       ALA  44  -6.482   6.355   4.760
  313    HA   ALA  44           HA       ALA  44  -5.250   4.916   6.918
  314    HB1  ALA  44           HB1      ALA  44  -6.521   3.002   6.101
  315    HB2  ALA  44           HB2      ALA  44  -6.957   3.905   4.649
  316    HB3  ALA  44           HB3      ALA  44  -7.549   4.432   6.226
  317    H    LEU  45           HN       LEU  45  -4.730   5.363   3.539
  318    HA   LEU  45           HA       LEU  45  -2.929   3.253   3.101
  319    HB2  LEU  45           HB2      LEU  45  -3.105   5.964   1.803
  320    HB3  LEU  45           HB1      LEU  45  -2.067   4.671   1.233
  321    HG   LEU  45           HG       LEU  45  -5.072   4.539   1.384
  322   HD11  LEU  45          HD11      LEU  45  -3.230   4.861  -0.973
  323   HD12  LEU  45          HD12      LEU  45  -4.302   6.101  -0.323
  324   HD13  LEU  45          HD13      LEU  45  -4.976   4.644  -1.048
  325   HD21  LEU  45          HD21      LEU  45  -4.788   2.469   0.117
  326   HD22  LEU  45          HD22      LEU  45  -3.998   2.379   1.691
  327   HD23  LEU  45          HD23      LEU  45  -3.037   2.638   0.236
  328    H    MET  46           HN       MET  46  -2.511   6.488   4.351
  329    HA   MET  46           HA       MET  46   0.305   6.476   4.604
  330    HB2  MET  46           HB2      MET  46  -1.765   7.840   6.321
  331    HB3  MET  46           HB1      MET  46  -0.040   8.116   6.455
  332    HG2  MET  46           HG2      MET  46  -0.004   8.997   4.180
  333    HG3  MET  46           HG1      MET  46  -1.735   8.680   4.051
  334    HE1  MET  46           HE1      MET  46  -2.010  11.232   3.334
  335    HE2  MET  46           HE2      MET  46  -0.289  11.519   3.592
  336    HE3  MET  46           HE3      MET  46  -1.484  12.585   4.333
  337    H    GLU  47           HN       GLU  47  -2.270   5.323   6.678
  338    HA   GLU  47           HA       GLU  47  -0.711   4.681   8.931
  339    HB2  GLU  47           HB2      GLU  47  -3.236   4.845   8.779
  340    HB3  GLU  47           HB1      GLU  47  -3.211   3.265   8.012
  341    HG2  GLU  47           HG2      GLU  47  -3.715   2.955  10.299
  342    HG3  GLU  47           HG1      GLU  47  -2.063   2.388  10.034
  343    H    THR  48           HN       THR  48  -1.818   2.821   6.175
  344    HA   THR  48           HA       THR  48  -0.644   0.344   6.700
  345    HB   THR  48           HB       THR  48  -1.018   1.661   3.983
  346    HG1  THR  48           HG1      THR  48  -3.005   1.674   5.250
  347   HG21  THR  48          HG21      THR  48   0.272  -0.447   3.922
  348   HG22  THR  48          HG22      THR  48  -1.312  -0.659   3.186
  349   HG23  THR  48          HG23      THR  48  -1.011  -1.259   4.812
  350    H    ALA  49           HN       ALA  49   0.565   3.060   4.713
  351    HA   ALA  49           HA       ALA  49   3.045   2.091   4.020
  352    HB1  ALA  49           HB1      ALA  49   2.020   4.095   3.054
  353    HB2  ALA  49           HB2      ALA  49   3.669   4.402   3.595
  354    HB3  ALA  49           HB3      ALA  49   2.304   4.959   4.564
  355    H    ALA  50           HN       ALA  50   2.254   4.146   6.833
  356    HA   ALA  50           HA       ALA  50   4.822   4.341   7.908
  357    HB1  ALA  50           HB1      ALA  50   2.212   4.307   9.409
  358    HB2  ALA  50           HB2      ALA  50   2.932   5.719   8.630
  359    HB3  ALA  50           HB3      ALA  50   3.744   4.951   9.996
  360    H    ARG  51           HN       ARG  51   2.418   1.841   8.269
  361    HA   ARG  51           HA       ARG  51   3.803   0.455  10.337
  362    HB2  ARG  51           HB2      ARG  51   1.391   0.229  10.033
  363    HB3  ARG  51           HB1      ARG  51   1.651  -0.481   8.445
  364    HG2  ARG  51           HG2      ARG  51   2.735  -2.386   9.435
  365    HG3  ARG  51           HG1      ARG  51   2.592  -1.662  11.039
  366    HD2  ARG  51           HD2      ARG  51   0.160  -1.699  10.829
  367    HD3  ARG  51           HD1      ARG  51   0.336  -2.423   9.224
  368    HE   ARG  51           HE       ARG  51   1.309  -4.324  10.230
  369   HH11  ARG  51          HH11      ARG  51  -0.688  -2.227  12.271
  370   HH12  ARG  51          HH12      ARG  51  -0.823  -3.322  13.562
  371   HH21  ARG  51          HH21      ARG  51   1.155  -5.864  12.013
  372   HH22  ARG  51          HH22      ARG  51   0.284  -5.443  13.425
  373    H    LEU  52           HN       LEU  52   3.505   0.116   6.850
  374    HA   LEU  52           HA       LEU  52   5.171  -2.142   6.686
  375    HB2  LEU  52           HB2      LEU  52   4.379  -0.149   4.580
  376    HB3  LEU  52           HB1      LEU  52   5.274  -1.624   4.250
  377    HG   LEU  52           HG       LEU  52   2.498  -1.472   5.416
  378   HD11  LEU  52          HD11      LEU  52   2.559  -0.896   3.062
  379   HD12  LEU  52          HD12      LEU  52   1.791  -2.464   3.315
  380   HD13  LEU  52          HD13      LEU  52   3.448  -2.378   2.713
  381   HD21  LEU  52          HD21      LEU  52   3.751  -3.364   6.305
  382   HD22  LEU  52          HD22      LEU  52   4.182  -3.860   4.670
  383   HD23  LEU  52          HD23      LEU  52   2.498  -3.912   5.190
  384    H    GLU  53           HN       GLU  53   5.880   1.274   6.745
  385    HA   GLU  53           HA       GLU  53   8.557   1.172   5.989
  386    HB2  GLU  53           HB2      GLU  53   7.240   2.857   8.126
  387    HB3  GLU  53           HB1      GLU  53   8.885   3.097   7.571
  388    HG2  GLU  53           HG2      GLU  53   8.041   3.606   5.339
  389    HG3  GLU  53           HG1      GLU  53   6.389   3.383   5.926
  390    H    SER  54           HN       SER  54   7.003   0.675   9.082
  391    HA   SER  54           HA       SER  54   9.301   0.125  10.610
  392    HB2  SER  54           HB2      SER  54   7.099   0.838  11.528
  393    HB3  SER  54           HB1      SER  54   6.414  -0.706  11.040
  394    HG   SER  54           HG       SER  54   8.499  -0.255  12.893
  395    H    ARG  55           HN       ARG  55   6.970  -1.930   8.944
  396    HA   ARG  55           HA       ARG  55   8.025  -4.383   9.812
  397    HB2  ARG  55           HB2      ARG  55   5.728  -4.194   9.083
  398    HB3  ARG  55           HB1      ARG  55   6.241  -3.738   7.466
  399    HG2  ARG  55           HG2      ARG  55   7.202  -5.947   7.141
  400    HG3  ARG  55           HG1      ARG  55   6.728  -6.398   8.778
  401    HD2  ARG  55           HD2      ARG  55   4.413  -6.284   8.224
  402    HD3  ARG  55           HD1      ARG  55   4.758  -5.518   6.669
  403    HE   ARG  55           HE       ARG  55   5.909  -8.135   7.160
  404   HH11  ARG  55          HH11      ARG  55   3.032  -6.551   5.801
  405   HH12  ARG  55          HH12      ARG  55   3.011  -7.522   4.395
  406   HH21  ARG  55          HH21      ARG  55   5.760  -9.547   5.306
  407   HH22  ARG  55          HH22      ARG  55   4.578  -9.264   4.111
  408    H    TYR  56           HN       TYR  56   8.538  -2.633   6.725
  409    HA   TYR  56           HA       TYR  56  10.423  -4.718   5.949
  410    HB2  TYR  56           HB2      TYR  56   8.914  -2.665   4.424
  411    HB3  TYR  56           HB1      TYR  56  10.392  -3.329   3.736
  412    HD1  TYR  56           HD1      TYR  56   6.992  -4.230   4.956
  413    HD2  TYR  56           HD2      TYR  56  10.452  -5.462   2.829
  414    HE1  TYR  56           HE1      TYR  56   5.791  -6.222   4.140
  415    HE2  TYR  56           HE2      TYR  56   9.274  -7.433   2.018
  416    HH   TYR  56           HH       TYR  56   5.877  -7.869   2.396
  417    H    GLY  57           HN       GLY  57  10.603  -1.670   7.339
  418    HA2  GLY  57           HA2      GLY  57  12.504  -0.505   7.936
  419    HA3  GLY  57           HA1      GLY  57  13.461  -1.645   6.996
  420    H    VAL  58           HN       VAL  58  10.744   0.375   5.984
  421    HA   VAL  58           HA       VAL  58  12.582   1.605   4.090
  422    HB   VAL  58           HB       VAL  58  10.785   1.884   2.431
  423   HG11  VAL  58          HG11      VAL  58  11.075  -0.928   3.381
  424   HG12  VAL  58          HG12      VAL  58  12.202  -0.076   2.316
  425   HG13  VAL  58          HG13      VAL  58  10.558  -0.449   1.765
  426   HG21  VAL  58          HG21      VAL  58   9.096   0.211   4.281
  427   HG22  VAL  58          HG22      VAL  58   8.658   0.735   2.656
  428   HG23  VAL  58          HG23      VAL  58   8.848   1.933   3.940
  429    H    SER  59           HN       SER  59  11.523   3.673   3.120
  430    HA   SER  59           HA       SER  59  10.531   5.307   5.351
  431    HB2  SER  59           HB2      SER  59  12.440   6.094   3.135
  432    HB3  SER  59           HB1      SER  59  11.928   7.100   4.494
  433    HG   SER  59           HG       SER  59  13.123   4.605   4.931
  434    H    ILE  60           HN       ILE  60   8.506   5.969   4.837
  435    HA   ILE  60           HA       ILE  60   7.950   6.673   2.045
  436    HB   ILE  60           HB       ILE  60   6.025   5.161   3.850
  437   HG12  ILE  60          HG12      ILE  60   7.397   4.246   1.299
  438   HG13  ILE  60          HG11      ILE  60   7.837   3.730   2.920
  439   HG21  ILE  60          HG21      ILE  60   5.701   6.112   0.999
  440   HG22  ILE  60          HG22      ILE  60   4.878   6.764   2.416
  441   HG23  ILE  60          HG23      ILE  60   4.546   5.116   1.886
  442   HD11  ILE  60          HD11      ILE  60   5.206   3.204   1.553
  443   HD12  ILE  60          HD12      ILE  60   5.643   2.683   3.179
  444   HD13  ILE  60          HD13      ILE  60   6.512   2.044   1.783
  445    HA   PRO  61           HA       PRO  61   6.766  10.383   4.332
  446    HB2  PRO  61           HB2      PRO  61   6.249  11.299   1.557
  447    HB3  PRO  61           HB1      PRO  61   7.239  12.050   2.816
  448    HG2  PRO  61           HG2      PRO  61   8.370  10.846   0.727
  449    HG3  PRO  61           HG1      PRO  61   9.075  10.719   2.350
  450    HD2  PRO  61           HD2      PRO  61   7.417   8.729   0.846
  451    HD3  PRO  61           HD1      PRO  61   8.866   8.464   1.839
  452    H    ASP  62           HN       ASP  62   4.817  11.040   4.909
  453    HA   ASP  62           HA       ASP  62   2.580   9.459   4.632
  454    HB2  ASP  62           HB2      ASP  62   2.708  12.377   5.390
  455    HB3  ASP  62           HB1      ASP  62   1.309  11.338   5.620
  456    H    ASP  63           HN       ASP  63   3.275  12.517   2.987
  457    HA   ASP  63           HA       ASP  63   0.772  12.780   1.751
  458    HB2  ASP  63           HB2      ASP  63   1.641  14.556   0.440
  459    HB3  ASP  63           HB1      ASP  63   2.545  14.608   1.939
  460    H    VAL  64           HN       VAL  64   3.540  10.971   0.796
  461    HA   VAL  64           HA       VAL  64   2.931  10.499  -1.933
  462    HB   VAL  64           HB       VAL  64   4.400   8.738   0.013
  463   HG11  VAL  64          HG11      VAL  64   5.546   7.874  -2.013
  464   HG12  VAL  64          HG12      VAL  64   4.519   8.900  -3.014
  465   HG13  VAL  64          HG13      VAL  64   3.808   7.584  -2.077
  466   HG21  VAL  64          HG21      VAL  64   5.426  10.908  -1.796
  467   HG22  VAL  64          HG22      VAL  64   6.430   9.823  -0.832
  468   HG23  VAL  64          HG23      VAL  64   5.338  10.958  -0.037
  469    H    ALA  65           HN       ALA  65   2.089   8.815   1.036
  470    HA   ALA  65           HA       ALA  65   0.862   6.585  -0.185
  471    HB1  ALA  65           HB1      ALA  65  -0.078   6.129   2.016
  472    HB2  ALA  65           HB2      ALA  65   0.373   7.747   2.553
  473    HB3  ALA  65           HB3      ALA  65   1.623   6.575   2.143
  474    H    GLY  66           HN       GLY  66  -0.163   9.809   0.267
  475    HA2  GLY  66           HA2      GLY  66  -2.955   9.089  -0.292
  476    HA3  GLY  66           HA1      GLY  66  -2.395  10.663   0.265
  477    H    ARG  67           HN       ARG  67  -0.420   9.292  -2.098
  478    HA   ARG  67           HA       ARG  67  -1.607  10.988  -4.203
  479    HB2  ARG  67           HB2      ARG  67   1.206  10.379  -3.456
  480    HB3  ARG  67           HB1      ARG  67   0.811  10.916  -5.080
  481    HG2  ARG  67           HG2      ARG  67   0.032  13.002  -4.278
  482    HG3  ARG  67           HG1      ARG  67  -0.025  12.419  -2.615
  483    HD2  ARG  67           HD2      ARG  67   1.865  13.905  -3.026
  484    HD3  ARG  67           HD1      ARG  67   2.378  12.303  -2.529
  485    HE   ARG  67           HE       ARG  67   2.363  12.372  -5.314
  486   HH11  ARG  67          HH11      ARG  67   4.093  13.883  -2.600
  487   HH12  ARG  67          HH12      ARG  67   5.510  14.163  -3.487
  488   HH21  ARG  67          HH21      ARG  67   4.330  12.711  -6.521
  489   HH22  ARG  67          HH22      ARG  67   5.653  13.499  -5.784
  490    H    VAL  68           HN       VAL  68  -0.989   7.847  -3.316
  491    HA   VAL  68           HA       VAL  68  -0.281   6.861  -5.904
  492    HB   VAL  68           HB       VAL  68  -0.611   4.578  -4.863
  493   HG11  VAL  68          HG11      VAL  68   1.181   6.494  -3.377
  494   HG12  VAL  68          HG12      VAL  68   1.565   5.655  -4.879
  495   HG13  VAL  68          HG13      VAL  68   1.343   4.737  -3.390
  496   HG21  VAL  68          HG21      VAL  68  -0.892   4.427  -2.428
  497   HG22  VAL  68          HG22      VAL  68  -2.297   5.185  -3.178
  498   HG23  VAL  68          HG23      VAL  68  -1.104   6.177  -2.339
  499    H    ASP  69           HN       ASP  69  -1.586   6.737  -7.473
  500    HA   ASP  69           HA       ASP  69  -4.391   7.055  -7.265
  501    HB2  ASP  69           HB2      ASP  69  -2.580   6.361  -9.541
  502    HB3  ASP  69           HB1      ASP  69  -4.314   6.165  -9.738
  503    H    THR  70           HN       THR  70  -2.574   4.159  -8.198
  504    HA   THR  70           HA       THR  70  -4.947   2.604  -7.457
  505    HB   THR  70           HB       THR  70  -3.977   0.885  -9.037
  506    HG1  THR  70           HG1      THR  70  -2.597   2.669 -10.541
  507   HG21  THR  70          HG21      THR  70  -4.789   2.003 -11.081
  508   HG22  THR  70          HG22      THR  70  -4.733   3.555 -10.242
  509   HG23  THR  70          HG23      THR  70  -5.862   2.309  -9.714
  510    HA   PRO  71           HA       PRO  71  -2.418   0.375  -4.480
  511    HB2  PRO  71           HB2      PRO  71  -3.558  -2.102  -5.703
  512    HB3  PRO  71           HB1      PRO  71  -3.514  -1.608  -4.002
  513    HG2  PRO  71           HG2      PRO  71  -5.779  -1.414  -5.312
  514    HG3  PRO  71           HG1      PRO  71  -5.256  -0.069  -4.274
  515    HD2  PRO  71           HD2      PRO  71  -5.055  -0.340  -7.257
  516    HD3  PRO  71           HD1      PRO  71  -5.619   1.047  -6.294
  517    H    ARG  72           HN       ARG  72  -2.384  -0.360  -7.857
  518    HA   ARG  72           HA       ARG  72  -0.065  -1.989  -7.939
  519    HB2  ARG  72           HB2      ARG  72  -1.630  -1.800  -9.820
  520    HB3  ARG  72           HB1      ARG  72  -1.222  -0.101  -9.997
  521    HG2  ARG  72           HG2      ARG  72   1.065  -0.718 -10.608
  522    HG3  ARG  72           HG1      ARG  72   0.647  -2.425 -10.428
  523    HD2  ARG  72           HD2      ARG  72  -0.627  -0.486 -12.349
  524    HD3  ARG  72           HD1      ARG  72   0.568  -1.716 -12.765
  525    HE   ARG  72           HE       ARG  72  -1.115  -3.337 -11.887
  526   HH11  ARG  72          HH11      ARG  72  -2.094  -0.240 -13.340
  527   HH12  ARG  72          HH12      ARG  72  -3.592  -0.798 -13.904
  528   HH21  ARG  72          HH21      ARG  72  -3.215  -4.124 -12.662
  529   HH22  ARG  72          HH22      ARG  72  -4.240  -3.068 -13.531
  530    H    GLU  73           HN       GLU  73  -0.670   1.466  -7.964
  531    HA   GLU  73           HA       GLU  73   2.060   2.197  -8.372
  532    HB2  GLU  73           HB2      GLU  73   0.202   3.590  -9.154
  533    HB3  GLU  73           HB1      GLU  73  -0.339   3.812  -7.501
  534    HG2  GLU  73           HG2      GLU  73   1.507   5.201  -6.986
  535    HG3  GLU  73           HG1      GLU  73   2.356   4.719  -8.471
  536    H    LEU  74           HN       LEU  74  -0.031   1.648  -5.670
  537    HA   LEU  74           HA       LEU  74   1.724   2.650  -3.654
  538    HB2  LEU  74           HB2      LEU  74  -0.771   2.170  -3.416
  539    HB3  LEU  74           HB1      LEU  74  -0.387   0.471  -3.403
  540    HG   LEU  74           HG       LEU  74  -0.946   1.446  -1.179
  541   HD11  LEU  74          HD11      LEU  74   0.334  -0.601  -1.254
  542   HD12  LEU  74          HD12      LEU  74   0.840   0.407   0.102
  543   HD13  LEU  74          HD13      LEU  74   1.836   0.320  -1.355
  544   HD21  LEU  74          HD21      LEU  74   0.055   3.629  -1.424
  545   HD22  LEU  74          HD22      LEU  74   1.667   2.911  -1.479
  546   HD23  LEU  74          HD23      LEU  74   0.702   2.808  -0.004
  547    H    LEU  75           HN       LEU  75   1.164  -0.531  -5.109
  548    HA   LEU  75           HA       LEU  75   3.113  -2.081  -3.858
  549    HB2  LEU  75           HB2      LEU  75   1.386  -2.931  -5.414
  550    HB3  LEU  75           HB1      LEU  75   2.172  -2.107  -6.738
  551    HG   LEU  75           HG       LEU  75   4.151  -3.606  -6.404
  552   HD11  LEU  75          HD11      LEU  75   3.769  -4.222  -4.092
  553   HD12  LEU  75          HD12      LEU  75   3.838  -5.653  -5.118
  554   HD13  LEU  75          HD13      LEU  75   2.282  -5.053  -4.541
  555   HD21  LEU  75          HD21      LEU  75   3.098  -5.548  -7.457
  556   HD22  LEU  75          HD22      LEU  75   2.495  -4.038  -8.138
  557   HD23  LEU  75          HD23      LEU  75   1.511  -4.942  -6.988
  558    H    ASP  76           HN       ASP  76   3.254  -0.246  -6.850
  559    HA   ASP  76           HA       ASP  76   5.829  -0.368  -7.740
  560    HB2  ASP  76           HB2      ASP  76   4.023   0.805  -8.868
  561    HB3  ASP  76           HB1      ASP  76   3.967   2.006  -7.597
  562    H    LEU  77           HN       LEU  77   4.535   1.973  -5.444
  563    HA   LEU  77           HA       LEU  77   6.764   3.485  -4.857
  564    HB2  LEU  77           HB2      LEU  77   4.559   4.117  -4.163
  565    HB3  LEU  77           HB1      LEU  77   4.415   2.697  -3.152
  566    HG   LEU  77           HG       LEU  77   6.198   3.603  -1.690
  567   HD11  LEU  77          HD11      LEU  77   7.343   5.006  -3.295
  568   HD12  LEU  77          HD12      LEU  77   6.833   5.945  -1.894
  569   HD13  LEU  77          HD13      LEU  77   5.934   6.060  -3.406
  570   HD21  LEU  77          HD21      LEU  77   4.797   5.320  -0.650
  571   HD22  LEU  77          HD22      LEU  77   3.852   3.913  -1.139
  572   HD23  LEU  77          HD23      LEU  77   3.805   5.387  -2.107
  573    H    ILE  78           HN       ILE  78   5.537   0.694  -3.055
  574    HA   ILE  78           HA       ILE  78   7.759   0.731  -1.287
  575    HB   ILE  78           HB       ILE  78   5.662  -1.435  -1.660
  576   HG12  ILE  78          HG12      ILE  78   5.875   0.895   0.258
  577   HG13  ILE  78          HG11      ILE  78   4.706   0.714  -1.040
  578   HG21  ILE  78          HG21      ILE  78   6.346  -2.191   0.585
  579   HG22  ILE  78          HG22      ILE  78   7.615  -0.966   0.613
  580   HG23  ILE  78          HG23      ILE  78   7.694  -2.288  -0.549
  581   HD11  ILE  78          HD11      ILE  78   3.690   0.261   1.087
  582   HD12  ILE  78          HD12      ILE  78   4.917  -0.943   1.447
  583   HD13  ILE  78          HD13      ILE  78   3.757  -1.231   0.139
  584    H    ASN  79           HN       ASN  79   6.935  -1.173  -4.143
  585    HA   ASN  79           HA       ASN  79   9.033  -3.036  -4.007
  586    HB2  ASN  79           HB2      ASN  79   7.442  -1.930  -6.292
  587    HB3  ASN  79           HB1      ASN  79   8.862  -2.899  -6.638
  588   HD21  ASN  79          HD21      ASN  79   6.796  -3.530  -3.851
  589   HD22  ASN  79          HD22      ASN  79   6.160  -5.011  -4.484
  590    H    GLY  80           HN       GLY  80   8.965   0.212  -5.339
  591    HA2  GLY  80           HA2      GLY  80  11.596   0.205  -6.359
  592    HA3  GLY  80           HA1      GLY  80  10.665   1.636  -5.926
  593    H    ALA  81           HN       ALA  81  10.272   1.266  -3.258
  594    HA   ALA  81           HA       ALA  81  12.689   2.213  -2.171
  595    HB1  ALA  81           HB1      ALA  81  10.487   2.862  -1.305
  596    HB2  ALA  81           HB2      ALA  81  11.523   2.225  -0.029
  597    HB3  ALA  81           HB3      ALA  81  10.242   1.221  -0.709
  598    H    LEU  82           HN       LEU  82  11.185  -0.941  -2.166
  599    HA   LEU  82           HA       LEU  82  12.835  -2.139  -0.217
  600    HB2  LEU  82           HB2      LEU  82  11.221  -3.380  -2.427
  601    HB3  LEU  82           HB1      LEU  82  12.057  -4.300  -1.196
  602    HG   LEU  82           HG       LEU  82   9.810  -2.352  -0.718
  603   HD11  LEU  82          HD11      LEU  82   8.530  -4.346  -0.144
  604   HD12  LEU  82          HD12      LEU  82   9.905  -5.358  -0.592
  605   HD13  LEU  82          HD13      LEU  82   9.084  -4.389  -1.819
  606   HD21  LEU  82          HD21      LEU  82  11.282  -4.175   1.168
  607   HD22  LEU  82          HD22      LEU  82   9.866  -3.199   1.564
  608   HD23  LEU  82          HD23      LEU  82  11.387  -2.417   1.132
  609    H    ALA  83           HN       ALA  83  13.507  -1.251  -3.429
  610    HA   ALA  83           HA       ALA  83  15.514  -3.265  -3.820
  611    HB1  ALA  83           HB1      ALA  83  16.126  -2.001  -5.821
  612    HB2  ALA  83           HB2      ALA  83  15.061  -0.686  -5.321
  613    HB3  ALA  83           HB3      ALA  83  14.382  -2.257  -5.747
  614    H    GLU  84           HN       GLU  84  15.365   0.045  -2.688
  615    HA   GLU  84           HA       GLU  84  18.212   0.235  -2.284
  616    HB2  GLU  84           HB2      GLU  84  15.888   1.952  -1.477
  617    HB3  GLU  84           HB1      GLU  84  17.449   2.190  -0.723
  618    HG2  GLU  84           HG2      GLU  84  17.114   3.760  -2.513
  619    HG3  GLU  84           HG1      GLU  84  18.427   2.657  -2.902
  620    H    ALA  85           HN       ALA  85  15.377  -0.301  -0.289
  621    HA   ALA  85           HA       ALA  85  16.936  -0.725   2.108
  622    HB1  ALA  85           HB1      ALA  85  14.789   0.442   2.192
  623    HB2  ALA  85           HB2      ALA  85  14.753  -1.028   3.167
  624    HB3  ALA  85           HB3      ALA  85  13.977  -0.999   1.583
  625    H    ALA  86           HN       ALA  86  17.562  -2.524   0.064
  626    HA   ALA  86           HA       ALA  86  16.299  -5.037   0.796
  627    HB1  ALA  86           HB1      ALA  86  18.377  -4.409  -1.312
  628    HB2  ALA  86           HB2      ALA  86  16.646  -4.595  -1.595
  629    HB3  ALA  86           HB3      ALA  86  17.605  -5.977  -1.065
  630    H28  SXV  87          H28A      SXV  87  -5.320  14.041   0.588
  631   H28A  SXV  87          H28B      SXV  87  -5.987  14.303   2.200
  632    H30  SXV  87          H30C      SXV  87  -2.880  14.068   4.063
  633   H30A  SXV  87          H30A      SXV  87  -4.042  12.771   3.780
  634   H30B  SXV  87          H30B      SXV  87  -4.609  14.403   4.136
  635    H31  SXV  87          H31C      SXV  87  -2.839  13.549   0.353
  636   H31A  SXV  87          H31A      SXV  87  -2.966  12.276   1.570
  637   H31B  SXV  87          H31B      SXV  87  -1.801  13.585   1.778
  638    H32  SXV  87          H32A      SXV  87  -4.212  16.253   2.616
  639   HO33  SXV  87          H33A      SXV  87  -3.377  15.603  -0.033
  640   HN36  SXV  87          H36A      SXV  87  -2.230  17.276   0.732
  641    H37  SXV  87          H37B      SXV  87   0.398  16.770   1.884
  642   H37A  SXV  87          H37A      SXV  87  -0.254  18.374   2.196
  643    H38  SXV  87          H38B      SXV  87  -0.382  18.793  -0.204
  644   H38A  SXV  87          H38A      SXV  87   0.130  17.128  -0.517
  645   HN41  SXV  87          H41A      SXV  87   1.567  18.355  -1.855
  646    H42  SXV  87          H42B      SXV  87   4.182  18.717  -0.595
  647   H42A  SXV  87          H42A      SXV  87   3.518  19.961  -1.674
  648    H43  SXV  87          H43B      SXV  87   4.125  17.109  -2.431
  649   H43A  SXV  87          H43A      SXV  87   3.226  18.268  -3.416
  650    H1   SXV  87           H1B      SXV  87   7.653  18.970  -2.319
  651    H1A  SXV  87           H1A      SXV  87   6.341  19.024  -1.130
  652    H2   SXV  87           H2A      SXV  87   6.021  16.660  -1.188
  653    H2A  SXV  87           H2B      SXV  87   7.692  17.053  -0.865
  654    H4   SXV  87           H4C      SXV  87   9.307  16.026  -3.676
  655    H4A  SXV  87           H4A      SXV  87   8.738  17.678  -3.416
  656    H4B  SXV  87           H4B      SXV  87   8.044  16.700  -4.715
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  18.359 -11.863  -4.925
    2    H2   MET   1           HT2      MET   1  19.024 -10.691  -5.944
    3    H3   MET   1           HT3      MET   1  18.329 -12.108  -6.607
    4    HA   MET   1           HA       MET   1  16.914 -10.183  -6.888
    5    HB2  MET   1           HB2      MET   1  14.865 -11.097  -5.969
    6    HB3  MET   1           HB1      MET   1  15.864 -12.428  -6.533
    7    HG2  MET   1           HG2      MET   1  16.498 -12.983  -4.281
    8    HG3  MET   1           HG1      MET   1  15.703 -11.548  -3.653
    9    HE1  MET   1           HE1      MET   1  14.325 -13.891  -6.484
   10    HE2  MET   1           HE2      MET   1  13.414 -15.078  -5.548
   11    HE3  MET   1           HE3      MET   1  15.172 -15.016  -5.422
   12    H    ALA   2           HN       ALA   2  15.375  -8.784  -5.754
   13    HA   ALA   2           HA       ALA   2  16.472  -7.721  -3.261
   14    HB1  ALA   2           HB1      ALA   2  16.045  -6.128  -5.078
   15    HB2  ALA   2           HB2      ALA   2  14.942  -5.830  -3.734
   16    HB3  ALA   2           HB3      ALA   2  14.369  -6.672  -5.177
   17    H    THR   3           HN       THR   3  14.866  -7.302  -1.515
   18    HA   THR   3           HA       THR   3  12.928  -9.451  -1.415
   19    HB   THR   3           HB       THR   3  14.211  -9.045   0.635
   20    HG1  THR   3           HG1      THR   3  12.083  -9.692   0.890
   21   HG21  THR   3          HG21      THR   3  13.047  -6.248   0.685
   22   HG22  THR   3          HG22      THR   3  14.733  -6.665   0.390
   23   HG23  THR   3          HG23      THR   3  14.015  -6.975   1.970
   24    H    LEU   4           HN       LEU   4  11.137  -9.111  -2.533
   25    HA   LEU   4           HA       LEU   4   9.939  -6.429  -2.473
   26    HB2  LEU   4           HB2      LEU   4   9.897  -8.418  -4.746
   27    HB3  LEU   4           HB1      LEU   4   9.128  -6.846  -4.735
   28    HG   LEU   4           HG       LEU   4  12.106  -7.341  -4.676
   29   HD11  LEU   4          HD11      LEU   4  12.079  -6.428  -6.937
   30   HD12  LEU   4          HD12      LEU   4  10.319  -6.337  -6.880
   31   HD13  LEU   4          HD13      LEU   4  11.124  -7.906  -6.819
   32   HD21  LEU   4          HD21      LEU   4  11.498  -5.294  -3.492
   33   HD22  LEU   4          HD22      LEU   4  10.547  -4.760  -4.877
   34   HD23  LEU   4          HD23      LEU   4  12.299  -4.921  -5.019
   35    H    LEU   5           HN       LEU   5   8.003  -6.447  -1.571
   36    HA   LEU   5           HA       LEU   5   6.738  -8.927  -0.984
   37    HB2  LEU   5           HB2      LEU   5   5.021  -7.737   0.138
   38    HB3  LEU   5           HB1      LEU   5   6.510  -6.907   0.503
   39    HG   LEU   5           HG       LEU   5   4.535  -5.924  -1.568
   40   HD11  LEU   5          HD11      LEU   5   3.461  -6.108   0.606
   41   HD12  LEU   5          HD12      LEU   5   3.704  -4.415   0.153
   42   HD13  LEU   5          HD13      LEU   5   4.769  -5.178   1.335
   43   HD21  LEU   5          HD21      LEU   5   5.610  -3.750  -1.098
   44   HD22  LEU   5          HD22      LEU   5   6.709  -4.913  -1.809
   45   HD23  LEU   5          HD23      LEU   5   6.787  -4.573  -0.073
   46    H    THR   6           HN       THR   6   5.102  -9.911  -1.987
   47    HA   THR   6           HA       THR   6   4.548  -8.995  -4.644
   48    HB   THR   6           HB       THR   6   3.327 -11.210  -4.786
   49    HG1  THR   6           HG1      THR   6   3.594 -12.640  -3.116
   50   HG21  THR   6          HG21      THR   6   5.410 -12.524  -4.855
   51   HG22  THR   6          HG22      THR   6   6.237 -11.251  -3.956
   52   HG23  THR   6          HG23      THR   6   5.634 -10.933  -5.582
   53    H    THR   7           HN       THR   7   1.981  -9.860  -5.157
   54    HA   THR   7           HA       THR   7   0.497  -7.770  -3.999
   55    HB   THR   7           HB       THR   7  -1.427  -8.923  -5.259
   56    HG1  THR   7           HG1      THR   7  -0.925 -10.579  -6.509
   57   HG21  THR   7          HG21      THR   7   1.041  -8.029  -6.769
   58   HG22  THR   7          HG22      THR   7  -0.219  -6.971  -6.130
   59   HG23  THR   7          HG23      THR   7  -0.595  -8.108  -7.425
   60    H    ASP   8           HN       ASP   8   0.957 -11.083  -3.194
   61    HA   ASP   8           HA       ASP   8  -1.380 -11.438  -1.595
   62    HB2  ASP   8           HB2      ASP   8   1.319 -12.806  -1.353
   63    HB3  ASP   8           HB1      ASP   8  -0.129 -13.288  -0.483
   64    H    ASP   9           HN       ASP   9   1.808 -10.167  -1.045
   65    HA   ASP   9           HA       ASP   9   1.330  -9.894   1.782
   66    HB2  ASP   9           HB2      ASP   9   3.619 -10.364   0.750
   67    HB3  ASP   9           HB1      ASP   9   3.620  -8.676   0.259
   68    H    LEU  10           HN       LEU  10   1.280  -7.873  -1.076
   69    HA   LEU  10           HA       LEU  10   0.850  -5.386   0.187
   70    HB2  LEU  10           HB2      LEU  10   1.315  -5.619  -2.229
   71    HB3  LEU  10           HB1      LEU  10  -0.239  -6.399  -2.451
   72    HG   LEU  10           HG       LEU  10  -1.353  -4.290  -1.753
   73   HD11  LEU  10          HD11      LEU  10   0.421  -3.330  -0.413
   74   HD12  LEU  10          HD12      LEU  10  -0.062  -2.219  -1.696
   75   HD13  LEU  10          HD13      LEU  10   1.430  -3.144  -1.847
   76   HD21  LEU  10          HD21      LEU  10  -1.061  -4.812  -4.111
   77   HD22  LEU  10          HD22      LEU  10   0.534  -4.051  -4.094
   78   HD23  LEU  10          HD23      LEU  10  -0.912  -3.077  -3.833
   79    H    ARG  11           HN       ARG  11  -1.291  -7.985  -0.762
   80    HA   ARG  11           HA       ARG  11  -3.772  -6.947  -0.035
   81    HB2  ARG  11           HB2      ARG  11  -3.385  -9.050  -1.282
   82    HB3  ARG  11           HB1      ARG  11  -2.718  -9.777   0.165
   83    HG2  ARG  11           HG2      ARG  11  -4.908  -9.617   1.241
   84    HG3  ARG  11           HG1      ARG  11  -5.568  -8.900  -0.239
   85    HD2  ARG  11           HD2      ARG  11  -4.927 -10.914  -1.487
   86    HD3  ARG  11           HD1      ARG  11  -4.291 -11.624  -0.005
   87    HE   ARG  11           HE       ARG  11  -6.894 -10.986   0.539
   88   HH11  ARG  11          HH11      ARG  11  -5.255 -13.127  -1.813
   89   HH12  ARG  11          HH12      ARG  11  -6.582 -14.191  -1.928
   90   HH21  ARG  11          HH21      ARG  11  -8.693 -12.462   0.303
   91   HH22  ARG  11          HH22      ARG  11  -8.562 -13.827  -0.657
   92    H    ARG  12           HN       ARG  12  -1.377  -8.758   1.833
   93    HA   ARG  12           HA       ARG  12  -2.624  -8.830   4.334
   94    HB2  ARG  12           HB2      ARG  12   0.334  -8.597   3.756
   95    HB3  ARG  12           HB1      ARG  12  -0.358  -9.043   5.304
   96    HG2  ARG  12           HG2      ARG  12  -1.235 -11.089   4.353
   97    HG3  ARG  12           HG1      ARG  12  -0.652 -10.614   2.754
   98    HD2  ARG  12           HD2      ARG  12   1.652 -10.581   3.627
   99    HD3  ARG  12           HD1      ARG  12   1.045 -11.108   5.192
  100    HE   ARG  12           HE       ARG  12   0.151 -13.071   3.742
  101   HH11  ARG  12          HH11      ARG  12   3.310 -11.437   3.334
  102   HH12  ARG  12          HH12      ARG  12   4.128 -12.843   2.853
  103   HH21  ARG  12          HH21      ARG  12   1.310 -15.018   3.005
  104   HH22  ARG  12          HH22      ARG  12   2.982 -14.936   2.731
  105    H    ALA  13           HN       ALA  13  -0.562  -6.330   2.915
  106    HA   ALA  13           HA       ALA  13  -0.289  -4.687   5.163
  107    HB1  ALA  13           HB1      ALA  13   1.066  -4.459   3.135
  108    HB2  ALA  13           HB2      ALA  13   0.349  -2.933   3.649
  109    HB3  ALA  13           HB3      ALA  13  -0.341  -3.811   2.281
  110    H    LEU  14           HN       LEU  14  -2.797  -4.749   2.700
  111    HA   LEU  14           HA       LEU  14  -4.206  -2.524   3.719
  112    HB2  LEU  14           HB2      LEU  14  -4.880  -4.746   1.844
  113    HB3  LEU  14           HB1      LEU  14  -6.208  -3.841   2.537
  114    HG   LEU  14           HG       LEU  14  -5.323  -1.770   1.562
  115   HD11  LEU  14          HD11      LEU  14  -2.960  -2.273   1.526
  116   HD12  LEU  14          HD12      LEU  14  -3.543  -1.779  -0.059
  117   HD13  LEU  14          HD13      LEU  14  -3.218  -3.488   0.268
  118   HD21  LEU  14          HD21      LEU  14  -5.794  -2.283  -0.784
  119   HD22  LEU  14          HD22      LEU  14  -6.947  -3.037   0.314
  120   HD23  LEU  14          HD23      LEU  14  -5.668  -4.006  -0.421
  121    H    VAL  15           HN       VAL  15  -4.343  -5.948   4.391
  122    HA   VAL  15           HA       VAL  15  -6.533  -5.966   6.172
  123    HB   VAL  15           HB       VAL  15  -4.092  -7.761   6.322
  124   HG11  VAL  15          HG11      VAL  15  -5.623  -9.419   7.280
  125   HG12  VAL  15          HG12      VAL  15  -6.930  -8.236   7.223
  126   HG13  VAL  15          HG13      VAL  15  -5.536  -7.958   8.266
  127   HG21  VAL  15          HG21      VAL  15  -5.308  -9.303   4.863
  128   HG22  VAL  15          HG22      VAL  15  -4.963  -7.767   4.068
  129   HG23  VAL  15          HG23      VAL  15  -6.585  -8.102   4.674
  130    H    GLU  16           HN       GLU  16  -3.150  -5.230   6.600
  131    HA   GLU  16           HA       GLU  16  -2.971  -5.145   9.391
  132    HB2  GLU  16           HB2      GLU  16  -1.510  -3.446   7.388
  133    HB3  GLU  16           HB1      GLU  16  -1.064  -3.648   9.075
  134    HG2  GLU  16           HG2      GLU  16  -1.079  -5.765   6.944
  135    HG3  GLU  16           HG1      GLU  16   0.308  -4.973   7.698
  136    H    SER  17           HN       SER  17  -4.273  -2.874   7.106
  137    HA   SER  17           HA       SER  17  -4.488  -0.844   9.177
  138    HB2  SER  17           HB2      SER  17  -3.561  -0.238   6.921
  139    HB3  SER  17           HB1      SER  17  -5.144  -0.570   6.229
  140    HG   SER  17           HG       SER  17  -4.759   1.179   8.375
  141    H    ALA  18           HN       ALA  18  -6.496  -2.875   7.101
  142    HA   ALA  18           HA       ALA  18  -8.936  -1.612   7.930
  143    HB1  ALA  18           HB1      ALA  18 -10.059  -3.288   6.588
  144    HB2  ALA  18           HB2      ALA  18  -8.557  -4.199   6.433
  145    HB3  ALA  18           HB3      ALA  18  -8.700  -2.601   5.698
  146    H    GLY  19           HN       GLY  19  -7.188  -4.545   8.864
  147    HA2  GLY  19           HA2      GLY  19  -7.361  -5.565  10.963
  148    HA3  GLY  19           HA1      GLY  19  -8.927  -4.788  11.201
  149    H    GLU  20           HN       GLU  20  -9.727  -5.621   8.493
  150    HA   GLU  20           HA       GLU  20 -10.080  -8.503   8.797
  151    HB2  GLU  20           HB2      GLU  20 -11.998  -7.421   9.903
  152    HB3  GLU  20           HB1      GLU  20 -12.280  -6.446   8.472
  153    HG2  GLU  20           HG2      GLU  20 -12.585  -8.674   7.250
  154    HG3  GLU  20           HG1      GLU  20 -12.715  -9.379   8.862
  155    H    THR  21           HN       THR  21 -10.380  -9.463   6.777
  156    HA   THR  21           HA       THR  21 -10.727  -7.703   4.521
  157    HB   THR  21           HB       THR  21  -8.354  -8.129   4.636
  158    HG1  THR  21           HG1      THR  21  -9.521  -8.100   2.584
  159   HG21  THR  21          HG21      THR  21  -7.373 -10.391   4.262
  160   HG22  THR  21          HG22      THR  21  -8.993 -11.081   4.387
  161   HG23  THR  21          HG23      THR  21  -8.267 -10.281   5.781
  162    H    ASP  22           HN       ASP  22 -12.785  -8.393   4.935
  163    HA   ASP  22           HA       ASP  22 -13.389 -10.921   3.550
  164    HB2  ASP  22           HB2      ASP  22 -13.682 -11.305   5.986
  165    HB3  ASP  22           HB1      ASP  22 -14.893 -10.023   6.016
  166    H    GLY  23           HN       GLY  23 -14.935  -8.034   4.915
  167    HA2  GLY  23           HA2      GLY  23 -16.866  -7.860   2.810
  168    HA3  GLY  23           HA1      GLY  23 -16.467  -6.600   3.989
  169    H    THR  24           HN       THR  24 -13.733  -6.613   3.538
  170    HA   THR  24           HA       THR  24 -13.475  -5.622   0.803
  171    HB   THR  24           HB       THR  24 -11.918  -4.750   3.272
  172    HG1  THR  24           HG1      THR  24 -13.829  -3.269   1.791
  173   HG21  THR  24          HG21      THR  24 -10.647  -4.481   1.184
  174   HG22  THR  24          HG22      THR  24 -11.162  -2.904   1.800
  175   HG23  THR  24          HG23      THR  24 -12.018  -3.644   0.452
  176    H    ASP  25           HN       ASP  25 -13.109  -7.977   0.424
  177    HA   ASP  25           HA       ASP  25 -10.471  -8.860   1.284
  178    HB2  ASP  25           HB2      ASP  25 -12.255 -10.515   1.570
  179    HB3  ASP  25           HB1      ASP  25 -12.662 -10.396  -0.142
  180    H    LEU  26           HN       LEU  26  -8.912  -9.392  -0.175
  181    HA   LEU  26           HA       LEU  26  -9.211  -7.867  -2.666
  182    HB2  LEU  26           HB2      LEU  26  -6.700  -8.511  -1.119
  183    HB3  LEU  26           HB1      LEU  26  -6.722  -7.695  -2.662
  184    HG   LEU  26           HG       LEU  26  -6.383  -6.023  -1.092
  185   HD11  LEU  26          HD11      LEU  26  -7.967  -5.343  -2.724
  186   HD12  LEU  26          HD12      LEU  26  -8.349  -4.588  -1.175
  187   HD13  LEU  26          HD13      LEU  26  -9.300  -5.958  -1.748
  188   HD21  LEU  26          HD21      LEU  26  -7.747  -5.650   0.923
  189   HD22  LEU  26          HD22      LEU  26  -6.937  -7.217   0.954
  190   HD23  LEU  26          HD23      LEU  26  -8.656  -7.120   0.565
  191    H    SER  27           HN       SER  27  -9.972 -10.711  -2.398
  192    HA   SER  27           HA       SER  27  -7.990 -12.148  -3.875
  193    HB2  SER  27           HB2      SER  27  -9.630 -13.243  -2.323
  194    HB3  SER  27           HB1      SER  27 -10.910 -12.842  -3.470
  195    HG   SER  27           HG       SER  27 -10.269 -14.354  -4.759
  196    H    GLY  28           HN       GLY  28  -7.558 -11.309  -5.826
  197    HA2  GLY  28           HA2      GLY  28  -8.603 -11.789  -8.129
  198    HA3  GLY  28           HA1      GLY  28  -9.746 -10.548  -7.599
  199    H    ASP  29           HN       ASP  29  -9.011  -9.130  -9.283
  200    HA   ASP  29           HA       ASP  29  -6.264  -8.227  -8.866
  201    HB2  ASP  29           HB2      ASP  29  -6.898  -8.488 -11.244
  202    HB3  ASP  29           HB1      ASP  29  -8.155  -7.263 -11.026
  203    H    PHE  30           HN       PHE  30  -5.936  -6.843  -7.483
  204    HA   PHE  30           HA       PHE  30  -7.939  -4.746  -7.060
  205    HB2  PHE  30           HB2      PHE  30  -7.221  -4.615  -4.727
  206    HB3  PHE  30           HB1      PHE  30  -7.768  -6.239  -5.109
  207    HD1  PHE  30           HD2      PHE  30  -6.009  -8.035  -5.499
  208    HD2  PHE  30           HD1      PHE  30  -5.084  -4.214  -3.865
  209    HE1  PHE  30           HE2      PHE  30  -3.899  -8.927  -4.610
  210    HE2  PHE  30           HE1      PHE  30  -2.975  -5.108  -2.975
  211    HZ   PHE  30           HZ       PHE  30  -2.385  -7.464  -3.346
  212    H    LEU  31           HN       LEU  31  -4.934  -5.443  -8.320
  213    HA   LEU  31           HA       LEU  31  -3.303  -3.495  -7.294
  214    HB2  LEU  31           HB2      LEU  31  -2.768  -5.633  -8.454
  215    HB3  LEU  31           HB1      LEU  31  -3.275  -4.880  -9.951
  216    HG   LEU  31           HG       LEU  31  -1.644  -3.196  -9.591
  217   HD11  LEU  31          HD11      LEU  31  -0.661  -5.061  -7.402
  218   HD12  LEU  31          HD12      LEU  31  -1.256  -3.415  -7.185
  219   HD13  LEU  31          HD13      LEU  31   0.273  -3.696  -8.018
  220   HD21  LEU  31          HD21      LEU  31  -0.617  -6.018  -9.846
  221   HD22  LEU  31          HD22      LEU  31   0.301  -4.583 -10.315
  222   HD23  LEU  31          HD23      LEU  31  -1.208  -4.974 -11.139
  223    H    ASP  32           HN       ASP  32  -5.722  -3.485  -9.862
  224    HA   ASP  32           HA       ASP  32  -4.909  -0.762 -10.639
  225    HB2  ASP  32           HB2      ASP  32  -5.109  -2.384 -12.474
  226    HB3  ASP  32           HB1      ASP  32  -6.765  -2.733 -12.009
  227    H    LEU  33           HN       LEU  33  -6.919  -2.164  -8.485
  228    HA   LEU  33           HA       LEU  33  -9.361  -0.797  -8.957
  229    HB2  LEU  33           HB2      LEU  33  -8.317  -2.340  -6.627
  230    HB3  LEU  33           HB1      LEU  33  -9.787  -1.401  -6.479
  231    HG   LEU  33           HG       LEU  33  -9.360  -3.645  -8.460
  232   HD11  LEU  33          HD11      LEU  33 -10.922  -4.876  -7.033
  233   HD12  LEU  33          HD12      LEU  33 -10.972  -3.518  -5.909
  234   HD13  LEU  33          HD13      LEU  33  -9.475  -4.424  -6.132
  235   HD21  LEU  33          HD21      LEU  33 -10.902  -1.920  -9.246
  236   HD22  LEU  33          HD22      LEU  33 -11.776  -2.020  -7.720
  237   HD23  LEU  33          HD23      LEU  33 -11.776  -3.400  -8.824
  238    H    ARG  34           HN       ARG  34  -9.929   1.118  -8.566
  239    HA   ARG  34           HA       ARG  34  -8.294   3.075  -7.350
  240    HB2  ARG  34           HB2      ARG  34 -11.250   3.042  -7.987
  241    HB3  ARG  34           HB1      ARG  34 -10.383   4.462  -7.423
  242    HG2  ARG  34           HG2      ARG  34  -9.696   2.963  -9.942
  243    HG3  ARG  34           HG1      ARG  34 -10.757   4.373  -9.884
  244    HD2  ARG  34           HD2      ARG  34  -7.893   4.320  -8.939
  245    HD3  ARG  34           HD1      ARG  34  -8.430   4.939 -10.505
  246    HE   ARG  34           HE       ARG  34  -9.814   6.153  -8.311
  247   HH11  ARG  34          HH11      ARG  34  -6.984   6.435 -10.394
  248   HH12  ARG  34          HH12      ARG  34  -6.567   7.997  -9.841
  249   HH21  ARG  34          HH21      ARG  34  -9.357   8.357  -7.662
  250   HH22  ARG  34          HH22      ARG  34  -7.992   9.118  -8.315
  251    H    PHE  35           HN       PHE  35  -8.025   3.501  -5.264
  252    HA   PHE  35           HA       PHE  35  -9.004   1.948  -3.194
  253    HB2  PHE  35           HB2      PHE  35  -7.976   4.779  -3.071
  254    HB3  PHE  35           HB1      PHE  35  -8.212   3.735  -1.674
  255    HD1  PHE  35           HD2      PHE  35  -6.952   1.492  -1.701
  256    HD2  PHE  35           HD1      PHE  35  -5.967   4.805  -4.169
  257    HE1  PHE  35           HE2      PHE  35  -4.682   0.596  -1.988
  258    HE2  PHE  35           HE1      PHE  35  -3.704   3.918  -4.465
  259    HZ   PHE  35           HZ       PHE  35  -3.054   1.814  -3.374
  260    H    GLU  36           HN       GLU  36 -10.222   4.907  -4.493
  261    HA   GLU  36           HA       GLU  36 -12.132   5.605  -2.603
  262    HB2  GLU  36           HB2      GLU  36 -11.376   7.047  -4.377
  263    HB3  GLU  36           HB1      GLU  36 -12.063   5.977  -5.579
  264    HG2  GLU  36           HG2      GLU  36 -14.305   6.489  -4.696
  265    HG3  GLU  36           HG1      GLU  36 -13.561   7.647  -3.584
  266    H    ASP  37           HN       ASP  37 -12.262   3.208  -5.196
  267    HA   ASP  37           HA       ASP  37 -15.118   2.863  -4.953
  268    HB2  ASP  37           HB2      ASP  37 -13.923   2.447  -7.114
  269    HB3  ASP  37           HB1      ASP  37 -13.145   1.051  -6.371
  270    H    ILE  38           HN       ILE  38 -12.206   1.276  -3.852
  271    HA   ILE  38           HA       ILE  38 -13.767  -0.787  -2.583
  272    HB   ILE  38           HB       ILE  38 -11.593  -1.747  -1.793
  273   HG12  ILE  38          HG12      ILE  38 -10.389   0.413  -3.542
  274   HG13  ILE  38          HG11      ILE  38 -10.307   0.389  -1.792
  275   HG21  ILE  38          HG21      ILE  38 -12.660  -2.517  -3.813
  276   HG22  ILE  38          HG22      ILE  38 -10.902  -2.501  -4.034
  277   HG23  ILE  38          HG23      ILE  38 -11.903  -1.214  -4.728
  278   HD11  ILE  38          HD11      ILE  38  -8.225  -0.370  -2.782
  279   HD12  ILE  38          HD12      ILE  38  -9.085  -1.640  -3.656
  280   HD13  ILE  38          HD13      ILE  38  -8.998  -1.685  -1.895
  281    H    GLY  39           HN       GLY  39 -13.604   2.094  -1.785
  282    HA2  GLY  39           HA2      GLY  39 -14.201   3.209   0.152
  283    HA3  GLY  39           HA1      GLY  39 -14.307   1.645   0.934
  284    H    TYR  40           HN       TYR  40 -11.390   2.897  -0.547
  285    HA   TYR  40           HA       TYR  40 -10.170   2.956   2.113
  286    HB2  TYR  40           HB2      TYR  40  -9.200   2.076  -0.509
  287    HB3  TYR  40           HB1      TYR  40  -8.058   3.059   0.398
  288    HD1  TYR  40           HD2      TYR  40 -10.198   0.032   0.671
  289    HD2  TYR  40           HD1      TYR  40  -6.779   2.132   2.088
  290    HE1  TYR  40           HE2      TYR  40  -9.560  -1.908   2.035
  291    HE2  TYR  40           HE1      TYR  40  -6.139   0.223   3.446
  292    HH   TYR  40           HH       TYR  40  -7.214  -1.741   4.459
  293    H    ASP  41           HN       ASP  41  -9.433   4.696   2.921
  294    HA   ASP  41           HA       ASP  41  -9.284   7.145   1.293
  295    HB2  ASP  41           HB2      ASP  41  -9.347   6.729   4.284
  296    HB3  ASP  41           HB1      ASP  41  -8.822   8.243   3.576
  297    H    SER  42           HN       SER  42  -7.428   8.514   1.548
  298    HA   SER  42           HA       SER  42  -5.027   7.061   1.367
  299    HB2  SER  42           HB2      SER  42  -4.463   9.799   1.725
  300    HB3  SER  42           HB1      SER  42  -4.482   8.878   0.218
  301    H    LEU  43           HN       LEU  43  -6.647   8.726   3.893
  302    HA   LEU  43           HA       LEU  43  -4.667   8.996   5.814
  303    HB2  LEU  43           HB2      LEU  43  -7.505   8.063   6.263
  304    HB3  LEU  43           HB1      LEU  43  -6.444   8.747   7.476
  305    HG   LEU  43           HG       LEU  43  -7.537  10.208   5.074
  306   HD11  LEU  43          HD11      LEU  43  -9.244   9.736   6.731
  307   HD12  LEU  43          HD12      LEU  43  -8.849  11.455   6.710
  308   HD13  LEU  43          HD13      LEU  43  -8.225  10.423   7.996
  309   HD21  LEU  43          HD21      LEU  43  -6.582  12.206   6.120
  310   HD22  LEU  43          HD22      LEU  43  -5.329  11.030   5.719
  311   HD23  LEU  43          HD23      LEU  43  -5.874  11.205   7.389
  312    H    ALA  44           HN       ALA  44  -6.675   6.146   5.090
  313    HA   ALA  44           HA       ALA  44  -5.363   4.445   6.958
  314    HB1  ALA  44           HB1      ALA  44  -6.625   2.645   5.894
  315    HB2  ALA  44           HB2      ALA  44  -7.087   3.733   4.584
  316    HB3  ALA  44           HB3      ALA  44  -7.664   4.031   6.225
  317    H    LEU  45           HN       LEU  45  -4.964   5.222   3.591
  318    HA   LEU  45           HA       LEU  45  -3.156   3.203   2.932
  319    HB2  LEU  45           HB2      LEU  45  -3.440   5.984   1.821
  320    HB3  LEU  45           HB1      LEU  45  -2.368   4.777   1.134
  321    HG   LEU  45           HG       LEU  45  -5.365   4.521   1.360
  322   HD11  LEU  45          HD11      LEU  45  -3.593   5.018  -1.024
  323   HD12  LEU  45          HD12      LEU  45  -4.686   6.192  -0.295
  324   HD13  LEU  45          HD13      LEU  45  -5.331   4.743  -1.068
  325   HD21  LEU  45          HD21      LEU  45  -5.051   2.540  -0.018
  326   HD22  LEU  45          HD22      LEU  45  -4.180   2.386   1.516
  327   HD23  LEU  45          HD23      LEU  45  -3.309   2.787   0.031
  328    H    MET  46           HN       MET  46  -2.662   6.337   4.451
  329    HA   MET  46           HA       MET  46   0.164   6.303   4.469
  330    HB2  MET  46           HB2      MET  46  -1.711   7.582   6.477
  331    HB3  MET  46           HB1      MET  46   0.019   7.855   6.423
  332    HG2  MET  46           HG2      MET  46  -0.254   8.846   4.157
  333    HG3  MET  46           HG1      MET  46  -1.993   8.583   4.328
  334    HE1  MET  46           HE1      MET  46  -2.366   9.246   7.471
  335    HE2  MET  46           HE2      MET  46  -3.487   9.797   6.230
  336    HE3  MET  46           HE3      MET  46  -2.824  10.948   7.390
  337    H    GLU  47           HN       GLU  47  -2.232   4.896   6.577
  338    HA   GLU  47           HA       GLU  47  -0.378   4.009   8.550
  339    HB2  GLU  47           HB2      GLU  47  -2.833   4.282   8.953
  340    HB3  GLU  47           HB1      GLU  47  -3.115   2.917   7.899
  341    HG2  GLU  47           HG2      GLU  47  -1.867   1.448   9.376
  342    HG3  GLU  47           HG1      GLU  47  -1.535   2.800  10.454
  343    H    THR  48           HN       THR  48  -1.921   2.575   5.750
  344    HA   THR  48           HA       THR  48  -0.940  -0.017   5.812
  345    HB   THR  48           HB       THR  48  -1.351   1.770   3.385
  346    HG1  THR  48           HG1      THR  48  -3.236   1.549   4.825
  347   HG21  THR  48          HG21      THR  48  -1.782  -0.325   2.170
  348   HG22  THR  48          HG22      THR  48  -1.430  -1.251   3.627
  349   HG23  THR  48          HG23      THR  48  -0.153  -0.319   2.844
  350    H    ALA  49           HN       ALA  49   0.496   2.868   4.269
  351    HA   ALA  49           HA       ALA  49   2.906   1.728   3.440
  352    HB1  ALA  49           HB1      ALA  49   3.741   4.022   3.293
  353    HB2  ALA  49           HB2      ALA  49   2.382   4.585   4.266
  354    HB3  ALA  49           HB3      ALA  49   2.097   3.912   2.661
  355    H    ALA  50           HN       ALA  50   2.117   3.466   6.448
  356    HA   ALA  50           HA       ALA  50   4.622   3.418   7.658
  357    HB1  ALA  50           HB1      ALA  50   2.729   4.759   8.472
  358    HB2  ALA  50           HB2      ALA  50   3.456   3.802   9.763
  359    HB3  ALA  50           HB3      ALA  50   1.937   3.286   9.034
  360    H    ARG  51           HN       ARG  51   2.075   1.000   7.696
  361    HA   ARG  51           HA       ARG  51   3.168  -0.815   9.539
  362    HB2  ARG  51           HB2      ARG  51   1.488  -1.361   7.075
  363    HB3  ARG  51           HB1      ARG  51   1.879  -2.575   8.278
  364    HG2  ARG  51           HG2      ARG  51   0.326  -0.052   8.832
  365    HG3  ARG  51           HG1      ARG  51  -0.392  -1.633   8.515
  366    HD2  ARG  51           HD2      ARG  51   0.750  -2.545  10.441
  367    HD3  ARG  51           HD1      ARG  51   1.488  -0.975  10.778
  368    HE   ARG  51           HE       ARG  51  -1.409  -1.014  10.673
  369   HH11  ARG  51          HH11      ARG  51   1.404  -1.424  12.803
  370   HH12  ARG  51          HH12      ARG  51   0.627  -0.912  14.202
  371   HH21  ARG  51          HH21      ARG  51  -2.546  -0.345  12.650
  372   HH22  ARG  51          HH22      ARG  51  -1.674  -0.246  14.111
  373    H    LEU  52           HN       LEU  52   3.663  -0.454   6.083
  374    HA   LEU  52           HA       LEU  52   5.367  -2.739   5.950
  375    HB2  LEU  52           HB2      LEU  52   4.749  -0.643   3.889
  376    HB3  LEU  52           HB1      LEU  52   5.693  -2.095   3.590
  377    HG   LEU  52           HG       LEU  52   2.795  -2.025   4.431
  378   HD11  LEU  52          HD11      LEU  52   4.053  -2.733   1.795
  379   HD12  LEU  52          HD12      LEU  52   3.097  -1.292   2.150
  380   HD13  LEU  52          HD13      LEU  52   2.345  -2.884   2.202
  381   HD21  LEU  52          HD21      LEU  52   2.836  -4.438   4.024
  382   HD22  LEU  52          HD22      LEU  52   3.944  -3.981   5.318
  383   HD23  LEU  52          HD23      LEU  52   4.569  -4.357   3.712
  384    H    GLU  53           HN       GLU  53   5.903   0.712   6.231
  385    HA   GLU  53           HA       GLU  53   8.645   0.849   5.587
  386    HB2  GLU  53           HB2      GLU  53   7.203   2.332   7.783
  387    HB3  GLU  53           HB1      GLU  53   8.771   2.745   7.124
  388    HG2  GLU  53           HG2      GLU  53   7.704   3.185   4.964
  389    HG3  GLU  53           HG1      GLU  53   6.133   2.848   5.710
  390    H    SER  54           HN       SER  54   7.151   0.381   8.737
  391    HA   SER  54           HA       SER  54   9.576   0.022  10.136
  392    HB2  SER  54           HB2      SER  54   7.406   0.833  11.097
  393    HB3  SER  54           HB1      SER  54   6.766  -0.794  10.927
  394    HG   SER  54           HG       SER  54   9.124  -0.250  12.371
  395    H    ARG  55           HN       ARG  55   7.570  -2.058   8.328
  396    HA   ARG  55           HA       ARG  55   8.513  -4.513   9.541
  397    HB2  ARG  55           HB2      ARG  55   6.193  -4.240   8.857
  398    HB3  ARG  55           HB1      ARG  55   6.698  -3.988   7.199
  399    HG2  ARG  55           HG2      ARG  55   7.486  -6.272   7.076
  400    HG3  ARG  55           HG1      ARG  55   7.046  -6.526   8.771
  401    HD2  ARG  55           HD2      ARG  55   4.722  -6.069   8.261
  402    HD3  ARG  55           HD1      ARG  55   5.137  -5.728   6.586
  403    HE   ARG  55           HE       ARG  55   5.519  -8.370   7.819
  404   HH11  ARG  55          HH11      ARG  55   4.206  -6.320   5.265
  405   HH12  ARG  55          HH12      ARG  55   3.962  -7.602   4.166
  406   HH21  ARG  55          HH21      ARG  55   5.045 -10.181   6.308
  407   HH22  ARG  55          HH22      ARG  55   4.367  -9.754   4.784
  408    H    TYR  56           HN       TYR  56   9.281  -2.556   6.753
  409    HA   TYR  56           HA       TYR  56  11.032  -4.717   5.830
  410    HB2  TYR  56           HB2      TYR  56   9.522  -2.694   4.225
  411    HB3  TYR  56           HB1      TYR  56  10.883  -3.587   3.556
  412    HD1  TYR  56           HD2      TYR  56  10.727  -6.039   3.249
  413    HD2  TYR  56           HD1      TYR  56   7.424  -3.746   4.626
  414    HE1  TYR  56           HE2      TYR  56   9.215  -7.894   2.704
  415    HE2  TYR  56           HE1      TYR  56   5.907  -5.591   4.083
  416    HH   TYR  56           HH       TYR  56   6.998  -8.744   3.232
  417    H    GLY  57           HN       GLY  57  11.128  -1.634   7.134
  418    HA2  GLY  57           HA2      GLY  57  13.018  -0.444   7.705
  419    HA3  GLY  57           HA1      GLY  57  13.981  -1.557   6.737
  420    H    VAL  58           HN       VAL  58  11.185   0.305   5.764
  421    HA   VAL  58           HA       VAL  58  12.882   1.787   3.898
  422    HB   VAL  58           HB       VAL  58  11.148   1.704   2.163
  423   HG11  VAL  58          HG11      VAL  58  12.822  -0.092   2.209
  424   HG12  VAL  58          HG12      VAL  58  11.251  -0.651   1.589
  425   HG13  VAL  58          HG13      VAL  58  11.718  -0.996   3.261
  426   HG21  VAL  58          HG21      VAL  58   9.618  -0.107   4.030
  427   HG22  VAL  58          HG22      VAL  58   9.173   0.291   2.368
  428   HG23  VAL  58          HG23      VAL  58   9.171   1.551   3.603
  429    H    SER  59           HN       SER  59  11.419   3.735   2.949
  430    HA   SER  59           HA       SER  59   9.757   4.766   5.065
  431    HB2  SER  59           HB2      SER  59  12.158   6.210   3.929
  432    HB3  SER  59           HB1      SER  59  10.933   6.946   4.960
  433    HG   SER  59           HG       SER  59  11.508   5.005   6.363
  434    H    ILE  60           HN       ILE  60   8.068   5.767   4.331
  435    HA   ILE  60           HA       ILE  60   7.978   6.707   1.553
  436    HB   ILE  60           HB       ILE  60   5.787   5.165   3.014
  437   HG12  ILE  60          HG12      ILE  60   5.806   3.783   0.826
  438   HG13  ILE  60          HG11      ILE  60   7.377   4.511   0.540
  439   HG21  ILE  60          HG21      ILE  60   4.748   7.005   1.898
  440   HG22  ILE  60          HG22      ILE  60   4.354   5.483   1.092
  441   HG23  ILE  60          HG23      ILE  60   5.548   6.570   0.380
  442   HD11  ILE  60          HD11      ILE  60   6.592   2.834   2.891
  443   HD12  ILE  60          HD12      ILE  60   8.188   3.546   2.620
  444   HD13  ILE  60          HD13      ILE  60   7.571   2.306   1.518
  445    HA   PRO  61           HA       PRO  61   6.841  10.373   3.886
  446    HB2  PRO  61           HB2      PRO  61   6.108  11.370   1.186
  447    HB3  PRO  61           HB1      PRO  61   7.214  12.071   2.373
  448    HG2  PRO  61           HG2      PRO  61   8.143  10.898   0.164
  449    HG3  PRO  61           HG1      PRO  61   8.984  10.720   1.716
  450    HD2  PRO  61           HD2      PRO  61   7.174   8.799   0.305
  451    HD3  PRO  61           HD1      PRO  61   8.693   8.486   1.176
  452    H    ASP  62           HN       ASP  62   4.963  10.879   4.759
  453    HA   ASP  62           HA       ASP  62   2.685   9.353   4.394
  454    HB2  ASP  62           HB2      ASP  62   1.513  10.893   5.932
  455    HB3  ASP  62           HB1      ASP  62   3.100  10.431   6.516
  456    H    ASP  63           HN       ASP  63   3.355  12.493   2.978
  457    HA   ASP  63           HA       ASP  63   0.849  13.224   1.988
  458    HB2  ASP  63           HB2      ASP  63   3.466  13.532   0.517
  459    HB3  ASP  63           HB1      ASP  63   2.024  14.506   0.319
  460    H    VAL  64           HN       VAL  64   3.234  11.003   0.792
  461    HA   VAL  64           HA       VAL  64   2.369  10.772  -1.880
  462    HB   VAL  64           HB       VAL  64   3.991   8.879  -0.231
  463   HG11  VAL  64          HG11      VAL  64   3.843   9.217  -3.258
  464   HG12  VAL  64          HG12      VAL  64   3.239   7.836  -2.344
  465   HG13  VAL  64          HG13      VAL  64   4.972   8.149  -2.427
  466   HG21  VAL  64          HG21      VAL  64   4.964  11.076  -0.210
  467   HG22  VAL  64          HG22      VAL  64   4.871  11.181  -1.967
  468   HG23  VAL  64          HG23      VAL  64   5.960  10.019  -1.209
  469    H    ALA  65           HN       ALA  65   1.240   9.277   1.014
  470    HA   ALA  65           HA       ALA  65   0.196   6.969  -0.281
  471    HB1  ALA  65           HB1      ALA  65  -0.653   8.161   2.328
  472    HB2  ALA  65           HB2      ALA  65   0.701   7.041   2.129
  473    HB3  ALA  65           HB3      ALA  65  -0.950   6.510   1.789
  474    H    GLY  66           HN       GLY  66  -0.753  10.212  -0.134
  475    HA2  GLY  66           HA2      GLY  66  -3.482   9.545  -0.903
  476    HA3  GLY  66           HA1      GLY  66  -2.902  11.154  -0.492
  477    H    ARG  67           HN       ARG  67  -0.642   9.674  -2.326
  478    HA   ARG  67           HA       ARG  67  -1.380  11.214  -4.706
  479    HB2  ARG  67           HB2      ARG  67   0.748  11.812  -3.736
  480    HB3  ARG  67           HB1      ARG  67   1.241  10.134  -3.650
  481    HG2  ARG  67           HG2      ARG  67   1.307  10.078  -6.123
  482    HG3  ARG  67           HG1      ARG  67   0.912  11.797  -6.137
  483    HD2  ARG  67           HD2      ARG  67   2.944  12.355  -5.028
  484    HD3  ARG  67           HD1      ARG  67   3.298  10.659  -4.692
  485    HE   ARG  67           HE       ARG  67   3.011  11.149  -7.473
  486   HH11  ARG  67          HH11      ARG  67   5.387  11.759  -4.887
  487   HH12  ARG  67          HH12      ARG  67   6.734  11.423  -5.876
  488   HH21  ARG  67          HH21      ARG  67   4.844  10.770  -8.799
  489   HH22  ARG  67          HH22      ARG  67   6.423  10.845  -8.176
  490    H    VAL  68           HN       VAL  68  -1.270   8.034  -3.513
  491    HA   VAL  68           HA       VAL  68  -0.644   6.814  -6.046
  492    HB   VAL  68           HB       VAL  68  -0.915   4.642  -4.791
  493   HG11  VAL  68          HG11      VAL  68   0.986   6.658  -3.603
  494   HG12  VAL  68          HG12      VAL  68   1.264   5.682  -5.047
  495   HG13  VAL  68          HG13      VAL  68   1.136   4.906  -3.468
  496   HG21  VAL  68          HG21      VAL  68  -1.010   4.705  -2.336
  497   HG22  VAL  68          HG22      VAL  68  -2.474   5.388  -3.042
  498   HG23  VAL  68          HG23      VAL  68  -1.232   6.453  -2.385
  499    H    ASP  69           HN       ASP  69  -2.119   6.798  -7.517
  500    HA   ASP  69           HA       ASP  69  -4.929   6.930  -7.046
  501    HB2  ASP  69           HB2      ASP  69  -3.337   6.333  -9.543
  502    HB3  ASP  69           HB1      ASP  69  -5.090   6.395  -9.523
  503    H    THR  70           HN       THR  70  -2.683   4.334  -7.757
  504    HA   THR  70           HA       THR  70  -4.844   2.393  -7.396
  505    HB   THR  70           HB       THR  70  -3.574   0.922  -8.962
  506    HG1  THR  70           HG1      THR  70  -2.197   2.822 -10.298
  507   HG21  THR  70          HG21      THR  70  -4.459   3.555 -10.173
  508   HG22  THR  70          HG22      THR  70  -5.522   2.203  -9.783
  509   HG23  THR  70          HG23      THR  70  -4.300   2.028 -11.044
  510    HA   PRO  71           HA       PRO  71  -2.123   0.521  -4.349
  511    HB2  PRO  71           HB2      PRO  71  -2.918  -2.092  -5.541
  512    HB3  PRO  71           HB1      PRO  71  -3.049  -1.539  -3.865
  513    HG2  PRO  71           HG2      PRO  71  -5.209  -1.707  -5.367
  514    HG3  PRO  71           HG1      PRO  71  -4.979  -0.317  -4.286
  515    HD2  PRO  71           HD2      PRO  71  -4.532  -0.500  -7.251
  516    HD3  PRO  71           HD1      PRO  71  -5.337   0.780  -6.317
  517    H    ARG  72           HN       ARG  72  -1.999  -0.237  -7.708
  518    HA   ARG  72           HA       ARG  72   0.402  -1.695  -7.825
  519    HB2  ARG  72           HB2      ARG  72  -1.152  -1.467  -9.721
  520    HB3  ARG  72           HB1      ARG  72  -0.718   0.232  -9.860
  521    HG2  ARG  72           HG2      ARG  72   1.604  -0.427 -10.333
  522    HG3  ARG  72           HG1      ARG  72   1.115  -2.121 -10.257
  523    HD2  ARG  72           HD2      ARG  72   0.060  -0.056 -12.168
  524    HD3  ARG  72           HD1      ARG  72   1.231  -1.310 -12.552
  525    HE   ARG  72           HE       ARG  72  -0.955  -2.624 -11.546
  526   HH11  ARG  72          HH11      ARG  72  -0.250  -0.521 -14.280
  527   HH12  ARG  72          HH12      ARG  72  -1.470  -1.094 -15.288
  528   HH21  ARG  72          HH21      ARG  72  -2.704  -3.518 -12.940
  529   HH22  ARG  72          HH22      ARG  72  -2.917  -2.852 -14.478
  530    H    GLU  73           HN       GLU  73  -0.267   1.773  -8.085
  531    HA   GLU  73           HA       GLU  73   2.374   2.663  -8.446
  532    HB2  GLU  73           HB2      GLU  73   0.286   4.001  -8.805
  533    HB3  GLU  73           HB1      GLU  73   0.087   4.086  -7.064
  534    HG2  GLU  73           HG2      GLU  73   1.002   6.150  -7.853
  535    HG3  GLU  73           HG1      GLU  73   2.230   5.303  -6.918
  536    H    LEU  74           HN       LEU  74   0.443   2.052  -5.597
  537    HA   LEU  74           HA       LEU  74   2.267   3.002  -3.653
  538    HB2  LEU  74           HB2      LEU  74  -0.195   2.690  -3.330
  539    HB3  LEU  74           HB1      LEU  74   0.031   0.965  -3.381
  540    HG   LEU  74           HG       LEU  74  -0.389   1.940  -1.112
  541   HD11  LEU  74          HD11      LEU  74   1.283   0.642   0.087
  542   HD12  LEU  74          HD12      LEU  74   2.216   0.477  -1.401
  543   HD13  LEU  74          HD13      LEU  74   0.612  -0.246  -1.281
  544   HD21  LEU  74          HD21      LEU  74   0.872   3.996  -1.321
  545   HD22  LEU  74          HD22      LEU  74   2.376   3.086  -1.453
  546   HD23  LEU  74          HD23      LEU  74   1.458   3.059   0.053
  547    H    LEU  75           HN       LEU  75   1.568  -0.272  -4.861
  548    HA   LEU  75           HA       LEU  75   3.442  -1.685  -3.335
  549    HB2  LEU  75           HB2      LEU  75   1.620  -2.733  -4.612
  550    HB3  LEU  75           HB1      LEU  75   2.403  -2.276  -6.108
  551    HG   LEU  75           HG       LEU  75   4.310  -3.762  -5.514
  552   HD11  LEU  75          HD11      LEU  75   4.023  -5.399  -3.730
  553   HD12  LEU  75          HD12      LEU  75   2.523  -4.609  -3.246
  554   HD13  LEU  75          HD13      LEU  75   4.058  -3.752  -3.102
  555   HD21  LEU  75          HD21      LEU  75   2.531  -4.544  -6.982
  556   HD22  LEU  75          HD22      LEU  75   1.601  -5.083  -5.584
  557   HD23  LEU  75          HD23      LEU  75   3.139  -5.856  -5.973
  558    H    ASP  76           HN       ASP  76   3.655  -0.321  -6.579
  559    HA   ASP  76           HA       ASP  76   6.252  -1.105  -7.235
  560    HB2  ASP  76           HB2      ASP  76   4.657  -0.224  -8.874
  561    HB3  ASP  76           HB1      ASP  76   4.738   1.360  -8.111
  562    H    LEU  77           HN       LEU  77   5.062   1.801  -5.671
  563    HA   LEU  77           HA       LEU  77   7.391   3.278  -5.353
  564    HB2  LEU  77           HB2      LEU  77   5.202   4.134  -4.782
  565    HB3  LEU  77           HB1      LEU  77   5.027   2.939  -3.518
  566    HG   LEU  77           HG       LEU  77   6.911   4.027  -2.314
  567   HD11  LEU  77          HD11      LEU  77   7.989   5.112  -4.187
  568   HD12  LEU  77          HD12      LEU  77   7.557   6.280  -2.942
  569   HD13  LEU  77          HD13      LEU  77   6.585   6.158  -4.410
  570   HD21  LEU  77          HD21      LEU  77   5.574   5.918  -1.529
  571   HD22  LEU  77          HD22      LEU  77   4.602   4.459  -1.715
  572   HD23  LEU  77          HD23      LEU  77   4.505   5.741  -2.920
  573    H    ILE  78           HN       ILE  78   5.931   0.989  -3.094
  574    HA   ILE  78           HA       ILE  78   8.076   1.100  -1.285
  575    HB   ILE  78           HB       ILE  78   5.863  -0.969  -1.509
  576   HG12  ILE  78          HG12      ILE  78   6.193   1.494   0.219
  577   HG13  ILE  78          HG11      ILE  78   5.114   1.344  -1.159
  578   HG21  ILE  78          HG21      ILE  78   7.786  -1.856  -0.238
  579   HG22  ILE  78          HG22      ILE  78   6.416  -1.544   0.827
  580   HG23  ILE  78          HG23      ILE  78   7.776  -0.419   0.784
  581   HD11  ILE  78          HD11      ILE  78   3.923   1.164   0.935
  582   HD12  ILE  78          HD12      ILE  78   4.936  -0.203   1.408
  583   HD13  ILE  78          HD13      ILE  78   3.840  -0.346   0.031
  584    H    ASN  79           HN       ASN  79   7.334  -1.104  -3.934
  585    HA   ASN  79           HA       ASN  79   9.448  -2.926  -3.492
  586    HB2  ASN  79           HB2      ASN  79   7.973  -2.131  -5.994
  587    HB3  ASN  79           HB1      ASN  79   9.386  -3.163  -6.107
  588   HD21  ASN  79          HD21      ASN  79   7.065  -3.347  -3.442
  589   HD22  ASN  79          HD22      ASN  79   6.445  -4.890  -3.912
  590    H    GLY  80           HN       GLY  80   9.363   0.147  -5.192
  591    HA2  GLY  80           HA2      GLY  80  12.017   0.110  -6.155
  592    HA3  GLY  80           HA1      GLY  80  11.036   1.548  -5.893
  593    H    ALA  81           HN       ALA  81  10.591   1.324  -3.175
  594    HA   ALA  81           HA       ALA  81  12.987   2.354  -2.077
  595    HB1  ALA  81           HB1      ALA  81  10.526   1.348  -0.635
  596    HB2  ALA  81           HB2      ALA  81  10.767   2.991  -1.232
  597    HB3  ALA  81           HB3      ALA  81  11.789   2.363   0.062
  598    H    LEU  82           HN       LEU  82  11.409  -0.774  -1.876
  599    HA   LEU  82           HA       LEU  82  13.058  -2.060  -0.018
  600    HB2  LEU  82           HB2      LEU  82  11.443  -3.116  -2.315
  601    HB3  LEU  82           HB1      LEU  82  12.300  -4.161  -1.203
  602    HG   LEU  82           HG       LEU  82  10.143  -2.222  -0.374
  603   HD11  LEU  82          HD11      LEU  82   8.729  -4.204  -0.162
  604   HD12  LEU  82          HD12      LEU  82  10.021  -5.201  -0.830
  605   HD13  LEU  82          HD13      LEU  82   9.250  -3.972  -1.829
  606   HD21  LEU  82          HD21      LEU  82  10.187  -3.509   1.684
  607   HD22  LEU  82          HD22      LEU  82  11.754  -2.767   1.357
  608   HD23  LEU  82          HD23      LEU  82  11.509  -4.488   1.049
  609    H    ALA  83           HN       ALA  83  13.406  -1.612  -3.456
  610    HA   ALA  83           HA       ALA  83  15.566  -3.426  -3.764
  611    HB1  ALA  83           HB1      ALA  83  15.789  -2.473  -5.992
  612    HB2  ALA  83           HB2      ALA  83  14.717  -1.146  -5.544
  613    HB3  ALA  83           HB3      ALA  83  14.096  -2.794  -5.616
  614    H    GLU  84           HN       GLU  84  15.344  -0.150  -2.732
  615    HA   GLU  84           HA       GLU  84  18.215   0.177  -3.144
  616    HB2  GLU  84           HB2      GLU  84  16.856   1.959  -4.055
  617    HB3  GLU  84           HB1      GLU  84  16.130   2.246  -2.478
  618    HG2  GLU  84           HG2      GLU  84  18.234   2.983  -1.587
  619    HG3  GLU  84           HG1      GLU  84  19.057   2.550  -3.083
  620    H    ALA  85           HN       ALA  85  15.790   0.475  -0.557
  621    HA   ALA  85           HA       ALA  85  17.900   0.955   1.346
  622    HB1  ALA  85           HB1      ALA  85  16.137   1.246   2.993
  623    HB2  ALA  85           HB2      ALA  85  14.936   0.673   1.836
  624    HB3  ALA  85           HB3      ALA  85  15.783   2.192   1.547
  625    H    ALA  86           HN       ALA  86  18.968  -1.013   0.970
  626    HA   ALA  86           HA       ALA  86  18.415  -2.927   2.982
  627    HB1  ALA  86           HB1      ALA  86  18.253  -4.896   1.506
  628    HB2  ALA  86           HB2      ALA  86  18.222  -3.836   0.096
  629    HB3  ALA  86           HB3      ALA  86  16.890  -3.802   1.253
  630    H28  SXV  87          H28A      SXV  87  -4.815  11.932   3.393
  631   H28A  SXV  87          H28B      SXV  87  -4.085  11.092   2.029
  632    H30  SXV  87          H30C      SXV  87  -1.920  11.756   2.440
  633   H30A  SXV  87          H30A      SXV  87  -2.463  12.502   3.939
  634   H30B  SXV  87          H30B      SXV  87  -1.477  13.420   2.793
  635    H31  SXV  87          H31C      SXV  87  -2.491  14.174   0.600
  636   H31A  SXV  87          H31A      SXV  87  -4.119  13.634   0.183
  637   H31B  SXV  87          H31B      SXV  87  -2.801  12.467   0.286
  638    H32  SXV  87          H32A      SXV  87  -4.448  14.361   3.820
  639   HO33  SXV  87          H33A      SXV  87  -4.767  15.870   1.722
  640   HN36  SXV  87          H36A      SXV  87  -2.122  14.792   4.310
  641    H37  SXV  87          H37B      SXV  87  -1.314  17.324   4.489
  642   H37A  SXV  87          H37A      SXV  87  -0.623  16.836   2.938
  643    H38  SXV  87          H38B      SXV  87   0.496  14.953   4.042
  644   H38A  SXV  87          H38A      SXV  87  -0.240  15.414   5.575
  645   HN41  SXV  87          H41A      SXV  87   2.255  15.072   5.705
  646    H42  SXV  87          H42B      SXV  87   3.584  17.700   5.605
  647   H42A  SXV  87          H42A      SXV  87   4.406  16.140   5.498
  648    H43  SXV  87          H43B      SXV  87   3.754  15.633   7.792
  649   H43A  SXV  87          H43A      SXV  87   4.715  17.109   7.682
  650    H1   SXV  87           H1B      SXV  87   4.024  17.779  10.090
  651    H1A  SXV  87           H1A      SXV  87   2.357  17.983  10.656
  652    H2   SXV  87           H2A      SXV  87   3.522  15.337   9.899
  653    H2A  SXV  87           H2B      SXV  87   1.909  15.664  10.512
  654    H4   SXV  87           H4C      SXV  87   3.024  17.775  12.759
  655    H4A  SXV  87           H4A      SXV  87   3.306  16.528  13.981
  656    H4B  SXV  87           H4B      SXV  87   1.780  16.560  13.090
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  16.664 -11.179  -3.092
    2    H2   MET   1           HT2      MET   1  17.517 -11.956  -4.309
    3    H3   MET   1           HT3      MET   1  16.612 -10.554  -4.625
    4    HA   MET   1           HA       MET   1  18.916 -10.658  -2.771
    5    HB2  MET   1           HB2      MET   1  18.705  -9.362  -5.517
    6    HB3  MET   1           HB1      MET   1  20.078  -9.204  -4.429
    7    HG2  MET   1           HG2      MET   1  20.560 -11.558  -4.615
    8    HG3  MET   1           HG1      MET   1  19.115 -11.810  -5.587
    9    HE1  MET   1           HE1      MET   1  22.706 -10.232  -5.458
   10    HE2  MET   1           HE2      MET   1  21.690  -8.831  -5.798
   11    HE3  MET   1           HE3      MET   1  22.805  -9.432  -7.026
   12    H    ALA   2           HN       ALA   2  17.105  -8.301  -4.754
   13    HA   ALA   2           HA       ALA   2  16.860  -6.575  -2.441
   14    HB1  ALA   2           HB1      ALA   2  15.865  -6.320  -5.300
   15    HB2  ALA   2           HB2      ALA   2  17.301  -5.541  -4.636
   16    HB3  ALA   2           HB3      ALA   2  15.701  -5.075  -4.062
   17    H    THR   3           HN       THR   3  15.313  -7.164  -1.048
   18    HA   THR   3           HA       THR   3  13.312  -9.038  -1.714
   19    HB   THR   3           HB       THR   3  13.463  -7.220   0.612
   20    HG1  THR   3           HG1      THR   3  14.674  -9.807   0.397
   21   HG21  THR   3          HG21      THR   3  12.397 -10.036   0.298
   22   HG22  THR   3          HG22      THR   3  11.430  -8.573   0.474
   23   HG23  THR   3          HG23      THR   3  12.430  -9.133   1.814
   24    H    LEU   4           HN       LEU   4  11.791  -8.392  -3.091
   25    HA   LEU   4           HA       LEU   4  10.505  -5.789  -2.710
   26    HB2  LEU   4           HB2      LEU   4  10.349  -7.679  -5.057
   27    HB3  LEU   4           HB1      LEU   4   9.632  -6.087  -4.963
   28    HG   LEU   4           HG       LEU   4  12.574  -6.732  -5.090
   29   HD11  LEU   4          HD11      LEU   4  12.459  -5.603  -7.249
   30   HD12  LEU   4          HD12      LEU   4  10.719  -5.406  -7.051
   31   HD13  LEU   4          HD13      LEU   4  11.413  -7.022  -7.194
   32   HD21  LEU   4          HD21      LEU   4  12.916  -4.307  -5.210
   33   HD22  LEU   4          HD22      LEU   4  12.190  -4.779  -3.674
   34   HD23  LEU   4          HD23      LEU   4  11.193  -4.050  -4.932
   35    H    LEU   5           HN       LEU   5   8.591  -5.846  -1.744
   36    HA   LEU   5           HA       LEU   5   7.359  -8.330  -1.233
   37    HB2  LEU   5           HB2      LEU   5   5.590  -7.018  -0.078
   38    HB3  LEU   5           HB1      LEU   5   7.201  -6.727   0.511
   39    HG   LEU   5           HG       LEU   5   7.165  -4.550  -0.797
   40   HD11  LEU   5          HD11      LEU   5   5.345  -5.054  -2.341
   41   HD12  LEU   5          HD12      LEU   5   4.993  -3.621  -1.373
   42   HD13  LEU   5          HD13      LEU   5   4.221  -5.162  -0.985
   43   HD21  LEU   5          HD21      LEU   5   5.790  -3.423   0.892
   44   HD22  LEU   5          HD22      LEU   5   6.876  -4.626   1.584
   45   HD23  LEU   5          HD23      LEU   5   5.161  -4.989   1.396
   46    H    THR   6           HN       THR   6   5.127  -8.824  -1.711
   47    HA   THR   6           HA       THR   6   4.584  -8.039  -4.444
   48    HB   THR   6           HB       THR   6   3.612 -10.398  -4.650
   49    HG1  THR   6           HG1      THR   6   4.429 -10.513  -2.078
   50   HG21  THR   6          HG21      THR   6   6.589 -10.003  -4.321
   51   HG22  THR   6          HG22      THR   6   5.651  -9.659  -5.774
   52   HG23  THR   6          HG23      THR   6   5.824 -11.322  -5.208
   53    H    THR   7           HN       THR   7   2.195  -9.360  -4.831
   54    HA   THR   7           HA       THR   7   0.373  -7.489  -4.033
   55    HB   THR   7           HB       THR   7  -1.283  -9.383  -4.677
   56    HG1  THR   7           HG1      THR   7  -0.419 -11.137  -5.551
   57   HG21  THR   7          HG21      THR   7  -0.793  -8.988  -7.055
   58   HG22  THR   7          HG22      THR   7   0.786  -8.340  -6.619
   59   HG23  THR   7          HG23      THR   7  -0.681  -7.495  -6.121
   60    H    ASP   8           HN       ASP   8   0.752 -10.798  -2.671
   61    HA   ASP   8           HA       ASP   8  -1.321 -10.480  -0.792
   62    HB2  ASP   8           HB2      ASP   8   0.961 -12.419  -0.897
   63    HB3  ASP   8           HB1      ASP   8  -0.087 -12.357   0.515
   64    H    ASP   9           HN       ASP   9   2.014  -9.564  -0.580
   65    HA   ASP   9           HA       ASP   9   2.201  -9.068   2.192
   66    HB2  ASP   9           HB2      ASP   9   3.492  -7.485  -0.049
   67    HB3  ASP   9           HB1      ASP   9   4.007  -7.511   1.627
   68    H    LEU  10           HN       LEU  10   1.473  -6.914  -0.506
   69    HA   LEU  10           HA       LEU  10   0.775  -4.650   1.045
   70    HB2  LEU  10           HB2      LEU  10   1.478  -4.528  -1.311
   71    HB3  LEU  10           HB1      LEU  10   0.022  -5.371  -1.790
   72    HG   LEU  10           HG       LEU  10  -1.324  -3.449  -1.019
   73   HD11  LEU  10          HD11      LEU  10   0.173  -2.597   0.697
   74   HD12  LEU  10          HD12      LEU  10  -0.222  -1.339  -0.475
   75   HD13  LEU  10          HD13      LEU  10   1.346  -2.143  -0.538
   76   HD21  LEU  10          HD21      LEU  10  -0.680  -1.919  -2.818
   77   HD22  LEU  10          HD22      LEU  10  -0.642  -3.598  -3.349
   78   HD23  LEU  10          HD23      LEU  10   0.863  -2.757  -2.977
   79    H    ARG  11           HN       ARG  11  -1.062  -7.240  -0.387
   80    HA   ARG  11           HA       ARG  11  -3.698  -6.503   0.041
   81    HB2  ARG  11           HB2      ARG  11  -2.993  -8.474  -1.207
   82    HB3  ARG  11           HB1      ARG  11  -2.382  -9.210   0.258
   83    HG2  ARG  11           HG2      ARG  11  -4.690  -9.302   1.124
   84    HG3  ARG  11           HG1      ARG  11  -5.257  -8.659  -0.426
   85    HD2  ARG  11           HD2      ARG  11  -4.213 -10.562  -1.575
   86    HD3  ARG  11           HD1      ARG  11  -3.696 -11.208  -0.022
   87    HE   ARG  11           HE       ARG  11  -6.473 -10.760  -0.053
   88   HH11  ARG  11          HH11      ARG  11  -3.971 -13.111  -1.074
   89   HH12  ARG  11          HH12      ARG  11  -5.075 -14.371  -1.360
   90   HH21  ARG  11          HH21      ARG  11  -7.987 -12.524  -0.441
   91   HH22  ARG  11          HH22      ARG  11  -7.412 -14.039  -0.988
   92    H    ARG  12           HN       ARG  12  -1.566  -8.368   2.193
   93    HA   ARG  12           HA       ARG  12  -3.479  -8.445   4.278
   94    HB2  ARG  12           HB2      ARG  12  -0.525  -9.070   4.293
   95    HB3  ARG  12           HB1      ARG  12  -1.607  -9.371   5.650
   96    HG2  ARG  12           HG2      ARG  12  -2.908 -10.920   4.346
   97    HG3  ARG  12           HG1      ARG  12  -1.977 -10.537   2.900
   98    HD2  ARG  12           HD2      ARG  12  -1.240 -12.641   3.807
   99    HD3  ARG  12           HD1      ARG  12   0.032 -11.440   3.991
  100    HE   ARG  12           HE       ARG  12  -1.523 -11.509   6.330
  101   HH11  ARG  12          HH11      ARG  12   0.868 -13.513   4.616
  102   HH12  ARG  12          HH12      ARG  12   1.389 -14.307   6.031
  103   HH21  ARG  12          HH21      ARG  12  -0.818 -12.564   8.192
  104   HH22  ARG  12          HH22      ARG  12   0.440 -13.728   8.145
  105    H    ALA  13           HN       ALA  13  -0.872  -6.270   3.492
  106    HA   ALA  13           HA       ALA  13  -0.832  -4.845   5.939
  107    HB1  ALA  13           HB1      ALA  13   0.267  -3.070   4.686
  108    HB2  ALA  13           HB2      ALA  13  -0.196  -3.842   3.170
  109    HB3  ALA  13           HB3      ALA  13   0.939  -4.644   4.259
  110    H    LEU  14           HN       LEU  14  -2.809  -4.552   3.037
  111    HA   LEU  14           HA       LEU  14  -4.187  -2.224   3.846
  112    HB2  LEU  14           HB2      LEU  14  -5.066  -4.455   2.004
  113    HB3  LEU  14           HB1      LEU  14  -5.964  -2.971   2.238
  114    HG   LEU  14           HG       LEU  14  -3.191  -3.162   1.050
  115   HD11  LEU  14          HD11      LEU  14  -5.857  -2.607  -0.237
  116   HD12  LEU  14          HD12      LEU  14  -4.905  -4.079  -0.416
  117   HD13  LEU  14          HD13      LEU  14  -4.287  -2.549  -1.041
  118   HD21  LEU  14          HD21      LEU  14  -5.055  -0.809   1.344
  119   HD22  LEU  14          HD22      LEU  14  -3.515  -0.803   0.486
  120   HD23  LEU  14          HD23      LEU  14  -3.552  -1.057   2.231
  121    H    VAL  15           HN       VAL  15  -4.720  -5.641   4.407
  122    HA   VAL  15           HA       VAL  15  -7.168  -5.441   5.794
  123    HB   VAL  15           HB       VAL  15  -4.917  -7.450   6.232
  124   HG11  VAL  15          HG11      VAL  15  -7.846  -7.640   6.940
  125   HG12  VAL  15          HG12      VAL  15  -6.511  -7.459   8.077
  126   HG13  VAL  15          HG13      VAL  15  -6.658  -8.932   7.121
  127   HG21  VAL  15          HG21      VAL  15  -5.665  -7.432   3.915
  128   HG22  VAL  15          HG22      VAL  15  -7.339  -7.615   4.440
  129   HG23  VAL  15          HG23      VAL  15  -6.180  -8.915   4.719
  130    H    GLU  16           HN       GLU  16  -3.807  -5.338   6.894
  131    HA   GLU  16           HA       GLU  16  -4.092  -5.002   9.616
  132    HB2  GLU  16           HB2      GLU  16  -1.990  -3.705   7.850
  133    HB3  GLU  16           HB1      GLU  16  -1.945  -3.848   9.593
  134    HG2  GLU  16           HG2      GLU  16  -2.077  -6.182   7.722
  135    HG3  GLU  16           HG1      GLU  16  -0.618  -5.482   8.421
  136    H    SER  17           HN       SER  17  -4.587  -2.704   7.069
  137    HA   SER  17           HA       SER  17  -4.604  -0.424   8.863
  138    HB2  SER  17           HB2      SER  17  -5.094  -0.540   5.896
  139    HB3  SER  17           HB1      SER  17  -4.721   0.893   6.861
  140    HG   SER  17           HG       SER  17  -3.034  -1.363   6.464
  141    H    ALA  18           HN       ALA  18  -6.844  -1.875   6.478
  142    HA   ALA  18           HA       ALA  18  -8.984  -0.149   7.132
  143    HB1  ALA  18           HB1      ALA  18  -9.049  -2.760   5.639
  144    HB2  ALA  18           HB2      ALA  18  -8.713  -1.178   4.933
  145    HB3  ALA  18           HB3      ALA  18 -10.297  -1.515   5.631
  146    H    GLY  19           HN       GLY  19  -7.947  -3.172   8.471
  147    HA2  GLY  19           HA2      GLY  19  -8.740  -4.182  10.408
  148    HA3  GLY  19           HA1      GLY  19 -10.092  -3.046  10.420
  149    H    GLU  20           HN       GLU  20 -11.718  -3.333   8.784
  150    HA   GLU  20           HA       GLU  20 -12.261  -6.139   8.299
  151    HB2  GLU  20           HB2      GLU  20 -14.506  -5.351   7.586
  152    HB3  GLU  20           HB1      GLU  20 -14.125  -4.850   9.224
  153    HG2  GLU  20           HG2      GLU  20 -13.666  -2.606   8.481
  154    HG3  GLU  20           HG1      GLU  20 -13.861  -3.089   6.795
  155    H    THR  21           HN       THR  21 -12.165  -6.976   6.327
  156    HA   THR  21           HA       THR  21 -11.920  -5.224   4.030
  157    HB   THR  21           HB       THR  21  -9.875  -7.429   4.572
  158    HG1  THR  21           HG1      THR  21 -10.060  -4.843   5.431
  159   HG21  THR  21          HG21      THR  21  -8.624  -6.349   2.751
  160   HG22  THR  21          HG22      THR  21  -9.902  -5.147   2.574
  161   HG23  THR  21          HG23      THR  21 -10.224  -6.836   2.188
  162    H    ASP  22           HN       ASP  22 -14.141  -6.402   4.510
  163    HA   ASP  22           HA       ASP  22 -14.181  -8.955   3.031
  164    HB2  ASP  22           HB2      ASP  22 -15.207  -8.987   5.312
  165    HB3  ASP  22           HB1      ASP  22 -16.346  -7.754   4.782
  166    H    GLY  23           HN       GLY  23 -15.673  -5.771   3.344
  167    HA2  GLY  23           HA2      GLY  23 -17.142  -6.103   0.838
  168    HA3  GLY  23           HA1      GLY  23 -17.245  -4.734   1.942
  169    H    THR  24           HN       THR  24 -14.223  -5.895   1.234
  170    HA   THR  24           HA       THR  24 -13.646  -4.026  -0.902
  171    HB   THR  24           HB       THR  24 -12.022  -4.303   1.670
  172    HG1  THR  24           HG1      THR  24 -14.181  -2.810   1.050
  173   HG21  THR  24          HG21      THR  24 -10.777  -2.367   0.802
  174   HG22  THR  24          HG22      THR  24 -11.778  -2.371  -0.650
  175   HG23  THR  24          HG23      THR  24 -10.692  -3.722  -0.323
  176    H    ASP  25           HN       ASP  25 -13.415  -5.727  -2.252
  177    HA   ASP  25           HA       ASP  25 -12.145  -8.183  -1.421
  178    HB2  ASP  25           HB2      ASP  25 -14.141  -8.320  -2.790
  179    HB3  ASP  25           HB1      ASP  25 -13.364  -7.387  -4.062
  180    H    LEU  26           HN       LEU  26 -10.106  -8.377  -1.395
  181    HA   LEU  26           HA       LEU  26  -8.381  -6.948  -3.308
  182    HB2  LEU  26           HB2      LEU  26  -7.997  -8.077  -0.579
  183    HB3  LEU  26           HB1      LEU  26  -6.613  -7.916  -1.629
  184    HG   LEU  26           HG       LEU  26  -6.751  -5.531  -1.596
  185   HD11  LEU  26          HD11      LEU  26  -8.518  -4.306  -0.460
  186   HD12  LEU  26          HD12      LEU  26  -9.350  -5.817  -0.086
  187   HD13  LEU  26          HD13      LEU  26  -9.202  -5.282  -1.760
  188   HD21  LEU  26          HD21      LEU  26  -7.352  -6.712   1.057
  189   HD22  LEU  26          HD22      LEU  26  -6.644  -5.107   0.810
  190   HD23  LEU  26          HD23      LEU  26  -5.764  -6.573   0.307
  191    H    SER  27           HN       SER  27  -9.866  -9.684  -3.153
  192    HA   SER  27           HA       SER  27  -7.962 -11.724  -3.495
  193    HB2  SER  27           HB2      SER  27 -10.745 -11.682  -4.647
  194    HB3  SER  27           HB1      SER  27  -9.793 -13.086  -4.153
  195    HG   SER  27           HG       SER  27 -11.405 -11.506  -2.747
  196    H    GLY  28           HN       GLY  28  -6.973 -12.533  -5.258
  197    HA2  GLY  28           HA2      GLY  28  -6.322 -12.826  -7.455
  198    HA3  GLY  28           HA1      GLY  28  -7.680 -11.821  -7.951
  199    H    ASP  29           HN       ASP  29  -7.193  -9.952  -8.794
  200    HA   ASP  29           HA       ASP  29  -4.671  -8.682  -7.998
  201    HB2  ASP  29           HB2      ASP  29  -4.639  -9.262 -10.394
  202    HB3  ASP  29           HB1      ASP  29  -6.130  -8.349 -10.631
  203    H    PHE  30           HN       PHE  30  -4.977  -7.053  -6.797
  204    HA   PHE  30           HA       PHE  30  -7.483  -5.591  -7.030
  205    HB2  PHE  30           HB2      PHE  30  -7.050  -4.784  -4.727
  206    HB3  PHE  30           HB1      PHE  30  -7.146  -6.535  -4.840
  207    HD1  PHE  30           HD2      PHE  30  -4.975  -7.867  -4.799
  208    HD2  PHE  30           HD1      PHE  30  -5.184  -3.739  -3.809
  209    HE1  PHE  30           HE2      PHE  30  -2.821  -8.041  -3.635
  210    HE2  PHE  30           HE1      PHE  30  -3.041  -3.905  -2.643
  211    HZ   PHE  30           HZ       PHE  30  -1.848  -6.059  -2.553
  212    H    LEU  31           HN       LEU  31  -4.677  -5.405  -8.405
  213    HA   LEU  31           HA       LEU  31  -3.822  -2.749  -7.738
  214    HB2  LEU  31           HB2      LEU  31  -2.969  -4.770  -9.782
  215    HB3  LEU  31           HB1      LEU  31  -2.409  -3.122  -9.882
  216    HG   LEU  31           HG       LEU  31  -1.296  -3.358  -7.707
  217   HD11  LEU  31          HD11      LEU  31  -2.183  -6.232  -7.795
  218   HD12  LEU  31          HD12      LEU  31  -2.736  -4.996  -6.656
  219   HD13  LEU  31          HD13      LEU  31  -1.045  -5.508  -6.653
  220   HD21  LEU  31          HD21      LEU  31   0.467  -4.880  -8.436
  221   HD22  LEU  31          HD22      LEU  31  -0.095  -3.828  -9.742
  222   HD23  LEU  31          HD23      LEU  31  -0.612  -5.509  -9.687
  223    H    ASP  32           HN       ASP  32  -5.798  -4.298 -10.100
  224    HA   ASP  32           HA       ASP  32  -6.028  -2.113 -11.890
  225    HB2  ASP  32           HB2      ASP  32  -6.560  -4.356 -12.629
  226    HB3  ASP  32           HB1      ASP  32  -7.857  -4.478 -11.448
  227    H    LEU  33           HN       LEU  33  -7.642  -2.838  -8.909
  228    HA   LEU  33           HA       LEU  33  -9.735  -0.920  -9.470
  229    HB2  LEU  33           HB2      LEU  33 -10.700  -1.584  -7.286
  230    HB3  LEU  33           HB1      LEU  33 -10.501  -2.927  -8.378
  231    HG   LEU  33           HG       LEU  33  -8.385  -3.478  -7.017
  232   HD11  LEU  33          HD11      LEU  33  -8.376  -2.736  -4.698
  233   HD12  LEU  33          HD12      LEU  33  -9.729  -1.655  -5.031
  234   HD13  LEU  33          HD13      LEU  33  -8.170  -1.378  -5.806
  235   HD21  LEU  33          HD21      LEU  33  -9.700  -4.683  -5.347
  236   HD22  LEU  33          HD22      LEU  33 -10.405  -4.802  -6.960
  237   HD23  LEU  33          HD23      LEU  33 -11.110  -3.709  -5.767
  238    H    ARG  34           HN       ARG  34 -10.219   0.711  -7.615
  239    HA   ARG  34           HA       ARG  34  -7.606   1.722  -6.742
  240    HB2  ARG  34           HB2      ARG  34  -9.865   3.465  -7.679
  241    HB3  ARG  34           HB1      ARG  34  -8.323   4.016  -7.051
  242    HG2  ARG  34           HG2      ARG  34  -7.363   2.614  -9.009
  243    HG3  ARG  34           HG1      ARG  34  -8.987   2.811  -9.678
  244    HD2  ARG  34           HD2      ARG  34  -7.080   4.949  -8.814
  245    HD3  ARG  34           HD1      ARG  34  -7.572   4.592 -10.468
  246    HE   ARG  34           HE       ARG  34  -9.778   5.310  -8.758
  247   HH11  ARG  34          HH11      ARG  34  -7.275   6.508 -10.937
  248   HH12  ARG  34          HH12      ARG  34  -7.928   8.070 -11.103
  249   HH21  ARG  34          HH21      ARG  34 -10.700   7.567  -8.928
  250   HH22  ARG  34          HH22      ARG  34  -9.889   8.659  -9.926
  251    H    PHE  35           HN       PHE  35  -7.691   3.303  -5.037
  252    HA   PHE  35           HA       PHE  35  -9.064   2.185  -2.817
  253    HB2  PHE  35           HB2      PHE  35  -7.447   4.725  -2.975
  254    HB3  PHE  35           HB1      PHE  35  -7.870   3.850  -1.508
  255    HD1  PHE  35           HD2      PHE  35  -7.089   1.359  -1.426
  256    HD2  PHE  35           HD1      PHE  35  -5.458   4.330  -3.985
  257    HE1  PHE  35           HE2      PHE  35  -5.041   0.018  -1.674
  258    HE2  PHE  35           HE1      PHE  35  -3.431   3.013  -4.257
  259    HZ   PHE  35           HZ       PHE  35  -3.201   0.846  -3.089
  260    H    GLU  36           HN       GLU  36  -9.343   5.111  -4.710
  261    HA   GLU  36           HA       GLU  36 -11.264   6.518  -3.274
  262    HB2  GLU  36           HB2      GLU  36 -10.047   7.378  -5.210
  263    HB3  GLU  36           HB1      GLU  36 -10.878   6.238  -6.252
  264    HG2  GLU  36           HG2      GLU  36 -13.001   7.363  -5.732
  265    HG3  GLU  36           HG1      GLU  36 -12.105   8.539  -4.766
  266    H    ASP  37           HN       ASP  37 -11.563   3.913  -5.560
  267    HA   ASP  37           HA       ASP  37 -14.400   3.945  -5.752
  268    HB2  ASP  37           HB2      ASP  37 -13.024   3.120  -7.556
  269    HB3  ASP  37           HB1      ASP  37 -12.379   1.855  -6.521
  270    H    ILE  38           HN       ILE  38 -12.073   1.983  -3.943
  271    HA   ILE  38           HA       ILE  38 -14.212   0.419  -2.770
  272    HB   ILE  38           HB       ILE  38 -12.443  -0.820  -1.558
  273   HG12  ILE  38          HG12      ILE  38 -10.556   1.059  -3.016
  274   HG13  ILE  38          HG11      ILE  38 -10.811   0.997  -1.280
  275   HG21  ILE  38          HG21      ILE  38 -11.997  -0.482  -4.504
  276   HG22  ILE  38          HG22      ILE  38 -13.164  -1.566  -3.729
  277   HG23  ILE  38          HG23      ILE  38 -11.424  -1.844  -3.531
  278   HD11  ILE  38          HD11      ILE  38  -9.581  -1.172  -2.974
  279   HD12  ILE  38          HD12      ILE  38  -9.847  -1.265  -1.235
  280   HD13  ILE  38          HD13      ILE  38  -8.722  -0.075  -1.895
  281    H    GLY  39           HN       GLY  39 -13.651   3.322  -2.198
  282    HA2  GLY  39           HA2      GLY  39 -13.950   4.801  -0.432
  283    HA3  GLY  39           HA1      GLY  39 -14.747   3.464   0.382
  284    H    TYR  40           HN       TYR  40 -11.398   3.964  -0.623
  285    HA   TYR  40           HA       TYR  40 -10.571   3.301   2.114
  286    HB2  TYR  40           HB2      TYR  40  -9.961   1.998  -0.171
  287    HB3  TYR  40           HB1      TYR  40  -8.698   3.219  -0.188
  288    HD1  TYR  40           HD1      TYR  40  -7.147   3.373   1.751
  289    HD2  TYR  40           HD2      TYR  40  -9.783   0.086   1.215
  290    HE1  TYR  40           HE1      TYR  40  -5.775   2.055   3.271
  291    HE2  TYR  40           HE2      TYR  40  -8.403  -1.267   2.745
  292    HH   TYR  40           HH       TYR  40  -5.915   0.106   4.643
  293    H    ASP  41           HN       ASP  41  -9.556   4.859   3.181
  294    HA   ASP  41           HA       ASP  41  -9.122   7.443   1.894
  295    HB2  ASP  41           HB2      ASP  41  -8.883   6.593   4.777
  296    HB3  ASP  41           HB1      ASP  41  -8.422   8.189   4.211
  297    H    SER  42           HN       SER  42  -7.180   8.626   2.005
  298    HA   SER  42           HA       SER  42  -4.930   7.017   1.359
  299    HB2  SER  42           HB2      SER  42  -3.788   9.067   0.916
  300    HB3  SER  42           HB1      SER  42  -5.460   9.323   0.406
  301    H    LEU  43           HN       LEU  43  -6.060   8.696   4.173
  302    HA   LEU  43           HA       LEU  43  -3.739   8.580   5.744
  303    HB2  LEU  43           HB2      LEU  43  -6.636   8.461   6.573
  304    HB3  LEU  43           HB1      LEU  43  -5.309   8.587   7.709
  305    HG   LEU  43           HG       LEU  43  -5.977  10.642   5.598
  306   HD11  LEU  43          HD11      LEU  43  -6.720  12.001   7.480
  307   HD12  LEU  43          HD12      LEU  43  -6.407  10.659   8.583
  308   HD13  LEU  43          HD13      LEU  43  -7.669  10.519   7.357
  309   HD21  LEU  43          HD21      LEU  43  -4.355  12.028   6.799
  310   HD22  LEU  43          HD22      LEU  43  -3.598  10.569   6.159
  311   HD23  LEU  43          HD23      LEU  43  -3.992  10.678   7.872
  312    H    ALA  44           HN       ALA  44  -6.213   6.188   5.078
  313    HA   ALA  44           HA       ALA  44  -5.205   4.275   6.924
  314    HB1  ALA  44           HB1      ALA  44  -7.530   4.196   6.133
  315    HB2  ALA  44           HB2      ALA  44  -6.684   2.690   5.767
  316    HB3  ALA  44           HB3      ALA  44  -6.959   3.882   4.494
  317    H    LEU  45           HN       LEU  45  -4.610   5.118   3.600
  318    HA   LEU  45           HA       LEU  45  -2.943   2.928   2.929
  319    HB2  LEU  45           HB2      LEU  45  -3.048   5.732   1.830
  320    HB3  LEU  45           HB1      LEU  45  -2.108   4.431   1.126
  321    HG   LEU  45           HG       LEU  45  -5.108   4.409   1.409
  322   HD11  LEU  45          HD11      LEU  45  -4.351   6.090  -0.203
  323   HD12  LEU  45          HD12      LEU  45  -5.111   4.722  -1.016
  324   HD13  LEU  45          HD13      LEU  45  -3.356   4.876  -1.005
  325   HD21  LEU  45          HD21      LEU  45  -3.190   2.581  -0.007
  326   HD22  LEU  45          HD22      LEU  45  -4.949   2.464  -0.046
  327   HD23  LEU  45          HD23      LEU  45  -4.080   2.204   1.469
  328    H    MET  46           HN       MET  46  -2.355   6.012   4.445
  329    HA   MET  46           HA       MET  46   0.487   5.826   4.489
  330    HB2  MET  46           HB2      MET  46  -1.338   7.320   6.394
  331    HB3  MET  46           HB1      MET  46   0.399   7.562   6.247
  332    HG2  MET  46           HG2      MET  46   0.143   8.394   4.001
  333    HG3  MET  46           HG1      MET  46  -1.581   7.998   4.045
  334    HE1  MET  46           HE1      MET  46  -2.384  10.341   3.328
  335    HE2  MET  46           HE2      MET  46  -0.696  10.802   3.098
  336    HE3  MET  46           HE3      MET  46  -1.782  11.852   4.011
  337    H    GLU  47           HN       GLU  47  -2.068   4.664   6.517
  338    HA   GLU  47           HA       GLU  47  -0.489   3.634   8.634
  339    HB2  GLU  47           HB2      GLU  47  -2.912   3.973   8.820
  340    HB3  GLU  47           HB1      GLU  47  -3.190   2.801   7.551
  341    HG2  GLU  47           HG2      GLU  47  -3.693   1.790   9.659
  342    HG3  GLU  47           HG1      GLU  47  -2.248   1.039   8.990
  343    H    THR  48           HN       THR  48  -1.847   2.213   5.665
  344    HA   THR  48           HA       THR  48  -0.838  -0.353   5.730
  345    HB   THR  48           HB       THR  48  -1.033   1.484   3.323
  346    HG1  THR  48           HG1      THR  48  -2.914   0.437   4.992
  347   HG21  THR  48          HG21      THR  48  -1.485  -0.579   2.077
  348   HG22  THR  48          HG22      THR  48  -1.251  -1.522   3.547
  349   HG23  THR  48          HG23      THR  48   0.107  -0.639   2.840
  350    H    ALA  49           HN       ALA  49   0.609   2.545   4.284
  351    HA   ALA  49           HA       ALA  49   3.059   1.537   3.531
  352    HB1  ALA  49           HB1      ALA  49   2.235   3.745   2.870
  353    HB2  ALA  49           HB2      ALA  49   3.855   3.839   3.559
  354    HB3  ALA  49           HB3      ALA  49   2.456   4.320   4.523
  355    H    ALA  50           HN       ALA  50   2.205   3.143   6.600
  356    HA   ALA  50           HA       ALA  50   4.693   3.038   7.817
  357    HB1  ALA  50           HB1      ALA  50   2.808   4.356   8.652
  358    HB2  ALA  50           HB2      ALA  50   3.539   3.373   9.922
  359    HB3  ALA  50           HB3      ALA  50   2.015   2.875   9.187
  360    H    ARG  51           HN       ARG  51   2.134   0.607   7.894
  361    HA   ARG  51           HA       ARG  51   3.391  -1.155   9.725
  362    HB2  ARG  51           HB2      ARG  51   1.483  -1.869   7.472
  363    HB3  ARG  51           HB1      ARG  51   1.875  -2.896   8.844
  364    HG2  ARG  51           HG2      ARG  51   0.500  -0.217   9.025
  365    HG3  ARG  51           HG1      ARG  51  -0.311  -1.780   9.063
  366    HD2  ARG  51           HD2      ARG  51   0.720  -2.356  11.119
  367    HD3  ARG  51           HD1      ARG  51   1.817  -0.972  11.041
  368    HE   ARG  51           HE       ARG  51  -0.280   0.413  11.187
  369   HH11  ARG  51          HH11      ARG  51  -0.207  -2.825  12.658
  370   HH12  ARG  51          HH12      ARG  51  -1.245  -2.419  13.943
  371   HH21  ARG  51          HH21      ARG  51  -1.679   0.969  12.957
  372   HH22  ARG  51          HH22      ARG  51  -2.114  -0.211  14.116
  373    H    LEU  52           HN       LEU  52   3.372  -1.075   6.208
  374    HA   LEU  52           HA       LEU  52   5.253  -3.171   5.913
  375    HB2  LEU  52           HB2      LEU  52   4.420  -1.016   3.982
  376    HB3  LEU  52           HB1      LEU  52   5.480  -2.350   3.557
  377    HG   LEU  52           HG       LEU  52   2.642  -2.653   4.542
  378   HD11  LEU  52          HD11      LEU  52   3.784  -2.948   1.773
  379   HD12  LEU  52          HD12      LEU  52   2.709  -1.665   2.326
  380   HD13  LEU  52          HD13      LEU  52   2.134  -3.331   2.258
  381   HD21  LEU  52          HD21      LEU  52   2.916  -4.989   3.879
  382   HD22  LEU  52          HD22      LEU  52   4.067  -4.536   5.136
  383   HD23  LEU  52          HD23      LEU  52   4.600  -4.676   3.460
  384    H    GLU  53           HN       GLU  53   5.669   0.322   6.176
  385    HA   GLU  53           HA       GLU  53   8.389   0.539   5.618
  386    HB2  GLU  53           HB2      GLU  53   6.736   2.049   7.639
  387    HB3  GLU  53           HB1      GLU  53   8.403   2.442   7.273
  388    HG2  GLU  53           HG2      GLU  53   7.744   2.914   4.956
  389    HG3  GLU  53           HG1      GLU  53   6.064   2.572   5.390
  390    H    SER  54           HN       SER  54   6.725  -0.250   8.572
  391    HA   SER  54           HA       SER  54   8.972  -0.490  10.211
  392    HB2  SER  54           HB2      SER  54   6.626  -0.266  10.998
  393    HB3  SER  54           HB1      SER  54   6.298  -1.891  10.412
  394    HG   SER  54           HG       SER  54   6.720  -1.850  12.604
  395    H    ARG  55           HN       ARG  55   7.044  -2.984   8.535
  396    HA   ARG  55           HA       ARG  55   8.548  -5.187   9.317
  397    HB2  ARG  55           HB2      ARG  55   6.302  -5.396   8.397
  398    HB3  ARG  55           HB1      ARG  55   6.874  -4.870   6.819
  399    HG2  ARG  55           HG2      ARG  55   8.305  -6.845   6.682
  400    HG3  ARG  55           HG1      ARG  55   7.731  -7.368   8.262
  401    HD2  ARG  55           HD2      ARG  55   5.457  -7.570   7.355
  402    HD3  ARG  55           HD1      ARG  55   6.048  -7.042   5.774
  403    HE   ARG  55           HE       ARG  55   7.627  -9.167   6.586
  404   HH11  ARG  55          HH11      ARG  55   4.242  -8.702   5.495
  405   HH12  ARG  55          HH12      ARG  55   4.050 -10.313   5.043
  406   HH21  ARG  55          HH21      ARG  55   7.352 -11.316   5.938
  407   HH22  ARG  55          HH22      ARG  55   5.868 -11.868   5.276
  408    H    TYR  56           HN       TYR  56   8.949  -3.183   6.407
  409    HA   TYR  56           HA       TYR  56  11.188  -4.900   5.660
  410    HB2  TYR  56           HB2      TYR  56   9.463  -3.071   4.035
  411    HB3  TYR  56           HB1      TYR  56  11.009  -3.660   3.424
  412    HD1  TYR  56           HD2      TYR  56  11.324  -6.118   3.017
  413    HD2  TYR  56           HD1      TYR  56   7.585  -4.482   4.214
  414    HE1  TYR  56           HE2      TYR  56  10.182  -8.174   2.275
  415    HE2  TYR  56           HE1      TYR  56   6.445  -6.512   3.487
  416    HH   TYR  56           HH       TYR  56   8.055  -9.419   2.632
  417    H    GLY  57           HN       GLY  57  10.865  -2.116   7.314
  418    HA2  GLY  57           HA2      GLY  57  12.425  -0.588   8.012
  419    HA3  GLY  57           HA1      GLY  57  13.641  -1.566   7.201
  420    H    VAL  58           HN       VAL  58  10.866   0.285   6.037
  421    HA   VAL  58           HA       VAL  58  12.742   1.751   4.353
  422    HB   VAL  58           HB       VAL  58  11.009   2.006   2.574
  423   HG11  VAL  58          HG11      VAL  58  11.191  -0.248   1.665
  424   HG12  VAL  58          HG12      VAL  58  11.705  -0.838   3.242
  425   HG13  VAL  58          HG13      VAL  58  12.719   0.307   2.354
  426   HG21  VAL  58          HG21      VAL  58   9.008   1.626   3.926
  427   HG22  VAL  58          HG22      VAL  58   9.483  -0.066   4.150
  428   HG23  VAL  58          HG23      VAL  58   9.062   0.528   2.546
  429    H    SER  59           HN       SER  59  11.482   3.822   3.376
  430    HA   SER  59           HA       SER  59  10.061   5.059   5.570
  431    HB2  SER  59           HB2      SER  59  12.488   6.249   4.190
  432    HB3  SER  59           HB1      SER  59  11.519   7.021   5.449
  433    HG   SER  59           HG       SER  59  12.130   4.805   6.528
  434    H    ILE  60           HN       ILE  60   8.247   5.499   4.658
  435    HA   ILE  60           HA       ILE  60   8.169   6.491   1.882
  436    HB   ILE  60           HB       ILE  60   6.068   4.969   3.456
  437   HG12  ILE  60          HG12      ILE  60   7.631   4.141   0.996
  438   HG13  ILE  60          HG11      ILE  60   7.966   3.596   2.634
  439   HG21  ILE  60          HG21      ILE  60   4.735   4.981   1.394
  440   HG22  ILE  60          HG22      ILE  60   5.942   6.016   0.629
  441   HG23  ILE  60          HG23      ILE  60   5.014   6.611   2.004
  442   HD11  ILE  60          HD11      ILE  60   5.445   3.071   1.076
  443   HD12  ILE  60          HD12      ILE  60   5.780   2.514   2.716
  444   HD13  ILE  60          HD13      ILE  60   6.748   1.920   1.367
  445    HA   PRO  61           HA       PRO  61   6.883  10.221   4.032
  446    HB2  PRO  61           HB2      PRO  61   6.317  11.123   1.264
  447    HB3  PRO  61           HB1      PRO  61   7.332  11.875   2.498
  448    HG2  PRO  61           HG2      PRO  61   8.420  10.642   0.392
  449    HG3  PRO  61           HG1      PRO  61   9.160  10.546   2.000
  450    HD2  PRO  61           HD2      PRO  61   7.501   8.519   0.554
  451    HD3  PRO  61           HD1      PRO  61   8.951   8.284   1.554
  452    H    ASP  62           HN       ASP  62   5.005  10.636   4.816
  453    HA   ASP  62           HA       ASP  62   2.728   9.138   4.632
  454    HB2  ASP  62           HB2      ASP  62   2.877  12.058   5.380
  455    HB3  ASP  62           HB1      ASP  62   1.504  11.013   5.694
  456    H    ASP  63           HN       ASP  63   3.129  12.318   3.204
  457    HA   ASP  63           HA       ASP  63   0.557  12.521   2.102
  458    HB2  ASP  63           HB2      ASP  63   3.061  13.948   1.199
  459    HB3  ASP  63           HB1      ASP  63   1.408  14.438   0.849
  460    H    VAL  64           HN       VAL  64   3.320  10.865   0.949
  461    HA   VAL  64           HA       VAL  64   2.666  10.896  -1.834
  462    HB   VAL  64           HB       VAL  64   4.436   9.038  -0.260
  463   HG11  VAL  64          HG11      VAL  64   3.845   8.068  -2.455
  464   HG12  VAL  64          HG12      VAL  64   5.542   8.545  -2.445
  465   HG13  VAL  64          HG13      VAL  64   4.346   9.555  -3.259
  466   HG21  VAL  64          HG21      VAL  64   6.295  10.426  -1.044
  467   HG22  VAL  64          HG22      VAL  64   5.124  11.370  -0.108
  468   HG23  VAL  64          HG23      VAL  64   5.149  11.483  -1.864
  469    H    ALA  65           HN       ALA  65   1.555   9.098   0.875
  470    HA   ALA  65           HA       ALA  65   0.620   6.877  -0.684
  471    HB1  ALA  65           HB1      ALA  65  -0.430   6.105   1.372
  472    HB2  ALA  65           HB2      ALA  65  -0.106   7.660   2.137
  473    HB3  ALA  65           HB3      ALA  65   1.235   6.602   1.688
  474    H    GLY  66           HN       GLY  66  -0.326   9.998  -0.522
  475    HA2  GLY  66           HA2      GLY  66  -3.169   9.405  -0.820
  476    HA3  GLY  66           HA1      GLY  66  -2.452  11.008  -0.672
  477    H    ARG  67           HN       ARG  67  -0.418   9.642  -2.716
  478    HA   ARG  67           HA       ARG  67  -1.982  10.590  -5.007
  479    HB2  ARG  67           HB2      ARG  67   0.163  11.101  -6.107
  480    HB3  ARG  67           HB1      ARG  67  -0.123  12.042  -4.649
  481    HG2  ARG  67           HG2      ARG  67   1.346  10.213  -3.528
  482    HG3  ARG  67           HG1      ARG  67   1.851   9.864  -5.183
  483    HD2  ARG  67           HD2      ARG  67   3.410  11.416  -4.190
  484    HD3  ARG  67           HD1      ARG  67   2.489  12.242  -5.451
  485    HE   ARG  67           HE       ARG  67   1.034  12.923  -3.356
  486   HH11  ARG  67          HH11      ARG  67   4.596  12.802  -3.460
  487   HH12  ARG  67          HH12      ARG  67   4.759  14.059  -2.322
  488   HH21  ARG  67          HH21      ARG  67   1.283  14.600  -1.863
  489   HH22  ARG  67          HH22      ARG  67   2.827  15.135  -1.400
  490    H    VAL  68           HN       VAL  68  -1.479   7.837  -3.742
  491    HA   VAL  68           HA       VAL  68  -0.747   6.521  -6.229
  492    HB   VAL  68           HB       VAL  68  -0.651   4.409  -4.819
  493   HG11  VAL  68          HG11      VAL  68   1.158   6.673  -3.974
  494   HG12  VAL  68          HG12      VAL  68   1.373   5.628  -5.378
  495   HG13  VAL  68          HG13      VAL  68   1.497   4.956  -3.752
  496   HG21  VAL  68          HG21      VAL  68  -2.077   5.130  -2.952
  497   HG22  VAL  68          HG22      VAL  68  -0.882   6.348  -2.503
  498   HG23  VAL  68          HG23      VAL  68  -0.487   4.632  -2.375
  499    H    ASP  69           HN       ASP  69  -2.393   6.345  -7.465
  500    HA   ASP  69           HA       ASP  69  -5.102   6.353  -6.492
  501    HB2  ASP  69           HB2      ASP  69  -4.006   5.983  -9.285
  502    HB3  ASP  69           HB1      ASP  69  -5.720   6.028  -8.906
  503    H    THR  70           HN       THR  70  -3.012   3.999  -8.020
  504    HA   THR  70           HA       THR  70  -4.975   1.915  -7.383
  505    HB   THR  70           HB       THR  70  -3.716   0.537  -9.031
  506    HG1  THR  70           HG1      THR  70  -2.469   2.915  -9.898
  507   HG21  THR  70          HG21      THR  70  -5.713   1.725  -9.790
  508   HG22  THR  70          HG22      THR  70  -4.504   1.694 -11.074
  509   HG23  THR  70          HG23      THR  70  -4.750   3.163 -10.129
  510    HA   PRO  71           HA       PRO  71  -2.027   0.135  -4.492
  511    HB2  PRO  71           HB2      PRO  71  -2.858  -2.478  -5.647
  512    HB3  PRO  71           HB1      PRO  71  -2.886  -1.939  -3.963
  513    HG2  PRO  71           HG2      PRO  71  -5.148  -2.124  -5.310
  514    HG3  PRO  71           HG1      PRO  71  -4.857  -0.727  -4.251
  515    HD2  PRO  71           HD2      PRO  71  -4.610  -0.925  -7.231
  516    HD3  PRO  71           HD1      PRO  71  -5.372   0.348  -6.249
  517    H    ARG  72           HN       ARG  72  -2.120  -0.536  -7.836
  518    HA   ARG  72           HA       ARG  72   0.231  -2.010  -8.258
  519    HB2  ARG  72           HB2      ARG  72  -1.508  -1.665  -9.938
  520    HB3  ARG  72           HB1      ARG  72  -1.159   0.054  -9.971
  521    HG2  ARG  72           HG2      ARG  72   1.102  -0.480 -10.831
  522    HG3  ARG  72           HG1      ARG  72   0.617  -2.178 -10.909
  523    HD2  ARG  72           HD2      ARG  72  -0.695   0.120 -12.349
  524    HD3  ARG  72           HD1      ARG  72   0.348  -1.104 -13.073
  525    HE   ARG  72           HE       ARG  72  -1.372  -2.738 -12.381
  526   HH11  ARG  72          HH11      ARG  72  -2.285   0.672 -12.870
  527   HH12  ARG  72          HH12      ARG  72  -3.878   0.315 -13.352
  528   HH21  ARG  72          HH21      ARG  72  -3.640  -3.197 -12.961
  529   HH22  ARG  72          HH22      ARG  72  -4.661  -1.892 -13.385
  530    H    GLU  73           HN       GLU  73  -0.522   1.425  -8.373
  531    HA   GLU  73           HA       GLU  73   2.068   2.421  -8.835
  532    HB2  GLU  73           HB2      GLU  73  -0.024   3.523  -9.442
  533    HB3  GLU  73           HB1      GLU  73  -0.450   3.669  -7.756
  534    HG2  GLU  73           HG2      GLU  73   1.231   5.316  -7.408
  535    HG3  GLU  73           HG1      GLU  73   1.918   5.021  -9.014
  536    H    LEU  74           HN       LEU  74   0.182   1.775  -5.965
  537    HA   LEU  74           HA       LEU  74   1.936   2.978  -4.071
  538    HB2  LEU  74           HB2      LEU  74  -0.536   2.202  -3.810
  539    HB3  LEU  74           HB1      LEU  74   0.126   0.614  -3.521
  540    HG   LEU  74           HG       LEU  74   0.616   3.062  -1.800
  541   HD11  LEU  74          HD11      LEU  74  -0.829   1.961  -0.175
  542   HD12  LEU  74          HD12      LEU  74  -1.154   0.680  -1.344
  543   HD13  LEU  74          HD13      LEU  74  -1.679   2.331  -1.675
  544   HD21  LEU  74          HD21      LEU  74   1.315   0.168  -1.296
  545   HD22  LEU  74          HD22      LEU  74   1.539   1.498  -0.160
  546   HD23  LEU  74          HD23      LEU  74   2.463   1.453  -1.662
  547    H    LEU  75           HN       LEU  75   1.555  -0.328  -5.321
  548    HA   LEU  75           HA       LEU  75   3.506  -1.693  -3.900
  549    HB2  LEU  75           HB2      LEU  75   1.825  -2.722  -5.397
  550    HB3  LEU  75           HB1      LEU  75   2.659  -2.055  -6.781
  551    HG   LEU  75           HG       LEU  75   4.629  -3.475  -6.192
  552   HD11  LEU  75          HD11      LEU  75   2.706  -4.708  -4.237
  553   HD12  LEU  75          HD12      LEU  75   4.163  -3.797  -3.838
  554   HD13  LEU  75          HD13      LEU  75   4.292  -5.346  -4.668
  555   HD21  LEU  75          HD21      LEU  75   3.048  -4.147  -7.917
  556   HD22  LEU  75          HD22      LEU  75   2.027  -4.912  -6.700
  557   HD23  LEU  75          HD23      LEU  75   3.639  -5.551  -7.028
  558    H    ASP  76           HN       ASP  76   3.718   0.000  -6.981
  559    HA   ASP  76           HA       ASP  76   6.384  -0.314  -7.636
  560    HB2  ASP  76           HB2      ASP  76   4.968   0.708  -9.220
  561    HB3  ASP  76           HB1      ASP  76   4.502   1.982  -8.100
  562    H    LEU  77           HN       LEU  77   4.962   2.249  -5.666
  563    HA   LEU  77           HA       LEU  77   7.237   3.739  -5.098
  564    HB2  LEU  77           HB2      LEU  77   5.083   4.576  -4.536
  565    HB3  LEU  77           HB1      LEU  77   4.746   3.210  -3.497
  566    HG   LEU  77           HG       LEU  77   6.472   4.021  -1.919
  567   HD11  LEU  77          HD11      LEU  77   7.868   5.282  -3.455
  568   HD12  LEU  77          HD12      LEU  77   7.342   6.270  -2.100
  569   HD13  LEU  77          HD13      LEU  77   6.575   6.465  -3.680
  570   HD21  LEU  77          HD21      LEU  77   4.287   5.979  -2.585
  571   HD22  LEU  77          HD22      LEU  77   5.148   5.871  -1.049
  572   HD23  LEU  77          HD23      LEU  77   4.129   4.534  -1.585
  573    H    ILE  78           HN       ILE  78   5.874   1.013  -3.293
  574    HA   ILE  78           HA       ILE  78   7.917   1.072  -1.325
  575    HB   ILE  78           HB       ILE  78   6.136  -1.293  -1.981
  576   HG12  ILE  78          HG12      ILE  78   5.710   1.010  -0.061
  577   HG13  ILE  78          HG11      ILE  78   4.787   0.699  -1.528
  578   HG21  ILE  78          HG21      ILE  78   8.067  -1.836  -0.575
  579   HG22  ILE  78          HG22      ILE  78   6.584  -1.886   0.383
  580   HG23  ILE  78          HG23      ILE  78   7.667  -0.503   0.509
  581   HD11  ILE  78          HD11      ILE  78   4.886  -1.064   0.904
  582   HD12  ILE  78          HD12      ILE  78   3.946  -1.373  -0.555
  583   HD13  ILE  78          HD13      ILE  78   3.570   0.020   0.462
  584    H    ASN  79           HN       ASN  79   7.414  -0.894  -4.243
  585    HA   ASN  79           HA       ASN  79   9.694  -2.517  -3.895
  586    HB2  ASN  79           HB2      ASN  79   8.323  -1.717  -6.475
  587    HB3  ASN  79           HB1      ASN  79   9.623  -2.887  -6.388
  588   HD21  ASN  79          HD21      ASN  79   8.532  -3.977  -3.816
  589   HD22  ASN  79          HD22      ASN  79   7.168  -4.935  -4.294
  590    H    GLY  80           HN       GLY  80   9.321   0.686  -5.244
  591    HA2  GLY  80           HA2      GLY  80  11.899   0.986  -6.309
  592    HA3  GLY  80           HA1      GLY  80  10.864   2.289  -5.732
  593    H    ALA  81           HN       ALA  81  10.607   1.784  -3.118
  594    HA   ALA  81           HA       ALA  81  13.069   2.657  -2.021
  595    HB1  ALA  81           HB1      ALA  81  10.659   1.528  -0.583
  596    HB2  ALA  81           HB2      ALA  81  10.897   3.222  -1.017
  597    HB3  ALA  81           HB3      ALA  81  11.964   2.455   0.158
  598    H    LEU  82           HN       LEU  82  11.463  -0.459  -2.096
  599    HA   LEU  82           HA       LEU  82  13.303  -1.823  -0.451
  600    HB2  LEU  82           HB2      LEU  82  11.263  -2.789  -2.410
  601    HB3  LEU  82           HB1      LEU  82  12.285  -3.886  -1.499
  602    HG   LEU  82           HG       LEU  82  10.402  -1.881  -0.261
  603   HD11  LEU  82          HD11      LEU  82   9.049  -3.828   0.287
  604   HD12  LEU  82          HD12      LEU  82  10.187  -4.858  -0.587
  605   HD13  LEU  82          HD13      LEU  82   9.231  -3.648  -1.462
  606   HD21  LEU  82          HD21      LEU  82  12.337  -2.410   1.117
  607   HD22  LEU  82          HD22      LEU  82  12.021  -4.133   0.911
  608   HD23  LEU  82          HD23      LEU  82  10.867  -3.121   1.784
  609    H    ALA  83           HN       ALA  83  13.519  -0.884  -3.716
  610    HA   ALA  83           HA       ALA  83  15.374  -2.876  -4.543
  611    HB1  ALA  83           HB1      ALA  83  15.900  -1.347  -6.393
  612    HB2  ALA  83           HB2      ALA  83  15.003  -0.061  -5.587
  613    HB3  ALA  83           HB3      ALA  83  14.157  -1.496  -6.171
  614    H    GLU  84           HN       GLU  84  15.561  -0.041  -2.615
  615    HA   GLU  84           HA       GLU  84  18.476   0.095  -2.740
  616    HB2  GLU  84           HB2      GLU  84  16.543   1.733  -1.089
  617    HB3  GLU  84           HB1      GLU  84  18.243   2.076  -1.356
  618    HG2  GLU  84           HG2      GLU  84  16.042   2.181  -3.404
  619    HG3  GLU  84           HG1      GLU  84  16.835   3.557  -2.649
  620    H    ALA  85           HN       ALA  85  16.120  -1.605  -1.130
  621    HA   ALA  85           HA       ALA  85  17.457  -1.584   1.456
  622    HB1  ALA  85           HB1      ALA  85  15.036  -1.216   1.449
  623    HB2  ALA  85           HB2      ALA  85  15.460  -2.708   2.290
  624    HB3  ALA  85           HB3      ALA  85  14.801  -2.774   0.657
  625    H    ALA  86           HN       ALA  86  18.466  -3.291   2.241
  626    HA   ALA  86           HA       ALA  86  18.184  -5.930   1.235
  627    HB1  ALA  86           HB1      ALA  86  20.536  -6.196   0.520
  628    HB2  ALA  86           HB2      ALA  86  20.796  -4.466   0.751
  629    HB3  ALA  86           HB3      ALA  86  19.691  -5.032  -0.502
  630    H28  SXV  87          H28A      SXV  87  -3.664  12.213   2.241
  631   H28A  SXV  87          H28B      SXV  87  -4.597  13.361   1.288
  632    H30  SXV  87          H30C      SXV  87  -4.902  13.476   4.864
  633   H30A  SXV  87          H30A      SXV  87  -3.500  14.488   5.213
  634   H30B  SXV  87          H30B      SXV  87  -3.274  12.815   4.700
  635    H31  SXV  87          H31C      SXV  87  -1.998  15.241   3.299
  636   H31A  SXV  87          H31A      SXV  87  -2.372  14.702   1.662
  637   H31B  SXV  87          H31B      SXV  87  -1.800  13.543   2.861
  638    H32  SXV  87          H32A      SXV  87  -5.716  15.287   3.302
  639   HO33  SXV  87          H33A      SXV  87  -3.918  16.023   1.217
  640   HN36  SXV  87          H36A      SXV  87  -4.348  17.680   1.969
  641    H37  SXV  87          H37B      SXV  87  -2.918  18.813   4.274
  642   H37A  SXV  87          H37A      SXV  87  -4.210  19.735   3.535
  643    H38  SXV  87          H38B      SXV  87  -2.895  19.949   1.500
  644   H38A  SXV  87          H38A      SXV  87  -1.798  18.671   2.087
  645   HN41  SXV  87          H41A      SXV  87  -0.356  20.306   1.321
  646    H42  SXV  87          H42B      SXV  87   0.878  21.557   3.594
  647   H42A  SXV  87          H42A      SXV  87   0.375  22.675   2.326
  648    H43  SXV  87          H43B      SXV  87   2.171  20.290   1.946
  649   H43A  SXV  87          H43A      SXV  87   1.736  21.467   0.714
  650    H1   SXV  87           H1B      SXV  87   4.205  21.921   0.084
  651    H1A  SXV  87           H1A      SXV  87   5.494  22.300   1.240
  652    H2   SXV  87           H2A      SXV  87   4.060  19.670   1.196
  653    H2A  SXV  87           H2B      SXV  87   5.371  20.167   2.250
  654    H4   SXV  87           H4C      SXV  87   6.945  21.603  -0.297
  655    H4A  SXV  87           H4A      SXV  87   7.839  20.136  -0.716
  656    H4B  SXV  87           H4B      SXV  87   7.768  20.678   0.967
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  20.986  -6.958  -2.185
    2    H2   MET   1           HT2      MET   1  21.655  -8.481  -2.409
    3    H3   MET   1           HT3      MET   1  20.866  -8.071  -0.966
    4    HA   MET   1           HA       MET   1  19.445  -8.007  -3.520
    5    HB2  MET   1           HB2      MET   1  19.506 -10.264  -1.487
    6    HB3  MET   1           HB1      MET   1  18.306 -10.122  -2.760
    7    HG2  MET   1           HG2      MET   1  20.091 -10.297  -4.440
    8    HG3  MET   1           HG1      MET   1  21.271 -10.470  -3.145
    9    HE1  MET   1           HE1      MET   1  21.103 -14.062  -4.756
   10    HE2  MET   1           HE2      MET   1  22.148 -12.706  -4.331
   11    HE3  MET   1           HE3      MET   1  20.932 -12.521  -5.596
   12    H    ALA   2           HN       ALA   2  17.114  -7.948  -3.130
   13    HA   ALA   2           HA       ALA   2  16.457  -6.831  -0.502
   14    HB1  ALA   2           HB1      ALA   2  16.713  -5.003  -2.108
   15    HB2  ALA   2           HB2      ALA   2  15.027  -5.176  -1.621
   16    HB3  ALA   2           HB3      ALA   2  15.560  -5.783  -3.190
   17    H    THR   3           HN       THR   3  14.357  -7.234   0.178
   18    HA   THR   3           HA       THR   3  13.069  -9.539  -1.065
   19    HB   THR   3           HB       THR   3  12.383  -8.061   1.416
   20    HG1  THR   3           HG1      THR   3  14.619  -9.224   1.070
   21   HG21  THR   3          HG21      THR   3  10.633  -9.555   0.620
   22   HG22  THR   3          HG22      THR   3  11.341 -10.216   2.095
   23   HG23  THR   3          HG23      THR   3  11.785 -10.887   0.526
   24    H    LEU   4           HN       LEU   4  11.753  -8.847  -2.730
   25    HA   LEU   4           HA       LEU   4  10.323  -6.345  -2.452
   26    HB2  LEU   4           HB2      LEU   4  10.285  -8.358  -4.698
   27    HB3  LEU   4           HB1      LEU   4   9.539  -6.774  -4.731
   28    HG   LEU   4           HG       LEU   4  12.499  -7.331  -4.598
   29   HD11  LEU   4          HD11      LEU   4  11.541  -7.841  -6.763
   30   HD12  LEU   4          HD12      LEU   4  12.526  -6.379  -6.850
   31   HD13  LEU   4          HD13      LEU   4  10.769  -6.256  -6.813
   32   HD21  LEU   4          HD21      LEU   4  12.762  -4.913  -4.899
   33   HD22  LEU   4          HD22      LEU   4  11.923  -5.286  -3.393
   34   HD23  LEU   4          HD23      LEU   4  11.013  -4.707  -4.786
   35    H    LEU   5           HN       LEU   5   8.468  -6.277  -1.483
   36    HA   LEU   5           HA       LEU   5   6.996  -8.663  -0.987
   37    HB2  LEU   5           HB2      LEU   5   5.423  -7.264   0.270
   38    HB3  LEU   5           HB1      LEU   5   7.071  -7.007   0.769
   39    HG   LEU   5           HG       LEU   5   6.982  -4.860  -0.656
   40   HD11  LEU   5          HD11      LEU   5   4.948  -5.341  -1.917
   41   HD12  LEU   5          HD12      LEU   5   4.775  -3.870  -0.962
   42   HD13  LEU   5          HD13      LEU   5   4.017  -5.368  -0.419
   43   HD21  LEU   5          HD21      LEU   5   7.031  -4.841   1.734
   44   HD22  LEU   5          HD22      LEU   5   5.311  -5.198   1.803
   45   HD23  LEU   5          HD23      LEU   5   5.856  -3.644   1.182
   46    H    THR   6           HN       THR   6   4.962  -9.174  -1.704
   47    HA   THR   6           HA       THR   6   4.399  -7.959  -4.285
   48    HB   THR   6           HB       THR   6   3.328 -10.133  -4.884
   49    HG1  THR   6           HG1      THR   6   4.242 -10.781  -2.273
   50   HG21  THR   6          HG21      THR   6   5.448 -11.332  -5.230
   51   HG22  THR   6          HG22      THR   6   6.234 -10.266  -4.067
   52   HG23  THR   6          HG23      THR   6   5.616  -9.613  -5.586
   53    H    THR   7           HN       THR   7   1.976  -8.999  -4.807
   54    HA   THR   7           HA       THR   7   0.087  -7.291  -3.871
   55    HB   THR   7           HB       THR   7  -1.411  -9.291  -4.597
   56    HG1  THR   7           HG1      THR   7  -0.162 -11.095  -4.768
   57   HG21  THR   7          HG21      THR   7   0.636  -8.063  -6.453
   58   HG22  THR   7          HG22      THR   7  -0.901  -7.326  -5.983
   59   HG23  THR   7          HG23      THR   7  -0.886  -8.803  -6.945
   60    H    ASP   8           HN       ASP   8   0.632 -10.636  -2.841
   61    HA   ASP   8           HA       ASP   8  -1.384 -10.823  -0.918
   62    HB2  ASP   8           HB2      ASP   8   1.240 -12.341  -1.012
   63    HB3  ASP   8           HB1      ASP   8  -0.253 -12.865  -0.244
   64    H    ASP   9           HN       ASP   9   1.971  -9.894  -0.732
   65    HA   ASP   9           HA       ASP   9   2.159  -9.699   2.093
   66    HB2  ASP   9           HB2      ASP   9   3.764  -8.222  -0.012
   67    HB3  ASP   9           HB1      ASP   9   4.169  -8.327   1.692
   68    H    LEU  10           HN       LEU  10   1.557  -7.398  -0.466
   69    HA   LEU  10           HA       LEU  10   1.278  -5.086   1.086
   70    HB2  LEU  10           HB2      LEU  10   1.669  -4.982  -1.289
   71    HB3  LEU  10           HB1      LEU  10   0.172  -5.823  -1.620
   72    HG   LEU  10           HG       LEU  10  -1.102  -3.870  -0.846
   73   HD11  LEU  10          HD11      LEU  10   0.035  -1.768  -0.363
   74   HD12  LEU  10          HD12      LEU  10   1.594  -2.582  -0.483
   75   HD13  LEU  10          HD13      LEU  10   0.467  -3.018   0.799
   76   HD21  LEU  10          HD21      LEU  10  -0.523  -2.361  -2.683
   77   HD22  LEU  10          HD22      LEU  10  -0.504  -4.042  -3.209
   78   HD23  LEU  10          HD23      LEU  10   1.011  -3.202  -2.892
   79    H    ARG  11           HN       ARG  11  -1.153  -7.391  -0.089
   80    HA   ARG  11           HA       ARG  11  -3.385  -5.940   0.753
   81    HB2  ARG  11           HB2      ARG  11  -4.730  -7.819   0.263
   82    HB3  ARG  11           HB1      ARG  11  -3.343  -7.997  -0.794
   83    HG2  ARG  11           HG2      ARG  11  -2.397  -9.662   0.624
   84    HG3  ARG  11           HG1      ARG  11  -3.696  -9.439   1.799
   85    HD2  ARG  11           HD2      ARG  11  -5.318 -10.129   0.084
   86    HD3  ARG  11           HD1      ARG  11  -3.980 -10.424  -1.031
   87    HE   ARG  11           HE       ARG  11  -4.349 -11.813   1.521
   88   HH11  ARG  11          HH11      ARG  11  -3.529 -11.851  -1.907
   89   HH12  ARG  11          HH12      ARG  11  -2.875 -13.431  -1.884
   90   HH21  ARG  11          HH21      ARG  11  -3.643 -14.037   1.511
   91   HH22  ARG  11          HH22      ARG  11  -3.035 -14.743   0.086
   92    H    ARG  12           HN       ARG  12  -1.363  -8.191   2.537
   93    HA   ARG  12           HA       ARG  12  -3.053  -8.485   4.772
   94    HB2  ARG  12           HB2      ARG  12  -0.047  -8.590   4.659
   95    HB3  ARG  12           HB1      ARG  12  -0.993  -9.045   6.066
   96    HG2  ARG  12           HG2      ARG  12  -2.057 -10.819   4.738
   97    HG3  ARG  12           HG1      ARG  12  -1.034 -10.382   3.368
   98    HD2  ARG  12           HD2      ARG  12  -0.116 -11.390   6.063
   99    HD3  ARG  12           HD1      ARG  12  -0.067 -12.270   4.535
  100    HE   ARG  12           HE       ARG  12   1.499  -9.837   5.065
  101   HH11  ARG  12          HH11      ARG  12   1.364 -13.178   3.864
  102   HH12  ARG  12          HH12      ARG  12   2.869 -13.113   3.090
  103   HH21  ARG  12          HH21      ARG  12   3.568  -9.757   4.091
  104   HH22  ARG  12          HH22      ARG  12   4.166 -11.063   3.162
  105    H    ALA  13           HN       ALA  13  -0.804  -5.937   3.909
  106    HA   ALA  13           HA       ALA  13  -0.929  -4.713   6.536
  107    HB1  ALA  13           HB1      ALA  13   0.410  -2.937   5.568
  108    HB2  ALA  13           HB2      ALA  13   0.192  -3.634   3.962
  109    HB3  ALA  13           HB3      ALA  13   1.096  -4.517   5.194
  110    H    LEU  14           HN       LEU  14  -2.461  -4.457   3.475
  111    HA   LEU  14           HA       LEU  14  -3.761  -1.989   3.874
  112    HB2  LEU  14           HB2      LEU  14  -3.469  -3.544   1.749
  113    HB3  LEU  14           HB1      LEU  14  -4.962  -4.265   2.311
  114    HG   LEU  14           HG       LEU  14  -6.075  -2.074   2.117
  115   HD11  LEU  14          HD11      LEU  14  -3.445  -1.196   0.931
  116   HD12  LEU  14          HD12      LEU  14  -4.126  -0.659   2.467
  117   HD13  LEU  14          HD13      LEU  14  -4.937  -0.253   0.953
  118   HD21  LEU  14          HD21      LEU  14  -6.117  -1.982  -0.318
  119   HD22  LEU  14          HD22      LEU  14  -6.149  -3.651   0.252
  120   HD23  LEU  14          HD23      LEU  14  -4.655  -2.965  -0.387
  121    H    VAL  15           HN       VAL  15  -4.537  -5.349   4.532
  122    HA   VAL  15           HA       VAL  15  -6.980  -5.131   5.885
  123    HB   VAL  15           HB       VAL  15  -4.674  -7.089   6.220
  124   HG11  VAL  15          HG11      VAL  15  -6.227  -8.570   7.401
  125   HG12  VAL  15          HG12      VAL  15  -7.453  -7.303   7.373
  126   HG13  VAL  15          HG13      VAL  15  -5.965  -7.072   8.295
  127   HG21  VAL  15          HG21      VAL  15  -5.771  -7.152   4.054
  128   HG22  VAL  15          HG22      VAL  15  -7.340  -7.337   4.836
  129   HG23  VAL  15          HG23      VAL  15  -6.129  -8.614   4.972
  130    H    GLU  16           HN       GLU  16  -3.641  -5.001   7.121
  131    HA   GLU  16           HA       GLU  16  -4.194  -4.589   9.838
  132    HB2  GLU  16           HB2      GLU  16  -1.751  -3.660   8.278
  133    HB3  GLU  16           HB1      GLU  16  -1.895  -3.690  10.023
  134    HG2  GLU  16           HG2      GLU  16  -2.129  -6.096   9.996
  135    HG3  GLU  16           HG1      GLU  16  -2.061  -6.098   8.236
  136    H    SER  17           HN       SER  17  -4.743  -2.440   7.289
  137    HA   SER  17           HA       SER  17  -4.619  -0.081   9.031
  138    HB2  SER  17           HB2      SER  17  -5.114  -0.245   6.066
  139    HB3  SER  17           HB1      SER  17  -4.697   1.191   7.009
  140    HG   SER  17           HG       SER  17  -3.057  -1.112   6.786
  141    H    ALA  18           HN       ALA  18  -6.764  -2.425   8.199
  142    HA   ALA  18           HA       ALA  18  -9.059  -0.589   8.106
  143    HB1  ALA  18           HB1      ALA  18 -10.279  -2.363   6.969
  144    HB2  ALA  18           HB2      ALA  18  -8.867  -3.413   7.077
  145    HB3  ALA  18           HB3      ALA  18  -8.804  -1.951   6.094
  146    H    GLY  19           HN       GLY  19  -8.013  -3.760   9.319
  147    HA2  GLY  19           HA2      GLY  19  -8.334  -4.527  11.513
  148    HA3  GLY  19           HA1      GLY  19  -9.541  -3.272  11.761
  149    H    GLU  20           HN       GLU  20 -11.336  -3.576   9.922
  150    HA   GLU  20           HA       GLU  20 -12.386  -6.290  10.290
  151    HB2  GLU  20           HB2      GLU  20 -13.770  -4.347  11.089
  152    HB3  GLU  20           HB1      GLU  20 -13.844  -3.773   9.430
  153    HG2  GLU  20           HG2      GLU  20 -14.939  -5.909   8.803
  154    HG3  GLU  20           HG1      GLU  20 -14.981  -6.335  10.512
  155    H    THR  21           HN       THR  21 -11.957  -7.555   8.605
  156    HA   THR  21           HA       THR  21 -12.153  -6.467   5.904
  157    HB   THR  21           HB       THR  21 -10.056  -7.913   5.418
  158    HG1  THR  21           HG1      THR  21  -9.388  -8.825   7.217
  159   HG21  THR  21          HG21      THR  21  -8.583  -5.981   5.865
  160   HG22  THR  21          HG22      THR  21  -9.834  -5.274   6.888
  161   HG23  THR  21          HG23      THR  21 -10.117  -5.477   5.158
  162    H    ASP  22           HN       ASP  22 -14.066  -8.138   7.118
  163    HA   ASP  22           HA       ASP  22 -13.537 -10.822   6.101
  164    HB2  ASP  22           HB2      ASP  22 -16.073  -9.679   7.329
  165    HB3  ASP  22           HB1      ASP  22 -15.888 -11.342   6.799
  166    H    GLY  23           HN       GLY  23 -15.560  -8.050   5.470
  167    HA2  GLY  23           HA2      GLY  23 -16.340  -9.197   2.885
  168    HA3  GLY  23           HA1      GLY  23 -17.130  -7.844   3.698
  169    H    THR  24           HN       THR  24 -13.799  -8.590   2.928
  170    HA   THR  24           HA       THR  24 -13.628  -6.081   1.436
  171    HB   THR  24           HB       THR  24 -11.450  -7.217   3.224
  172    HG1  THR  24           HG1      THR  24 -13.360  -5.151   3.615
  173   HG21  THR  24          HG21      THR  24 -10.647  -5.808   1.362
  174   HG22  THR  24          HG22      THR  24 -10.415  -5.001   2.914
  175   HG23  THR  24          HG23      THR  24 -11.748  -4.525   1.860
  176    H    ASP  25           HN       ASP  25 -14.034  -7.443  -0.338
  177    HA   ASP  25           HA       ASP  25 -12.242  -9.579  -0.977
  178    HB2  ASP  25           HB2      ASP  25 -13.397  -9.808  -3.107
  179    HB3  ASP  25           HB1      ASP  25 -14.594  -9.565  -1.850
  180    H    LEU  26           HN       LEU  26 -10.300  -9.366  -1.560
  181    HA   LEU  26           HA       LEU  26  -9.476  -7.078  -3.184
  182    HB2  LEU  26           HB2      LEU  26  -9.100  -6.761  -0.709
  183    HB3  LEU  26           HB1      LEU  26  -8.027  -8.142  -0.766
  184    HG   LEU  26           HG       LEU  26  -6.596  -6.897  -2.349
  185   HD11  LEU  26          HD11      LEU  26  -8.294  -5.377  -3.243
  186   HD12  LEU  26          HD12      LEU  26  -6.943  -4.470  -2.560
  187   HD13  LEU  26          HD13      LEU  26  -8.454  -4.619  -1.660
  188   HD21  LEU  26          HD21      LEU  26  -5.679  -5.399  -0.652
  189   HD22  LEU  26          HD22      LEU  26  -6.109  -6.971   0.027
  190   HD23  LEU  26          HD23      LEU  26  -7.152  -5.575   0.299
  191    H    SER  27           HN       SER  27  -8.398 -10.092  -1.604
  192    HA   SER  27           HA       SER  27  -7.362 -11.953  -2.316
  193    HB2  SER  27           HB2      SER  27  -9.375 -11.924  -3.856
  194    HB3  SER  27           HB1      SER  27  -8.370 -11.152  -5.075
  195    HG   SER  27           HG       SER  27  -8.109 -13.168  -5.618
  196    H    GLY  28           HN       GLY  28  -5.959 -12.571  -4.657
  197    HA2  GLY  28           HA2      GLY  28  -3.601 -10.892  -4.398
  198    HA3  GLY  28           HA1      GLY  28  -3.715 -12.433  -5.255
  199    H    ASP  29           HN       ASP  29  -2.787  -9.689  -5.996
  200    HA   ASP  29           HA       ASP  29  -2.721  -8.276  -7.714
  201    HB2  ASP  29           HB2      ASP  29  -4.188 -10.462  -9.199
  202    HB3  ASP  29           HB1      ASP  29  -3.603  -8.990  -9.969
  203    H    PHE  30           HN       PHE  30  -3.650  -6.582  -7.116
  204    HA   PHE  30           HA       PHE  30  -6.433  -6.130  -7.817
  205    HB2  PHE  30           HB2      PHE  30  -6.782  -5.092  -5.546
  206    HB3  PHE  30           HB1      PHE  30  -6.621  -6.841  -5.536
  207    HD1  PHE  30           HD2      PHE  30  -4.662  -7.895  -4.545
  208    HD2  PHE  30           HD1      PHE  30  -5.106  -3.661  -4.539
  209    HE1  PHE  30           HE2      PHE  30  -2.896  -7.715  -2.853
  210    HE2  PHE  30           HE1      PHE  30  -3.340  -3.480  -2.836
  211    HZ   PHE  30           HZ       PHE  30  -2.234  -5.508  -1.996
  212    H    LEU  31           HN       LEU  31  -3.886  -5.303  -8.874
  213    HA   LEU  31           HA       LEU  31  -3.166  -2.720  -7.859
  214    HB2  LEU  31           HB2      LEU  31  -2.240  -4.393 -10.155
  215    HB3  LEU  31           HB1      LEU  31  -1.788  -2.707 -10.074
  216    HG   LEU  31           HG       LEU  31  -0.661  -3.103  -7.929
  217   HD11  LEU  31          HD11      LEU  31  -0.250  -5.336  -7.119
  218   HD12  LEU  31          HD12      LEU  31  -1.339  -5.994  -8.348
  219   HD13  LEU  31          HD13      LEU  31  -1.968  -4.935  -7.078
  220   HD21  LEU  31          HD21      LEU  31   0.206  -4.953 -10.136
  221   HD22  LEU  31          HD22      LEU  31   1.209  -4.414  -8.792
  222   HD23  LEU  31          HD23      LEU  31   0.613  -3.245  -9.974
  223    H    ASP  32           HN       ASP  32  -5.480  -3.821 -10.009
  224    HA   ASP  32           HA       ASP  32  -5.651  -1.285 -11.435
  225    HB2  ASP  32           HB2      ASP  32  -7.339  -2.370 -12.826
  226    HB3  ASP  32           HB1      ASP  32  -5.878  -3.348 -12.741
  227    H    LEU  33           HN       LEU  33  -6.710  -2.353  -8.514
  228    HA   LEU  33           HA       LEU  33  -9.427  -1.401  -8.678
  229    HB2  LEU  33           HB2      LEU  33  -7.745  -2.217  -6.312
  230    HB3  LEU  33           HB1      LEU  33  -9.389  -1.630  -6.167
  231    HG   LEU  33           HG       LEU  33  -8.518  -4.164  -7.566
  232   HD11  LEU  33          HD11      LEU  33  -9.703  -5.277  -5.760
  233   HD12  LEU  33          HD12      LEU  33 -10.124  -3.722  -5.054
  234   HD13  LEU  33          HD13      LEU  33  -8.441  -4.237  -5.092
  235   HD21  LEU  33          HD21      LEU  33 -10.914  -4.590  -7.820
  236   HD22  LEU  33          HD22      LEU  33 -10.430  -3.122  -8.675
  237   HD23  LEU  33          HD23      LEU  33 -11.261  -3.005  -7.124
  238    H    ARG  34           HN       ARG  34 -10.245   0.366  -7.423
  239    HA   ARG  34           HA       ARG  34  -8.269   2.524  -7.205
  240    HB2  ARG  34           HB2      ARG  34 -11.269   2.721  -7.559
  241    HB3  ARG  34           HB1      ARG  34 -10.126   4.060  -7.560
  242    HG2  ARG  34           HG2      ARG  34 -10.228   1.826  -9.541
  243    HG3  ARG  34           HG1      ARG  34 -10.827   3.468  -9.820
  244    HD2  ARG  34           HD2      ARG  34  -8.609   4.359  -9.576
  245    HD3  ARG  34           HD1      ARG  34  -7.967   2.782  -9.126
  246    HE   ARG  34           HE       ARG  34  -9.014   2.303 -11.536
  247   HH11  ARG  34          HH11      ARG  34  -6.978   4.936 -10.400
  248   HH12  ARG  34          HH12      ARG  34  -6.021   5.060 -11.771
  249   HH21  ARG  34          HH21      ARG  34  -7.711   2.456 -13.555
  250   HH22  ARG  34          HH22      ARG  34  -6.464   3.635 -13.624
  251    H    PHE  35           HN       PHE  35  -7.984   3.392  -5.246
  252    HA   PHE  35           HA       PHE  35  -8.928   1.989  -2.979
  253    HB2  PHE  35           HB2      PHE  35  -7.590   4.684  -3.112
  254    HB3  PHE  35           HB1      PHE  35  -7.793   3.703  -1.666
  255    HD1  PHE  35           HD2      PHE  35  -6.797   1.302  -1.802
  256    HD2  PHE  35           HD1      PHE  35  -5.671   4.542  -4.305
  257    HE1  PHE  35           HE2      PHE  35  -4.649   0.199  -2.258
  258    HE2  PHE  35           HE1      PHE  35  -3.542   3.453  -4.776
  259    HZ   PHE  35           HZ       PHE  35  -3.016   1.277  -3.744
  260    H    GLU  36           HN       GLU  36  -9.752   5.048  -4.444
  261    HA   GLU  36           HA       GLU  36 -11.451   5.963  -2.381
  262    HB2  GLU  36           HB2      GLU  36 -10.416   7.235  -4.390
  263    HB3  GLU  36           HB1      GLU  36 -11.768   6.619  -5.315
  264    HG2  GLU  36           HG2      GLU  36 -12.069   8.322  -2.845
  265    HG3  GLU  36           HG1      GLU  36 -11.978   8.975  -4.473
  266    H    ASP  37           HN       ASP  37 -11.906   3.980  -5.188
  267    HA   ASP  37           HA       ASP  37 -14.745   3.820  -5.066
  268    HB2  ASP  37           HB2      ASP  37 -13.582   3.495  -7.164
  269    HB3  ASP  37           HB1      ASP  37 -12.720   2.113  -6.501
  270    H    ILE  38           HN       ILE  38 -12.130   1.750  -3.862
  271    HA   ILE  38           HA       ILE  38 -14.064  -0.191  -2.911
  272    HB   ILE  38           HB       ILE  38 -12.160  -1.534  -2.098
  273   HG12  ILE  38          HG12      ILE  38 -10.442   0.687  -3.253
  274   HG13  ILE  38          HG11      ILE  38 -10.620   0.322  -1.545
  275   HG21  ILE  38          HG21      ILE  38 -12.984  -1.851  -4.326
  276   HG22  ILE  38          HG22      ILE  38 -11.221  -2.044  -4.319
  277   HG23  ILE  38          HG23      ILE  38 -11.957  -0.545  -4.917
  278   HD11  ILE  38          HD11      ILE  38  -9.568  -1.852  -1.895
  279   HD12  ILE  38          HD12      ILE  38  -8.522  -0.535  -2.428
  280   HD13  ILE  38          HD13      ILE  38  -9.404  -1.498  -3.613
  281    H    GLY  39           HN       GLY  39 -13.863   2.504  -1.783
  282    HA2  GLY  39           HA2      GLY  39 -14.407   3.450   0.265
  283    HA3  GLY  39           HA1      GLY  39 -14.644   1.815   0.858
  284    H    TYR  40           HN       TYR  40 -11.697   3.255  -0.411
  285    HA   TYR  40           HA       TYR  40 -10.470   2.887   2.217
  286    HB2  TYR  40           HB2      TYR  40  -9.648   2.051  -0.447
  287    HB3  TYR  40           HB1      TYR  40  -8.413   2.967   0.403
  288    HD1  TYR  40           HD2      TYR  40 -10.542  -0.039   0.555
  289    HD2  TYR  40           HD1      TYR  40  -7.209   2.040   2.162
  290    HE1  TYR  40           HE2      TYR  40  -9.899  -2.055   1.784
  291    HE2  TYR  40           HE1      TYR  40  -6.515   0.088   3.388
  292    HH   TYR  40           HH       TYR  40  -7.468  -2.038   4.228
  293    H    ASP  41           HN       ASP  41 -10.390   4.865   3.063
  294    HA   ASP  41           HA       ASP  41  -9.719   7.178   1.509
  295    HB2  ASP  41           HB2      ASP  41  -9.671   6.663   4.500
  296    HB3  ASP  41           HB1      ASP  41  -9.129   8.181   3.803
  297    H    SER  42           HN       SER  42  -7.665   8.213   1.455
  298    HA   SER  42           HA       SER  42  -5.593   6.250   1.342
  299    HB2  SER  42           HB2      SER  42  -4.162   8.104   0.501
  300    HB3  SER  42           HB1      SER  42  -5.673   7.946  -0.395
  301    H    LEU  43           HN       LEU  43  -6.792   8.185   3.694
  302    HA   LEU  43           HA       LEU  43  -4.522   8.584   5.352
  303    HB2  LEU  43           HB2      LEU  43  -7.418   8.204   6.125
  304    HB3  LEU  43           HB1      LEU  43  -6.166   8.860   7.159
  305    HG   LEU  43           HG       LEU  43  -7.161  10.154   4.619
  306   HD11  LEU  43          HD11      LEU  43  -8.193  11.790   6.104
  307   HD12  LEU  43          HD12      LEU  43  -7.680  10.840   7.500
  308   HD13  LEU  43          HD13      LEU  43  -8.849  10.173   6.361
  309   HD21  LEU  43          HD21      LEU  43  -5.269  11.155   6.745
  310   HD22  LEU  43          HD22      LEU  43  -5.867  12.093   5.377
  311   HD23  LEU  43          HD23      LEU  43  -4.828  10.693   5.103
  312    H    ALA  44           HN       ALA  44  -6.578   5.853   4.647
  313    HA   ALA  44           HA       ALA  44  -5.568   4.226   6.786
  314    HB1  ALA  44           HB1      ALA  44  -7.047   3.457   4.256
  315    HB2  ALA  44           HB2      ALA  44  -7.786   3.775   5.823
  316    HB3  ALA  44           HB3      ALA  44  -6.719   2.385   5.618
  317    H    LEU  45           HN       LEU  45  -4.967   4.783   3.393
  318    HA   LEU  45           HA       LEU  45  -3.148   2.764   2.895
  319    HB2  LEU  45           HB2      LEU  45  -3.306   5.527   1.698
  320    HB3  LEU  45           HB1      LEU  45  -2.291   4.252   1.063
  321    HG   LEU  45           HG       LEU  45  -5.292   4.085   1.258
  322   HD11  LEU  45          HD11      LEU  45  -4.568   5.817  -0.319
  323   HD12  LEU  45          HD12      LEU  45  -5.234   4.416  -1.163
  324   HD13  LEU  45          HD13      LEU  45  -3.489   4.657  -1.092
  325   HD21  LEU  45          HD21      LEU  45  -3.233   2.408  -0.125
  326   HD22  LEU  45          HD22      LEU  45  -4.976   2.174  -0.212
  327   HD23  LEU  45          HD23      LEU  45  -4.128   1.938   1.324
  328    H    MET  46           HN       MET  46  -2.742   6.013   4.173
  329    HA   MET  46           HA       MET  46   0.071   6.187   4.303
  330    HB2  MET  46           HB2      MET  46  -2.010   7.465   6.087
  331    HB3  MET  46           HB1      MET  46  -0.311   7.899   6.080
  332    HG2  MET  46           HG2      MET  46  -0.486   8.716   3.793
  333    HG3  MET  46           HG1      MET  46  -2.150   8.140   3.716
  334    HE1  MET  46           HE1      MET  46  -2.548  12.035   3.701
  335    HE2  MET  46           HE2      MET  46  -2.888  10.528   2.849
  336    HE3  MET  46           HE3      MET  46  -1.230  11.112   2.977
  337    H    GLU  47           HN       GLU  47  -2.194   4.457   6.242
  338    HA   GLU  47           HA       GLU  47  -0.307   4.007   8.389
  339    HB2  GLU  47           HB2      GLU  47  -2.807   4.321   8.729
  340    HB3  GLU  47           HB1      GLU  47  -3.034   2.763   7.956
  341    HG2  GLU  47           HG2      GLU  47  -1.750   1.695   9.720
  342    HG3  GLU  47           HG1      GLU  47  -1.495   3.262  10.489
  343    H    THR  48           HN       THR  48  -1.834   2.355   5.666
  344    HA   THR  48           HA       THR  48  -0.886  -0.240   5.859
  345    HB   THR  48           HB       THR  48  -1.107   1.442   3.342
  346    HG1  THR  48           HG1      THR  48  -2.964   0.491   5.113
  347   HG21  THR  48          HG21      THR  48  -1.634  -0.692   2.243
  348   HG22  THR  48          HG22      THR  48  -1.408  -1.536   3.773
  349   HG23  THR  48          HG23      THR  48  -0.035  -0.748   2.991
  350    H    ALA  49           HN       ALA  49   0.549   2.512   4.154
  351    HA   ALA  49           HA       ALA  49   2.918   1.294   3.371
  352    HB1  ALA  49           HB1      ALA  49   2.384   4.214   3.894
  353    HB2  ALA  49           HB2      ALA  49   2.042   3.358   2.391
  354    HB3  ALA  49           HB3      ALA  49   3.709   3.554   2.936
  355    H    ALA  50           HN       ALA  50   2.079   3.046   6.319
  356    HA   ALA  50           HA       ALA  50   4.684   3.207   7.356
  357    HB1  ALA  50           HB1      ALA  50   3.636   3.682   9.508
  358    HB2  ALA  50           HB2      ALA  50   2.081   3.130   8.881
  359    HB3  ALA  50           HB3      ALA  50   2.841   4.577   8.211
  360    H    ARG  51           HN       ARG  51   2.129   0.810   7.784
  361    HA   ARG  51           HA       ARG  51   3.395  -0.895   9.597
  362    HB2  ARG  51           HB2      ARG  51   1.435  -1.499   7.372
  363    HB3  ARG  51           HB1      ARG  51   1.981  -2.721   8.500
  364    HG2  ARG  51           HG2      ARG  51   0.618  -0.183   9.386
  365    HG3  ARG  51           HG1      ARG  51  -0.268  -1.646   8.967
  366    HD2  ARG  51           HD2      ARG  51   0.055  -1.504  11.382
  367    HD3  ARG  51           HD1      ARG  51   0.939  -2.874  10.721
  368    HE   ARG  51           HE       ARG  51   2.343  -0.357  11.167
  369   HH11  ARG  51          HH11      ARG  51   1.666  -3.571  12.440
  370   HH12  ARG  51          HH12      ARG  51   3.191  -3.780  13.182
  371   HH21  ARG  51          HH21      ARG  51   4.336  -0.549  12.213
  372   HH22  ARG  51          HH22      ARG  51   4.814  -1.975  13.047
  373    H    LEU  52           HN       LEU  52   3.348  -1.040   6.088
  374    HA   LEU  52           HA       LEU  52   5.192  -3.170   5.911
  375    HB2  LEU  52           HB2      LEU  52   4.340  -1.182   3.831
  376    HB3  LEU  52           HB1      LEU  52   5.370  -2.561   3.499
  377    HG   LEU  52           HG       LEU  52   2.546  -2.708   4.543
  378   HD11  LEU  52          HD11      LEU  52   2.627  -1.957   2.244
  379   HD12  LEU  52          HD12      LEU  52   2.010  -3.605   2.347
  380   HD13  LEU  52          HD13      LEU  52   3.666  -3.314   1.819
  381   HD21  LEU  52          HD21      LEU  52   2.750  -5.104   4.129
  382   HD22  LEU  52          HD22      LEU  52   3.921  -4.561   5.328
  383   HD23  LEU  52          HD23      LEU  52   4.440  -4.888   3.674
  384    H    GLU  53           HN       GLU  53   5.746   0.344   5.859
  385    HA   GLU  53           HA       GLU  53   8.412   0.102   4.937
  386    HB2  GLU  53           HB2      GLU  53   8.631   2.442   5.326
  387    HB3  GLU  53           HB1      GLU  53   6.929   2.164   4.976
  388    HG2  GLU  53           HG2      GLU  53   6.343   2.342   7.275
  389    HG3  GLU  53           HG1      GLU  53   8.037   2.500   7.724
  390    H    SER  54           HN       SER  54   7.017   0.195   8.080
  391    HA   SER  54           HA       SER  54   9.435   0.206   9.566
  392    HB2  SER  54           HB2      SER  54   6.744  -0.905  10.401
  393    HB3  SER  54           HB1      SER  54   8.050  -0.391  11.470
  394    HG   SER  54           HG       SER  54   6.303   1.156   9.897
  395    H    ARG  55           HN       ARG  55   7.343  -2.323   8.353
  396    HA   ARG  55           HA       ARG  55   8.662  -4.472   9.631
  397    HB2  ARG  55           HB2      ARG  55   6.337  -4.592   9.034
  398    HB3  ARG  55           HB1      ARG  55   6.721  -4.380   7.338
  399    HG2  ARG  55           HG2      ARG  55   7.722  -6.547   7.234
  400    HG3  ARG  55           HG1      ARG  55   7.585  -6.741   8.984
  401    HD2  ARG  55           HD2      ARG  55   5.247  -6.370   7.118
  402    HD3  ARG  55           HD1      ARG  55   5.819  -7.936   7.699
  403    HE   ARG  55           HE       ARG  55   5.366  -7.018   9.989
  404   HH11  ARG  55          HH11      ARG  55   3.523  -5.689   7.265
  405   HH12  ARG  55          HH12      ARG  55   2.098  -5.498   8.204
  406   HH21  ARG  55          HH21      ARG  55   3.465  -6.700  11.180
  407   HH22  ARG  55          HH22      ARG  55   2.025  -6.104  10.424
  408    H    TYR  56           HN       TYR  56   9.028  -3.034   6.420
  409    HA   TYR  56           HA       TYR  56  10.954  -5.149   5.821
  410    HB2  TYR  56           HB2      TYR  56   9.510  -3.280   3.952
  411    HB3  TYR  56           HB1      TYR  56  10.773  -4.397   3.442
  412    HD1  TYR  56           HD1      TYR  56   7.334  -4.109   4.674
  413    HD2  TYR  56           HD2      TYR  56  10.362  -6.794   3.370
  414    HE1  TYR  56           HE1      TYR  56   5.679  -5.878   4.527
  415    HE2  TYR  56           HE2      TYR  56   8.692  -8.593   3.198
  416    HH   TYR  56           HH       TYR  56   5.312  -7.968   3.418
  417    H    GLY  57           HN       GLY  57  11.061  -2.098   6.985
  418    HA2  GLY  57           HA2      GLY  57  12.976  -0.943   7.562
  419    HA3  GLY  57           HA1      GLY  57  13.908  -2.052   6.573
  420    H    VAL  58           HN       VAL  58  11.237   0.130   5.737
  421    HA   VAL  58           HA       VAL  58  13.121   1.631   4.111
  422    HB   VAL  58           HB       VAL  58  11.494   1.898   2.244
  423   HG11  VAL  58          HG11      VAL  58  12.004  -0.951   2.916
  424   HG12  VAL  58          HG12      VAL  58  13.172   0.124   2.123
  425   HG13  VAL  58          HG13      VAL  58  11.660  -0.332   1.304
  426   HG21  VAL  58          HG21      VAL  58   9.521   0.527   2.069
  427   HG22  VAL  58          HG22      VAL  58   9.426   1.482   3.553
  428   HG23  VAL  58          HG23      VAL  58   9.891  -0.236   3.605
  429    H    SER  59           HN       SER  59  11.840   3.717   3.213
  430    HA   SER  59           HA       SER  59  10.368   4.820   5.490
  431    HB2  SER  59           HB2      SER  59  12.470   6.221   3.807
  432    HB3  SER  59           HB1      SER  59  11.542   6.943   5.120
  433    HG   SER  59           HG       SER  59  13.442   4.836   5.288
  434    H    ILE  60           HN       ILE  60   8.395   5.137   4.727
  435    HA   ILE  60           HA       ILE  60   8.104   6.052   1.945
  436    HB   ILE  60           HB       ILE  60   6.093   4.516   3.628
  437   HG12  ILE  60          HG12      ILE  60   7.671   3.631   1.194
  438   HG13  ILE  60          HG11      ILE  60   8.008   3.136   2.846
  439   HG21  ILE  60          HG21      ILE  60   4.745   4.423   1.575
  440   HG22  ILE  60          HG22      ILE  60   5.933   5.429   0.750
  441   HG23  ILE  60          HG23      ILE  60   5.009   6.088   2.099
  442   HD11  ILE  60          HD11      ILE  60   5.509   2.521   1.284
  443   HD12  ILE  60          HD12      ILE  60   5.824   2.032   2.947
  444   HD13  ILE  60          HD13      ILE  60   6.823   1.401   1.638
  445    HA   PRO  61           HA       PRO  61   6.696   9.727   4.082
  446    HB2  PRO  61           HB2      PRO  61   6.121  10.703   1.370
  447    HB3  PRO  61           HB1      PRO  61   7.228  11.361   2.574
  448    HG2  PRO  61           HG2      PRO  61   8.125  10.140   0.351
  449    HG3  PRO  61           HG1      PRO  61   8.984  10.030   1.897
  450    HD2  PRO  61           HD2      PRO  61   7.180   8.038   0.583
  451    HD3  PRO  61           HD1      PRO  61   8.709   7.778   1.452
  452    H    ASP  62           HN       ASP  62   4.784   9.860   4.901
  453    HA   ASP  62           HA       ASP  62   2.564   8.354   4.115
  454    HB2  ASP  62           HB2      ASP  62   1.265   9.540   5.820
  455    HB3  ASP  62           HB1      ASP  62   2.848   9.084   6.428
  456    H    ASP  63           HN       ASP  63   3.328  11.685   3.347
  457    HA   ASP  63           HA       ASP  63   0.752  12.377   2.424
  458    HB2  ASP  63           HB2      ASP  63   1.812  14.344   1.408
  459    HB3  ASP  63           HB1      ASP  63   2.394  14.089   3.045
  460    H    VAL  64           HN       VAL  64   3.278  10.582   1.000
  461    HA   VAL  64           HA       VAL  64   2.543  10.887  -1.744
  462    HB   VAL  64           HB       VAL  64   4.027   8.687  -0.330
  463   HG11  VAL  64          HG11      VAL  64   3.212   7.930  -2.539
  464   HG12  VAL  64          HG12      VAL  64   4.962   8.139  -2.598
  465   HG13  VAL  64          HG13      VAL  64   3.905   9.361  -3.303
  466   HG21  VAL  64          HG21      VAL  64   5.078  11.058  -1.860
  467   HG22  VAL  64          HG22      VAL  64   6.069   9.785  -1.141
  468   HG23  VAL  64          HG23      VAL  64   5.102  10.846  -0.114
  469    H    ALA  65           HN       ALA  65   1.527   8.870   0.906
  470    HA   ALA  65           HA       ALA  65   0.232   6.904  -0.707
  471    HB1  ALA  65           HB1      ALA  65  -0.155   7.505   2.225
  472    HB2  ALA  65           HB2      ALA  65   1.029   6.382   1.551
  473    HB3  ALA  65           HB3      ALA  65  -0.696   6.055   1.378
  474    H    GLY  66           HN       GLY  66  -0.545  10.049   0.227
  475    HA2  GLY  66           HA2      GLY  66  -3.417   9.695  -0.119
  476    HA3  GLY  66           HA1      GLY  66  -2.581  11.209   0.223
  477    H    ARG  67           HN       ARG  67  -0.812   9.834  -2.083
  478    HA   ARG  67           HA       ARG  67  -2.172  11.283  -4.242
  479    HB2  ARG  67           HB2      ARG  67   0.667  10.758  -3.598
  480    HB3  ARG  67           HB1      ARG  67   0.198  10.980  -5.265
  481    HG2  ARG  67           HG2      ARG  67  -0.664  13.218  -4.684
  482    HG3  ARG  67           HG1      ARG  67  -0.110  12.967  -3.019
  483    HD2  ARG  67           HD2      ARG  67   1.491  14.207  -4.598
  484    HD3  ARG  67           HD1      ARG  67   2.156  12.861  -3.666
  485    HE   ARG  67           HE       ARG  67   1.142  12.412  -6.365
  486   HH11  ARG  67          HH11      ARG  67   4.068  12.804  -4.406
  487   HH12  ARG  67          HH12      ARG  67   4.973  11.627  -5.212
  488   HH21  ARG  67          HH21      ARG  67   2.352  10.709  -7.461
  489   HH22  ARG  67          HH22      ARG  67   3.965  10.365  -7.030
  490    H    VAL  68           HN       VAL  68  -1.477   8.097  -3.206
  491    HA   VAL  68           HA       VAL  68  -0.689   7.139  -5.764
  492    HB   VAL  68           HB       VAL  68  -0.886   4.842  -4.805
  493   HG11  VAL  68          HG11      VAL  68   0.988   5.079  -3.245
  494   HG12  VAL  68          HG12      VAL  68   0.708   6.822  -3.194
  495   HG13  VAL  68          HG13      VAL  68   1.199   6.051  -4.702
  496   HG21  VAL  68          HG21      VAL  68  -1.232   4.586  -2.394
  497   HG22  VAL  68          HG22      VAL  68  -2.670   5.219  -3.197
  498   HG23  VAL  68          HG23      VAL  68  -1.626   6.305  -2.271
  499    H    ASP  69           HN       ASP  69  -1.810   6.928  -7.360
  500    HA   ASP  69           HA       ASP  69  -4.652   7.114  -7.427
  501    HB2  ASP  69           HB2      ASP  69  -3.277   7.893  -9.299
  502    HB3  ASP  69           HB1      ASP  69  -2.703   6.263  -9.570
  503    H    THR  70           HN       THR  70  -2.397   4.440  -7.809
  504    HA   THR  70           HA       THR  70  -4.639   2.575  -7.522
  505    HB   THR  70           HB       THR  70  -3.491   1.135  -9.218
  506    HG1  THR  70           HG1      THR  70  -2.277   3.229 -10.486
  507   HG21  THR  70          HG21      THR  70  -4.459   3.825 -10.138
  508   HG22  THR  70          HG22      THR  70  -5.493   2.444  -9.757
  509   HG23  THR  70          HG23      THR  70  -4.392   2.379 -11.145
  510    HA   PRO  71           HA       PRO  71  -1.850   0.262  -4.882
  511    HB2  PRO  71           HB2      PRO  71  -2.778  -2.195  -6.258
  512    HB3  PRO  71           HB1      PRO  71  -2.880  -1.771  -4.543
  513    HG2  PRO  71           HG2      PRO  71  -5.054  -1.770  -6.074
  514    HG3  PRO  71           HG1      PRO  71  -4.812  -0.524  -4.831
  515    HD2  PRO  71           HD2      PRO  71  -4.390  -0.360  -7.788
  516    HD3  PRO  71           HD1      PRO  71  -5.149   0.816  -6.689
  517    H    ARG  72           HN       ARG  72  -1.932   0.000  -8.310
  518    HA   ARG  72           HA       ARG  72   0.372  -1.578  -8.729
  519    HB2  ARG  72           HB2      ARG  72  -1.423  -0.796 -10.442
  520    HB3  ARG  72           HB1      ARG  72  -0.486   0.687 -10.538
  521    HG2  ARG  72           HG2      ARG  72   1.487  -0.657 -11.201
  522    HG3  ARG  72           HG1      ARG  72   0.458  -2.089 -11.216
  523    HD2  ARG  72           HD2      ARG  72   0.364   0.318 -13.013
  524    HD3  ARG  72           HD1      ARG  72   0.586  -1.371 -13.454
  525    HE   ARG  72           HE       ARG  72  -1.888  -0.011 -12.752
  526   HH11  ARG  72          HH11      ARG  72  -0.427  -3.178 -13.617
  527   HH12  ARG  72          HH12      ARG  72  -1.855  -3.740 -14.361
  528   HH21  ARG  72          HH21      ARG  72  -3.819  -0.879 -13.775
  529   HH22  ARG  72          HH22      ARG  72  -3.787  -2.429 -14.476
  530    H    GLU  73           HN       GLU  73  -0.241   1.915  -8.643
  531    HA   GLU  73           HA       GLU  73   2.430   2.766  -8.792
  532    HB2  GLU  73           HB2      GLU  73   0.551   4.238  -9.349
  533    HB3  GLU  73           HB1      GLU  73  -0.026   4.136  -7.699
  534    HG2  GLU  73           HG2      GLU  73   1.774   5.405  -6.877
  535    HG3  GLU  73           HG1      GLU  73   2.650   5.278  -8.405
  536    H    LEU  74           HN       LEU  74   0.306   2.091  -6.086
  537    HA   LEU  74           HA       LEU  74   2.032   2.984  -4.040
  538    HB2  LEU  74           HB2      LEU  74  -0.445   2.548  -3.838
  539    HB3  LEU  74           HB1      LEU  74  -0.113   0.839  -3.872
  540    HG   LEU  74           HG       LEU  74  -0.665   1.767  -1.618
  541   HD11  LEU  74          HD11      LEU  74   1.076   0.634  -0.366
  542   HD12  LEU  74          HD12      LEU  74   2.068   0.551  -1.823
  543   HD13  LEU  74          HD13      LEU  74   0.534  -0.314  -1.751
  544   HD21  LEU  74          HD21      LEU  74   1.030   3.040  -0.397
  545   HD22  LEU  74          HD22      LEU  74   0.423   3.925  -1.796
  546   HD23  LEU  74          HD23      LEU  74   2.003   3.141  -1.862
  547    H    LEU  75           HN       LEU  75   1.585  -0.242  -5.507
  548    HA   LEU  75           HA       LEU  75   3.468  -1.604  -3.930
  549    HB2  LEU  75           HB2      LEU  75   1.725  -2.670  -5.348
  550    HB3  LEU  75           HB1      LEU  75   2.606  -2.165  -6.770
  551    HG   LEU  75           HG       LEU  75   4.493  -3.618  -6.084
  552   HD11  LEU  75          HD11      LEU  75   4.092  -3.637  -3.684
  553   HD12  LEU  75          HD12      LEU  75   4.126  -5.280  -4.329
  554   HD13  LEU  75          HD13      LEU  75   2.586  -4.520  -3.930
  555   HD21  LEU  75          HD21      LEU  75   2.808  -4.414  -7.657
  556   HD22  LEU  75          HD22      LEU  75   1.814  -4.979  -6.317
  557   HD23  LEU  75          HD23      LEU  75   3.381  -5.727  -6.631
  558    H    ASP  76           HN       ASP  76   3.707   0.104  -7.012
  559    HA   ASP  76           HA       ASP  76   6.366  -0.366  -7.692
  560    HB2  ASP  76           HB2      ASP  76   4.911   0.775  -9.235
  561    HB3  ASP  76           HB1      ASP  76   4.658   2.093  -8.098
  562    H    LEU  77           HN       LEU  77   4.976   2.152  -5.689
  563    HA   LEU  77           HA       LEU  77   7.247   3.580  -5.017
  564    HB2  LEU  77           HB2      LEU  77   5.096   4.426  -4.467
  565    HB3  LEU  77           HB1      LEU  77   4.717   3.023  -3.493
  566    HG   LEU  77           HG       LEU  77   6.391   3.734  -1.833
  567   HD11  LEU  77          HD11      LEU  77   6.669   6.192  -3.545
  568   HD12  LEU  77          HD12      LEU  77   7.900   4.953  -3.283
  569   HD13  LEU  77          HD13      LEU  77   7.366   5.958  -1.941
  570   HD21  LEU  77          HD21      LEU  77   4.066   4.365  -1.569
  571   HD22  LEU  77          HD22      LEU  77   4.337   5.824  -2.525
  572   HD23  LEU  77          HD23      LEU  77   5.133   5.630  -0.962
  573    H    ILE  78           HN       ILE  78   5.776   0.851  -3.306
  574    HA   ILE  78           HA       ILE  78   7.762   0.771  -1.304
  575    HB   ILE  78           HB       ILE  78   5.914  -1.475  -2.145
  576   HG12  ILE  78          HG12      ILE  78   5.596   0.678  -0.036
  577   HG13  ILE  78          HG11      ILE  78   4.676   0.550  -1.531
  578   HG21  ILE  78          HG21      ILE  78   7.465  -0.984   0.407
  579   HG22  ILE  78          HG22      ILE  78   7.810  -2.226  -0.800
  580   HG23  ILE  78          HG23      ILE  78   6.316  -2.293   0.135
  581   HD11  ILE  78          HD11      ILE  78   3.393  -0.234   0.384
  582   HD12  ILE  78          HD12      ILE  78   4.643  -1.427   0.739
  583   HD13  ILE  78          HD13      ILE  78   3.709  -1.550  -0.750
  584    H    ASN  79           HN       ASN  79   7.288  -1.272  -4.216
  585    HA   ASN  79           HA       ASN  79   9.543  -2.889  -3.703
  586    HB2  ASN  79           HB2      ASN  79   7.977  -2.409  -6.222
  587    HB3  ASN  79           HB1      ASN  79   9.481  -3.313  -6.290
  588   HD21  ASN  79          HD21      ASN  79   7.252  -3.472  -3.566
  589   HD22  ASN  79          HD22      ASN  79   6.758  -5.110  -3.866
  590    H    GLY  80           HN       GLY  80   9.285   0.130  -5.495
  591    HA2  GLY  80           HA2      GLY  80  11.944   0.201  -6.407
  592    HA3  GLY  80           HA1      GLY  80  10.909   1.602  -6.126
  593    H    ALA  81           HN       ALA  81  10.429   1.474  -3.458
  594    HA   ALA  81           HA       ALA  81  12.719   2.603  -2.312
  595    HB1  ALA  81           HB1      ALA  81  11.488   2.553  -0.202
  596    HB2  ALA  81           HB2      ALA  81  10.322   1.427  -0.898
  597    HB3  ALA  81           HB3      ALA  81  10.440   3.072  -1.524
  598    H    LEU  82           HN       LEU  82  11.362  -0.624  -2.058
  599    HA   LEU  82           HA       LEU  82  13.119  -1.733  -0.168
  600    HB2  LEU  82           HB2      LEU  82  11.662  -3.041  -2.462
  601    HB3  LEU  82           HB1      LEU  82  12.503  -3.922  -1.203
  602    HG   LEU  82           HG       LEU  82  10.180  -2.070  -0.686
  603   HD11  LEU  82          HD11      LEU  82  10.244  -5.067  -0.946
  604   HD12  LEU  82          HD12      LEU  82   9.492  -3.943  -2.082
  605   HD13  LEU  82          HD13      LEU  82   8.854  -4.101  -0.443
  606   HD21  LEU  82          HD21      LEU  82  10.108  -3.223   1.462
  607   HD22  LEU  82          HD22      LEU  82  11.657  -2.418   1.216
  608   HD23  LEU  82          HD23      LEU  82  11.530  -4.164   1.008
  609    H    ALA  83           HN       ALA  83  13.283  -1.659  -3.704
  610    HA   ALA  83           HA       ALA  83  15.672  -3.126  -3.958
  611    HB1  ALA  83           HB1      ALA  83  14.556  -1.018  -5.813
  612    HB2  ALA  83           HB2      ALA  83  14.142  -2.732  -5.838
  613    HB3  ALA  83           HB3      ALA  83  15.783  -2.216  -6.227
  614    H    GLU  84           HN       GLU  84  15.035   0.292  -3.561
  615    HA   GLU  84           HA       GLU  84  17.793   1.039  -3.773
  616    HB2  GLU  84           HB2      GLU  84  15.369   2.582  -2.864
  617    HB3  GLU  84           HB1      GLU  84  16.966   3.278  -3.104
  618    HG2  GLU  84           HG2      GLU  84  15.341   1.925  -5.242
  619    HG3  GLU  84           HG1      GLU  84  15.429   3.665  -4.989
  620    H    ALA  85           HN       ALA  85  16.156  -0.515  -1.363
  621    HA   ALA  85           HA       ALA  85  17.738   0.737   0.772
  622    HB1  ALA  85           HB1      ALA  85  15.315   0.745   1.163
  623    HB2  ALA  85           HB2      ALA  85  16.143  -0.288   2.329
  624    HB3  ALA  85           HB3      ALA  85  15.278  -1.008   0.972
  625    H    ALA  86           HN       ALA  86  18.424  -1.336  -1.305
  626    HA   ALA  86           HA       ALA  86  18.887  -3.721   0.225
  627    HB1  ALA  86           HB1      ALA  86  19.949  -4.553  -1.816
  628    HB2  ALA  86           HB2      ALA  86  19.813  -2.951  -2.545
  629    HB3  ALA  86           HB3      ALA  86  18.359  -3.877  -2.159
  630    H28  SXV  87          H28A      SXV  87  -7.321  12.224   2.256
  631   H28A  SXV  87          H28B      SXV  87  -5.666  11.611   2.245
  632    H30  SXV  87          H30C      SXV  87  -4.930  13.431   3.576
  633   H30A  SXV  87          H30A      SXV  87  -6.586  14.036   3.639
  634   H30B  SXV  87          H30B      SXV  87  -5.274  15.104   3.134
  635    H31  SXV  87          H31C      SXV  87  -3.800  13.058   1.447
  636   H31A  SXV  87          H31A      SXV  87  -4.131  14.700   0.892
  637   H31B  SXV  87          H31B      SXV  87  -4.645  13.320  -0.077
  638    H32  SXV  87          H32A      SXV  87  -7.796  14.682   1.526
  639   HO33  SXV  87          H33A      SXV  87  -6.988  13.140  -0.311
  640   HN36  SXV  87          H36A      SXV  87  -6.919  15.761  -1.111
  641    H37  SXV  87          H37B      SXV  87  -5.093  17.952  -0.616
  642   H37A  SXV  87          H37A      SXV  87  -6.754  18.496  -0.753
  643    H38  SXV  87          H38B      SXV  87  -6.844  17.680  -3.048
  644   H38A  SXV  87          H38A      SXV  87  -5.288  16.848  -2.807
  645   HN41  SXV  87          H41A      SXV  87  -5.110  18.076  -4.870
  646    H42  SXV  87          H42B      SXV  87  -3.225  20.178  -4.455
  647   H42A  SXV  87          H42A      SXV  87  -4.683  20.716  -5.277
  648    H43  SXV  87          H43B      SXV  87  -2.976  18.389  -6.125
  649   H43A  SXV  87          H43A      SXV  87  -4.295  19.089  -7.048
  650    H1   SXV  87           H1B      SXV  87  -4.193  21.581  -8.004
  651    H1A  SXV  87           H1A      SXV  87  -3.643  22.284  -6.471
  652    H2   SXV  87           H2A      SXV  87  -1.698  23.204  -7.540
  653    H2A  SXV  87           H2B      SXV  87  -3.212  23.888  -8.143
  654    H4   SXV  87           H4C      SXV  87  -0.518  21.488 -10.185
  655    H4A  SXV  87           H4A      SXV  87  -0.146  22.644  -8.899
  656    H4B  SXV  87           H4B      SXV  87  -0.397  23.216 -10.555
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  20.245  -9.363  -6.550
    2    H2   MET   1           HT2      MET   1  21.335 -10.466  -5.902
    3    H3   MET   1           HT3      MET   1  21.143  -8.910  -5.213
    4    HA   MET   1           HA       MET   1  19.005 -10.944  -5.354
    5    HB2  MET   1           HB2      MET   1  20.592  -9.995  -2.950
    6    HB3  MET   1           HB1      MET   1  19.196 -11.060  -2.886
    7    HG2  MET   1           HG2      MET   1  20.463 -12.724  -4.202
    8    HG3  MET   1           HG1      MET   1  21.864 -11.659  -4.134
    9    HE1  MET   1           HE1      MET   1  21.453 -10.495  -1.109
   10    HE2  MET   1           HE2      MET   1  23.026 -10.934  -1.776
   11    HE3  MET   1           HE3      MET   1  22.518 -11.580  -0.216
   12    H    ALA   2           HN       ALA   2  17.015 -10.207  -4.779
   13    HA   ALA   2           HA       ALA   2  16.730  -7.553  -3.659
   14    HB1  ALA   2           HB1      ALA   2  15.246  -6.769  -5.442
   15    HB2  ALA   2           HB2      ALA   2  15.554  -8.246  -6.359
   16    HB3  ALA   2           HB3      ALA   2  16.862  -7.098  -6.072
   17    H    THR   3           HN       THR   3  15.090  -7.590  -2.254
   18    HA   THR   3           HA       THR   3  13.202  -9.817  -2.377
   19    HB   THR   3           HB       THR   3  12.697  -9.042  -0.010
   20    HG1  THR   3           HG1      THR   3  13.422  -7.008   0.024
   21   HG21  THR   3          HG21      THR   3  14.196 -10.938  -0.439
   22   HG22  THR   3          HG22      THR   3  14.747 -10.010   0.959
   23   HG23  THR   3          HG23      THR   3  15.561  -9.833  -0.594
   24    H    LEU   4           HN       LEU   4  11.457  -9.217  -3.565
   25    HA   LEU   4           HA       LEU   4  10.383  -6.515  -3.152
   26    HB2  LEU   4           HB2      LEU   4  10.078  -8.340  -5.540
   27    HB3  LEU   4           HB1      LEU   4   9.293  -6.789  -5.361
   28    HG   LEU   4           HG       LEU   4  12.277  -7.223  -5.570
   29   HD11  LEU   4          HD11      LEU   4  10.301  -6.110  -7.555
   30   HD12  LEU   4          HD12      LEU   4  11.123  -7.666  -7.666
   31   HD13  LEU   4          HD13      LEU   4  12.052  -6.168  -7.760
   32   HD21  LEU   4          HD21      LEU   4  11.715  -5.269  -4.203
   33   HD22  LEU   4          HD22      LEU   4  10.663  -4.669  -5.488
   34   HD23  LEU   4          HD23      LEU   4  12.401  -4.784  -5.755
   35    H    LEU   5           HN       LEU   5   8.477  -6.375  -2.201
   36    HA   LEU   5           HA       LEU   5   7.176  -8.617  -1.147
   37    HB2  LEU   5           HB2      LEU   5   5.615  -7.127  -0.197
   38    HB3  LEU   5           HB1      LEU   5   7.142  -6.286  -0.197
   39    HG   LEU   5           HG       LEU   5   4.979  -5.805  -2.235
   40   HD11  LEU   5          HD11      LEU   5   4.437  -3.779  -0.944
   41   HD12  LEU   5          HD12      LEU   5   5.574  -4.292   0.302
   42   HD13  LEU   5          HD13      LEU   5   4.134  -5.255  -0.029
   43   HD21  LEU   5          HD21      LEU   5   7.137  -5.037  -3.014
   44   HD22  LEU   5          HD22      LEU   5   7.426  -4.199  -1.489
   45   HD23  LEU   5          HD23      LEU   5   6.150  -3.645  -2.570
   46    H    THR   6           HN       THR   6   5.255  -9.599  -1.714
   47    HA   THR   6           HA       THR   6   4.579  -9.274  -4.519
   48    HB   THR   6           HB       THR   6   3.299 -11.397  -4.210
   49    HG1  THR   6           HG1      THR   6   4.362 -11.197  -1.548
   50   HG21  THR   6          HG21      THR   6   5.620 -11.464  -4.986
   51   HG22  THR   6          HG22      THR   6   5.272 -12.854  -3.958
   52   HG23  THR   6          HG23      THR   6   6.189 -11.489  -3.317
   53    H    THR   7           HN       THR   7   1.989  -9.955  -4.791
   54    HA   THR   7           HA       THR   7   0.489  -7.760  -3.955
   55    HB   THR   7           HB       THR   7  -0.544 -10.502  -4.768
   56    HG1  THR   7           HG1      THR   7  -0.553  -9.304  -6.901
   57   HG21  THR   7          HG21      THR   7  -2.435  -9.226  -5.663
   58   HG22  THR   7          HG22      THR   7  -1.676  -7.727  -5.123
   59   HG23  THR   7          HG23      THR   7  -2.239  -8.907  -3.936
   60    H    ASP   8           HN       ASP   8   0.851 -11.055  -2.758
   61    HA   ASP   8           HA       ASP   8  -0.959 -11.145  -0.653
   62    HB2  ASP   8           HB2      ASP   8   0.196 -13.146  -1.172
   63    HB3  ASP   8           HB1      ASP   8   1.771 -12.383  -1.008
   64    H    ASP   9           HN       ASP   9   2.331  -9.932  -0.678
   65    HA   ASP   9           HA       ASP   9   2.457  -9.276   2.080
   66    HB2  ASP   9           HB2      ASP   9   4.059  -8.222  -0.234
   67    HB3  ASP   9           HB1      ASP   9   4.426  -7.886   1.456
   68    H    LEU  10           HN       LEU  10   1.728  -7.405  -0.797
   69    HA   LEU  10           HA       LEU  10   1.395  -4.925   0.495
   70    HB2  LEU  10           HB2      LEU  10   1.624  -5.201  -1.958
   71    HB3  LEU  10           HB1      LEU  10   0.036  -5.942  -2.005
   72    HG   LEU  10           HG       LEU  10  -0.924  -3.806  -1.158
   73   HD11  LEU  10          HD11      LEU  10   0.420  -1.778  -1.274
   74   HD12  LEU  10          HD12      LEU  10   1.849  -2.745  -1.644
   75   HD13  LEU  10          HD13      LEU  10   1.053  -2.912  -0.080
   76   HD21  LEU  10          HD21      LEU  10  -0.966  -4.344  -3.529
   77   HD22  LEU  10          HD22      LEU  10   0.634  -3.630  -3.733
   78   HD23  LEU  10          HD23      LEU  10  -0.737  -2.613  -3.287
   79    H    ARG  11           HN       ARG  11  -0.885  -7.465  -0.385
   80    HA   ARG  11           HA       ARG  11  -3.314  -6.438   0.385
   81    HB2  ARG  11           HB2      ARG  11  -3.049  -8.562  -0.754
   82    HB3  ARG  11           HB1      ARG  11  -2.288  -9.253   0.666
   83    HG2  ARG  11           HG2      ARG  11  -4.396  -8.994   1.904
   84    HG3  ARG  11           HG1      ARG  11  -5.152  -8.355   0.440
   85    HD2  ARG  11           HD2      ARG  11  -3.906 -11.084   0.750
   86    HD3  ARG  11           HD1      ARG  11  -5.640 -10.729   0.705
   87    HE   ARG  11           HE       ARG  11  -5.216  -9.832  -1.550
   88   HH11  ARG  11          HH11      ARG  11  -3.201 -12.428  -0.195
   89   HH12  ARG  11          HH12      ARG  11  -2.684 -13.039  -1.684
   90   HH21  ARG  11          HH21      ARG  11  -4.444 -10.659  -3.657
   91   HH22  ARG  11          HH22      ARG  11  -3.396 -11.990  -3.722
   92    H    ARG  12           HN       ARG  12  -0.994  -8.200   2.365
   93    HA   ARG  12           HA       ARG  12  -2.547  -8.260   4.691
   94    HB2  ARG  12           HB2      ARG  12   0.455  -8.422   4.411
   95    HB3  ARG  12           HB1      ARG  12  -0.455  -8.858   5.861
   96    HG2  ARG  12           HG2      ARG  12  -1.658 -10.558   4.601
   97    HG3  ARG  12           HG1      ARG  12  -0.752 -10.126   3.154
   98    HD2  ARG  12           HD2      ARG  12   1.310 -10.825   4.255
   99    HD3  ARG  12           HD1      ARG  12   0.390 -11.261   5.701
  100    HE   ARG  12           HE       ARG  12   0.081 -12.546   3.064
  101   HH11  ARG  12          HH11      ARG  12   0.232 -12.786   6.575
  102   HH12  ARG  12          HH12      ARG  12  -0.445 -14.349   6.652
  103   HH21  ARG  12          HH21      ARG  12  -0.780 -14.682   3.125
  104   HH22  ARG  12          HH22      ARG  12  -1.041 -15.469   4.623
  105    H    ALA  13           HN       ALA  13  -0.478  -5.783   3.432
  106    HA   ALA  13           HA       ALA  13  -0.345  -4.234   5.826
  107    HB1  ALA  13           HB1      ALA  13   0.000  -3.397   2.968
  108    HB2  ALA  13           HB2      ALA  13   1.271  -3.988   4.042
  109    HB3  ALA  13           HB3      ALA  13   0.459  -2.462   4.390
  110    H    LEU  14           HN       LEU  14  -2.477  -4.356   3.033
  111    HA   LEU  14           HA       LEU  14  -4.005  -2.105   3.826
  112    HB2  LEU  14           HB2      LEU  14  -4.639  -4.383   1.944
  113    HB3  LEU  14           HB1      LEU  14  -5.837  -3.183   2.354
  114    HG   LEU  14           HG       LEU  14  -4.963  -2.632   0.226
  115   HD11  LEU  14          HD11      LEU  14  -4.016  -0.418   0.538
  116   HD12  LEU  14          HD12      LEU  14  -3.759  -0.784   2.244
  117   HD13  LEU  14          HD13      LEU  14  -5.396  -0.730   1.589
  118   HD21  LEU  14          HD21      LEU  14  -2.199  -2.705   1.413
  119   HD22  LEU  14          HD22      LEU  14  -2.602  -2.184  -0.224
  120   HD23  LEU  14          HD23      LEU  14  -2.873  -3.857   0.262
  121    H    VAL  15           HN       VAL  15  -4.255  -5.573   4.374
  122    HA   VAL  15           HA       VAL  15  -6.619  -5.690   5.848
  123    HB   VAL  15           HB       VAL  15  -4.082  -7.309   6.341
  124   HG11  VAL  15          HG11      VAL  15  -5.605  -7.457   8.241
  125   HG12  VAL  15          HG12      VAL  15  -5.555  -8.985   7.361
  126   HG13  VAL  15          HG13      VAL  15  -6.930  -7.899   7.164
  127   HG21  VAL  15          HG21      VAL  15  -5.148  -9.024   4.963
  128   HG22  VAL  15          HG22      VAL  15  -4.903  -7.530   4.056
  129   HG23  VAL  15          HG23      VAL  15  -6.506  -7.942   4.662
  130    H    GLU  16           HN       GLU  16  -3.329  -5.008   6.981
  131    HA   GLU  16           HA       GLU  16  -3.824  -4.697   9.681
  132    HB2  GLU  16           HB2      GLU  16  -1.742  -3.363   7.944
  133    HB3  GLU  16           HB1      GLU  16  -1.815  -3.204   9.688
  134    HG2  GLU  16           HG2      GLU  16  -1.642  -5.842   8.278
  135    HG3  GLU  16           HG1      GLU  16  -0.262  -4.920   8.872
  136    H    SER  17           HN       SER  17  -4.590  -2.487   7.126
  137    HA   SER  17           HA       SER  17  -5.153  -0.340   9.044
  138    HB2  SER  17           HB2      SER  17  -3.666   0.136   7.097
  139    HB3  SER  17           HB1      SER  17  -4.988  -0.271   6.014
  140    HG   SER  17           HG       SER  17  -4.612   1.983   6.462
  141    H    ALA  18           HN       ALA  18  -6.693  -2.841   7.454
  142    HA   ALA  18           HA       ALA  18  -9.236  -1.391   7.217
  143    HB1  ALA  18           HB1      ALA  18  -8.476  -4.072   6.079
  144    HB2  ALA  18           HB2      ALA  18  -8.488  -2.544   5.199
  145    HB3  ALA  18           HB3      ALA  18  -9.997  -3.217   5.823
  146    H    GLY  19           HN       GLY  19  -7.768  -4.302   8.543
  147    HA2  GLY  19           HA2      GLY  19  -8.381  -5.432  10.432
  148    HA3  GLY  19           HA1      GLY  19  -9.801  -4.398  10.573
  149    H    GLU  20           HN       GLU  20 -11.604  -4.812   9.280
  150    HA   GLU  20           HA       GLU  20 -11.610  -7.172   7.647
  151    HB2  GLU  20           HB2      GLU  20 -12.049  -7.893  10.080
  152    HB3  GLU  20           HB1      GLU  20 -13.582  -7.045   9.921
  153    HG2  GLU  20           HG2      GLU  20 -13.897  -9.390   9.488
  154    HG3  GLU  20           HG1      GLU  20 -14.146  -8.470   8.000
  155    H    THR  21           HN       THR  21 -12.536  -6.389   5.915
  156    HA   THR  21           HA       THR  21 -15.006  -4.862   6.196
  157    HB   THR  21           HB       THR  21 -12.806  -4.208   4.211
  158    HG1  THR  21           HG1      THR  21 -13.208  -3.417   6.836
  159   HG21  THR  21          HG21      THR  21 -15.342  -2.746   4.979
  160   HG22  THR  21          HG22      THR  21 -15.071  -3.626   3.475
  161   HG23  THR  21          HG23      THR  21 -14.139  -2.171   3.825
  162    H    ASP  22           HN       ASP  22 -15.939  -6.934   5.745
  163    HA   ASP  22           HA       ASP  22 -15.273  -8.302   3.332
  164    HB2  ASP  22           HB2      ASP  22 -17.128  -9.816   3.791
  165    HB3  ASP  22           HB1      ASP  22 -16.203  -9.558   5.256
  166    H    GLY  23           HN       GLY  23 -16.187  -8.273   1.435
  167    HA2  GLY  23           HA2      GLY  23 -18.098  -7.629   0.019
  168    HA3  GLY  23           HA1      GLY  23 -18.141  -6.118   0.940
  169    H    THR  24           HN       THR  24 -15.284  -6.179   1.224
  170    HA   THR  24           HA       THR  24 -14.493  -5.121  -1.365
  171    HB   THR  24           HB       THR  24 -13.344  -4.846   1.431
  172    HG1  THR  24           HG1      THR  24 -14.850  -3.113  -0.242
  173   HG21  THR  24          HG21      THR  24 -12.561  -3.442  -1.137
  174   HG22  THR  24          HG22      THR  24 -11.599  -4.661  -0.302
  175   HG23  THR  24          HG23      THR  24 -11.901  -3.098   0.464
  176    H    ASP  25           HN       ASP  25 -13.916  -7.011  -2.428
  177    HA   ASP  25           HA       ASP  25 -12.493  -9.144  -1.223
  178    HB2  ASP  25           HB2      ASP  25 -12.855  -8.457  -4.143
  179    HB3  ASP  25           HB1      ASP  25 -11.979  -9.874  -3.588
  180    H    LEU  26           HN       LEU  26 -10.730  -8.520  -0.215
  181    HA   LEU  26           HA       LEU  26  -8.680  -7.085  -1.693
  182    HB2  LEU  26           HB2      LEU  26  -9.296  -6.507   0.682
  183    HB3  LEU  26           HB1      LEU  26  -8.663  -8.064   1.167
  184    HG   LEU  26           HG       LEU  26  -6.430  -7.385   0.356
  185   HD11  LEU  26          HD11      LEU  26  -7.750  -4.705  -0.085
  186   HD12  LEU  26          HD12      LEU  26  -7.130  -5.774  -1.340
  187   HD13  LEU  26          HD13      LEU  26  -6.020  -5.033  -0.186
  188   HD21  LEU  26          HD21      LEU  26  -5.981  -5.797   2.156
  189   HD22  LEU  26          HD22      LEU  26  -7.043  -7.100   2.692
  190   HD23  LEU  26          HD23      LEU  26  -7.711  -5.508   2.332
  191    H    SER  27           HN       SER  27  -9.554 -10.181  -0.442
  192    HA   SER  27           HA       SER  27  -7.096 -11.515  -0.938
  193    HB2  SER  27           HB2      SER  27  -9.900 -12.671  -0.878
  194    HB3  SER  27           HB1      SER  27  -8.389 -13.530  -0.593
  195    HG   SER  27           HG       SER  27  -8.324 -11.614   1.168
  196    H    GLY  28           HN       GLY  28  -6.286 -11.729  -2.912
  197    HA2  GLY  28           HA2      GLY  28  -6.625 -12.757  -5.132
  198    HA3  GLY  28           HA1      GLY  28  -8.108 -11.802  -5.223
  199    H    ASP  29           HN       ASP  29  -7.011 -10.959  -7.206
  200    HA   ASP  29           HA       ASP  29  -4.821  -9.157  -6.607
  201    HB2  ASP  29           HB2      ASP  29  -4.551  -8.801  -8.946
  202    HB3  ASP  29           HB1      ASP  29  -4.898 -10.511  -8.768
  203    H    PHE  30           HN       PHE  30  -4.940  -6.998  -6.569
  204    HA   PHE  30           HA       PHE  30  -7.521  -5.714  -7.009
  205    HB2  PHE  30           HB2      PHE  30  -7.477  -4.691  -4.755
  206    HB3  PHE  30           HB1      PHE  30  -7.589  -6.441  -4.667
  207    HD1  PHE  30           HD2      PHE  30  -5.635  -7.776  -3.926
  208    HD2  PHE  30           HD1      PHE  30  -5.583  -3.521  -3.864
  209    HE1  PHE  30           HE2      PHE  30  -3.695  -7.823  -2.420
  210    HE2  PHE  30           HE1      PHE  30  -3.639  -3.566  -2.363
  211    HZ   PHE  30           HZ       PHE  30  -2.701  -5.711  -1.631
  212    H    LEU  31           HN       LEU  31  -4.830  -5.640  -8.252
  213    HA   LEU  31           HA       LEU  31  -3.590  -3.231  -7.210
  214    HB2  LEU  31           HB2      LEU  31  -2.761  -4.838  -9.621
  215    HB3  LEU  31           HB1      LEU  31  -1.838  -3.577  -8.853
  216    HG   LEU  31           HG       LEU  31  -0.802  -5.536  -8.256
  217   HD11  LEU  31          HD11      LEU  31  -2.559  -4.835  -5.940
  218   HD12  LEU  31          HD12      LEU  31  -0.987  -4.142  -6.353
  219   HD13  LEU  31          HD13      LEU  31  -1.108  -5.831  -5.852
  220   HD21  LEU  31          HD21      LEU  31  -2.500  -7.092  -8.995
  221   HD22  LEU  31          HD22      LEU  31  -3.452  -6.772  -7.541
  222   HD23  LEU  31          HD23      LEU  31  -1.872  -7.548  -7.412
  223    H    ASP  32           HN       ASP  32  -5.757  -4.116  -9.736
  224    HA   ASP  32           HA       ASP  32  -5.097  -1.753 -11.344
  225    HB2  ASP  32           HB2      ASP  32  -5.476  -4.087 -12.295
  226    HB3  ASP  32           HB1      ASP  32  -7.179  -3.839 -11.934
  227    H    LEU  33           HN       LEU  33  -7.400  -2.829  -9.071
  228    HA   LEU  33           HA       LEU  33  -9.518  -1.177 -10.017
  229    HB2  LEU  33           HB2      LEU  33 -10.708  -1.832  -7.900
  230    HB3  LEU  33           HB1      LEU  33 -10.259  -3.135  -8.971
  231    HG   LEU  33           HG       LEU  33  -8.320  -3.615  -7.430
  232   HD11  LEU  33          HD11      LEU  33  -9.733  -1.692  -5.601
  233   HD12  LEU  33          HD12      LEU  33  -8.137  -1.472  -6.317
  234   HD13  LEU  33          HD13      LEU  33  -8.408  -2.766  -5.151
  235   HD21  LEU  33          HD21      LEU  33 -10.344  -4.939  -7.383
  236   HD22  LEU  33          HD22      LEU  33 -11.091  -3.793  -6.267
  237   HD23  LEU  33          HD23      LEU  33  -9.692  -4.739  -5.756
  238    H    ARG  34           HN       ARG  34 -10.683   0.175  -8.186
  239    HA   ARG  34           HA       ARG  34  -8.731   2.278  -7.631
  240    HB2  ARG  34           HB2      ARG  34 -11.733   2.409  -7.847
  241    HB3  ARG  34           HB1      ARG  34 -10.678   3.783  -7.530
  242    HG2  ARG  34           HG2      ARG  34 -10.670   2.069 -10.000
  243    HG3  ARG  34           HG1      ARG  34 -11.263   3.731  -9.861
  244    HD2  ARG  34           HD2      ARG  34  -9.107   4.539  -9.351
  245    HD3  ARG  34           HD1      ARG  34  -8.437   2.926  -9.212
  246    HE   ARG  34           HE       ARG  34  -9.238   2.921 -11.724
  247   HH11  ARG  34          HH11      ARG  34  -7.677   5.432  -9.834
  248   HH12  ARG  34          HH12      ARG  34  -6.654   6.012 -11.037
  249   HH21  ARG  34          HH21      ARG  34  -7.855   3.752 -13.560
  250   HH22  ARG  34          HH22      ARG  34  -6.819   5.067 -13.233
  251    H    PHE  35           HN       PHE  35  -8.693   3.407  -5.662
  252    HA   PHE  35           HA       PHE  35  -9.198   1.792  -3.366
  253    HB2  PHE  35           HB2      PHE  35  -8.323   4.675  -3.598
  254    HB3  PHE  35           HB1      PHE  35  -8.456   3.805  -2.075
  255    HD1  PHE  35           HD2      PHE  35  -7.152   1.521  -2.028
  256    HD2  PHE  35           HD1      PHE  35  -6.275   4.770  -4.628
  257    HE1  PHE  35           HE2      PHE  35  -4.859   0.691  -2.296
  258    HE2  PHE  35           HE1      PHE  35  -4.020   3.949  -4.909
  259    HZ   PHE  35           HZ       PHE  35  -3.281   1.910  -3.732
  260    H    GLU  36           HN       GLU  36 -10.685   4.507  -4.887
  261    HA   GLU  36           HA       GLU  36 -12.621   5.180  -2.972
  262    HB2  GLU  36           HB2      GLU  36 -13.207   5.214  -5.933
  263    HB3  GLU  36           HB1      GLU  36 -13.768   6.325  -4.705
  264    HG2  GLU  36           HG2      GLU  36 -12.244   7.578  -5.932
  265    HG3  GLU  36           HG1      GLU  36 -11.308   7.066  -4.531
  266    H    ASP  37           HN       ASP  37 -12.435   2.712  -5.384
  267    HA   ASP  37           HA       ASP  37 -15.125   1.787  -5.253
  268    HB2  ASP  37           HB2      ASP  37 -13.669   1.428  -7.211
  269    HB3  ASP  37           HB1      ASP  37 -12.627   0.400  -6.235
  270    H    ILE  38           HN       ILE  38 -12.101   0.912  -3.687
  271    HA   ILE  38           HA       ILE  38 -13.471  -1.213  -2.263
  272    HB   ILE  38           HB       ILE  38 -11.255  -1.895  -1.396
  273   HG12  ILE  38          HG12      ILE  38 -10.189   0.233  -3.281
  274   HG13  ILE  38          HG11      ILE  38 -10.145   0.319  -1.527
  275   HG21  ILE  38          HG21      ILE  38 -11.525  -1.649  -4.368
  276   HG22  ILE  38          HG22      ILE  38 -12.209  -2.918  -3.347
  277   HG23  ILE  38          HG23      ILE  38 -10.453  -2.785  -3.538
  278   HD11  ILE  38          HD11      ILE  38  -7.987  -0.317  -2.435
  279   HD12  ILE  38          HD12      ILE  38  -8.715  -1.706  -3.240
  280   HD13  ILE  38          HD13      ILE  38  -8.668  -1.633  -1.479
  281    H    GLY  39           HN       GLY  39 -13.664   1.713  -1.768
  282    HA2  GLY  39           HA2      GLY  39 -14.173   3.035   0.067
  283    HA3  GLY  39           HA1      GLY  39 -14.262   1.541   0.984
  284    H    TYR  40           HN       TYR  40 -11.567   3.211  -0.601
  285    HA   TYR  40           HA       TYR  40 -10.252   3.412   2.017
  286    HB2  TYR  40           HB2      TYR  40  -9.198   2.451  -0.596
  287    HB3  TYR  40           HB1      TYR  40  -8.128   3.382   0.434
  288    HD1  TYR  40           HD2      TYR  40 -10.273   0.332   0.393
  289    HD2  TYR  40           HD1      TYR  40  -6.988   2.366   2.152
  290    HE1  TYR  40           HE2      TYR  40  -9.684  -1.706   1.642
  291    HE2  TYR  40           HE1      TYR  40  -6.376   0.360   3.387
  292    HH   TYR  40           HH       TYR  40  -7.480  -1.698   4.195
  293    H    ASP  41           HN       ASP  41  -9.583   5.354   2.571
  294    HA   ASP  41           HA       ASP  41  -9.265   7.419   0.507
  295    HB2  ASP  41           HB2      ASP  41  -9.932   7.548   3.434
  296    HB3  ASP  41           HB1      ASP  41  -8.956   8.839   2.764
  297    H    SER  42           HN       SER  42  -7.486   8.965   1.187
  298    HA   SER  42           HA       SER  42  -4.956   7.865   1.009
  299    HB2  SER  42           HB2      SER  42  -4.256  10.150   1.768
  300    HB3  SER  42           HB1      SER  42  -5.482  10.178   0.488
  301    H    LEU  43           HN       LEU  43  -6.880   8.801   3.702
  302    HA   LEU  43           HA       LEU  43  -5.320   8.799   5.931
  303    HB2  LEU  43           HB2      LEU  43  -8.029   7.524   5.704
  304    HB3  LEU  43           HB1      LEU  43  -7.271   8.099   7.173
  305    HG   LEU  43           HG       LEU  43  -8.160   9.812   4.858
  306   HD11  LEU  43          HD11      LEU  43  -9.858  10.607   6.418
  307   HD12  LEU  43          HD12      LEU  43  -9.289   9.445   7.618
  308   HD13  LEU  43          HD13      LEU  43 -10.007   8.876   6.112
  309   HD21  LEU  43          HD21      LEU  43  -6.205  10.755   5.984
  310   HD22  LEU  43          HD22      LEU  43  -7.007  10.581   7.544
  311   HD23  LEU  43          HD23      LEU  43  -7.650  11.701   6.342
  312    H    ALA  44           HN       ALA  44  -6.979   5.950   4.649
  313    HA   ALA  44           HA       ALA  44  -5.797   4.154   6.489
  314    HB1  ALA  44           HB1      ALA  44  -7.182   3.587   3.873
  315    HB2  ALA  44           HB2      ALA  44  -7.969   3.731   5.447
  316    HB3  ALA  44           HB3      ALA  44  -6.836   2.414   5.143
  317    H    LEU  45           HN       LEU  45  -5.079   5.152   3.219
  318    HA   LEU  45           HA       LEU  45  -3.255   3.130   2.558
  319    HB2  LEU  45           HB2      LEU  45  -3.404   5.959   1.535
  320    HB3  LEU  45           HB1      LEU  45  -2.527   4.645   0.772
  321    HG   LEU  45           HG       LEU  45  -5.515   4.786   1.133
  322   HD11  LEU  45          HD11      LEU  45  -4.716   6.362  -0.530
  323   HD12  LEU  45          HD12      LEU  45  -5.562   5.020  -1.302
  324   HD13  LEU  45          HD13      LEU  45  -3.802   5.082  -1.326
  325   HD21  LEU  45          HD21      LEU  45  -5.557   2.787  -0.272
  326   HD22  LEU  45          HD22      LEU  45  -4.677   2.500   1.232
  327   HD23  LEU  45          HD23      LEU  45  -3.794   2.756  -0.273
  328    H    MET  46           HN       MET  46  -2.822   6.333   3.951
  329    HA   MET  46           HA       MET  46  -0.008   6.377   4.043
  330    HB2  MET  46           HB2      MET  46  -2.014   7.749   5.844
  331    HB3  MET  46           HB1      MET  46  -0.290   8.078   5.858
  332    HG2  MET  46           HG2      MET  46  -0.397   8.911   3.570
  333    HG3  MET  46           HG1      MET  46  -2.113   8.477   3.503
  334    HE1  MET  46           HE1      MET  46  -3.678  11.029   6.017
  335    HE2  MET  46           HE2      MET  46  -3.142   9.383   6.362
  336    HE3  MET  46           HE3      MET  46  -3.995   9.739   4.858
  337    H    GLU  47           HN       GLU  47  -2.371   4.986   6.171
  338    HA   GLU  47           HA       GLU  47  -0.547   4.419   8.293
  339    HB2  GLU  47           HB2      GLU  47  -3.033   4.685   8.509
  340    HB3  GLU  47           HB1      GLU  47  -3.216   3.135   7.708
  341    HG2  GLU  47           HG2      GLU  47  -1.981   2.045   9.500
  342    HG3  GLU  47           HG1      GLU  47  -1.797   3.597  10.317
  343    H    THR  48           HN       THR  48  -1.973   2.594   5.618
  344    HA   THR  48           HA       THR  48  -0.890   0.086   5.913
  345    HB   THR  48           HB       THR  48  -1.429   1.754   3.445
  346    HG1  THR  48           HG1      THR  48  -2.973  -0.320   4.568
  347   HG21  THR  48          HG21      THR  48  -1.060  -1.243   3.648
  348   HG22  THR  48          HG22      THR  48   0.039  -0.123   2.840
  349   HG23  THR  48          HG23      THR  48  -1.591  -0.372   2.209
  350    H    ALA  49           HN       ALA  49   0.479   2.864   4.143
  351    HA   ALA  49           HA       ALA  49   2.861   1.728   3.294
  352    HB1  ALA  49           HB1      ALA  49   2.363   4.611   4.035
  353    HB2  ALA  49           HB2      ALA  49   1.984   3.869   2.482
  354    HB3  ALA  49           HB3      ALA  49   3.661   4.006   3.007
  355    H    ALA  50           HN       ALA  50   2.256   3.601   6.263
  356    HA   ALA  50           HA       ALA  50   4.910   3.428   7.224
  357    HB1  ALA  50           HB1      ALA  50   3.329   5.145   7.963
  358    HB2  ALA  50           HB2      ALA  50   4.026   4.264   9.326
  359    HB3  ALA  50           HB3      ALA  50   2.382   3.911   8.793
  360    H    ARG  51           HN       ARG  51   2.184   1.318   7.491
  361    HA   ARG  51           HA       ARG  51   3.051  -0.276   9.660
  362    HB2  ARG  51           HB2      ARG  51   0.735  -0.216   8.638
  363    HB3  ARG  51           HB1      ARG  51   1.371  -1.157   7.302
  364    HG2  ARG  51           HG2      ARG  51   0.205  -2.597   8.842
  365    HG3  ARG  51           HG1      ARG  51   1.933  -2.963   8.885
  366    HD2  ARG  51           HD2      ARG  51   2.214  -1.753  10.909
  367    HD3  ARG  51           HD1      ARG  51   0.581  -1.102  10.822
  368    HE   ARG  51           HE       ARG  51   0.519  -3.942  10.918
  369   HH11  ARG  51          HH11      ARG  51   1.054  -1.122  12.980
  370   HH12  ARG  51          HH12      ARG  51   0.502  -1.861  14.397
  371   HH21  ARG  51          HH21      ARG  51  -0.268  -4.940  12.737
  372   HH22  ARG  51          HH22      ARG  51  -0.322  -4.162  14.276
  373    H    LEU  52           HN       LEU  52   3.457  -0.520   6.174
  374    HA   LEU  52           HA       LEU  52   5.067  -2.868   6.339
  375    HB2  LEU  52           HB2      LEU  52   4.578  -0.998   4.053
  376    HB3  LEU  52           HB1      LEU  52   5.653  -2.375   3.935
  377    HG   LEU  52           HG       LEU  52   2.694  -2.434   4.471
  378   HD11  LEU  52          HD11      LEU  52   4.330  -3.428   2.147
  379   HD12  LEU  52          HD12      LEU  52   3.274  -2.016   2.157
  380   HD13  LEU  52          HD13      LEU  52   2.592  -3.628   2.357
  381   HD21  LEU  52          HD21      LEU  52   2.896  -4.878   4.451
  382   HD22  LEU  52          HD22      LEU  52   3.803  -4.165   5.787
  383   HD23  LEU  52          HD23      LEU  52   4.653  -4.734   4.350
  384    H    GLU  53           HN       GLU  53   5.874   0.522   6.435
  385    HA   GLU  53           HA       GLU  53   8.560   0.440   5.804
  386    HB2  GLU  53           HB2      GLU  53   7.304   1.993   8.065
  387    HB3  GLU  53           HB1      GLU  53   8.910   2.275   7.421
  388    HG2  GLU  53           HG2      GLU  53   7.873   2.834   5.245
  389    HG3  GLU  53           HG1      GLU  53   6.290   2.678   6.016
  390    H    SER  54           HN       SER  54   6.990  -0.293   8.826
  391    HA   SER  54           HA       SER  54   9.157  -0.827  10.470
  392    HB2  SER  54           HB2      SER  54   6.890  -0.535  11.301
  393    HB3  SER  54           HB1      SER  54   6.362  -1.992  10.466
  394    HG   SER  54           HG       SER  54   7.738  -1.673  12.838
  395    H    ARG  55           HN       ARG  55   7.652  -2.843   8.024
  396    HA   ARG  55           HA       ARG  55   8.922  -5.247   9.025
  397    HB2  ARG  55           HB2      ARG  55   6.623  -5.292   8.125
  398    HB3  ARG  55           HB1      ARG  55   7.259  -4.843   6.548
  399    HG2  ARG  55           HG2      ARG  55   8.571  -6.915   6.507
  400    HG3  ARG  55           HG1      ARG  55   7.872  -7.366   8.062
  401    HD2  ARG  55           HD2      ARG  55   5.638  -7.288   7.045
  402    HD3  ARG  55           HD1      ARG  55   6.384  -6.914   5.488
  403    HE   ARG  55           HE       ARG  55   7.132  -9.359   6.911
  404   HH11  ARG  55          HH11      ARG  55   5.708  -7.845   4.004
  405   HH12  ARG  55          HH12      ARG  55   5.539  -9.334   3.208
  406   HH21  ARG  55          HH21      ARG  55   6.894 -11.349   5.725
  407   HH22  ARG  55          HH22      ARG  55   6.202 -11.316   4.174
  408    H    TYR  56           HN       TYR  56   9.291  -2.998   6.356
  409    HA   TYR  56           HA       TYR  56  11.316  -4.775   5.195
  410    HB2  TYR  56           HB2      TYR  56  10.017  -2.355   3.963
  411    HB3  TYR  56           HB1      TYR  56  11.138  -3.446   3.160
  412    HD1  TYR  56           HD2      TYR  56  10.412  -5.935   2.978
  413    HD2  TYR  56           HD1      TYR  56   7.754  -2.760   3.903
  414    HE1  TYR  56           HE2      TYR  56   8.503  -7.339   2.320
  415    HE2  TYR  56           HE1      TYR  56   5.863  -4.146   3.259
  416    HH   TYR  56           HH       TYR  56   5.397  -6.063   1.855
  417    H    GLY  57           HN       GLY  57  11.159  -1.916   7.038
  418    HA2  GLY  57           HA2      GLY  57  12.855  -0.549   7.764
  419    HA3  GLY  57           HA1      GLY  57  13.998  -1.591   6.913
  420    H    VAL  58           HN       VAL  58  11.237   0.219   5.758
  421    HA   VAL  58           HA       VAL  58  13.007   1.604   3.881
  422    HB   VAL  58           HB       VAL  58  11.106   1.817   2.310
  423   HG11  VAL  58          HG11      VAL  58  12.639  -0.048   2.028
  424   HG12  VAL  58          HG12      VAL  58  10.997  -0.518   1.580
  425   HG13  VAL  58          HG13      VAL  58  11.663  -1.022   3.131
  426   HG21  VAL  58          HG21      VAL  58   9.051   0.494   2.650
  427   HG22  VAL  58          HG22      VAL  58   9.251   1.723   3.897
  428   HG23  VAL  58          HG23      VAL  58   9.623   0.037   4.257
  429    H    SER  59           HN       SER  59  11.774   3.759   3.053
  430    HA   SER  59           HA       SER  59  10.499   4.927   5.375
  431    HB2  SER  59           HB2      SER  59  12.776   6.170   3.822
  432    HB3  SER  59           HB1      SER  59  11.887   6.922   5.153
  433    HG   SER  59           HG       SER  59  12.597   4.582   6.009
  434    H    ILE  60           HN       ILE  60   8.607   5.321   4.692
  435    HA   ILE  60           HA       ILE  60   8.208   6.429   1.998
  436    HB   ILE  60           HB       ILE  60   6.226   4.929   3.749
  437   HG12  ILE  60          HG12      ILE  60   7.595   4.038   1.193
  438   HG13  ILE  60          HG11      ILE  60   8.037   3.498   2.808
  439   HG21  ILE  60          HG21      ILE  60   4.773   4.969   1.768
  440   HG22  ILE  60          HG22      ILE  60   5.967   5.951   0.917
  441   HG23  ILE  60          HG23      ILE  60   5.143   6.599   2.335
  442   HD11  ILE  60          HD11      ILE  60   6.683   1.844   1.648
  443   HD12  ILE  60          HD12      ILE  60   5.385   3.025   1.460
  444   HD13  ILE  60          HD13      ILE  60   5.845   2.469   3.069
  445    HA   PRO  61           HA       PRO  61   7.231  10.056   4.456
  446    HB2  PRO  61           HB2      PRO  61   6.513  11.196   1.830
  447    HB3  PRO  61           HB1      PRO  61   7.713  11.764   2.995
  448    HG2  PRO  61           HG2      PRO  61   8.426  10.623   0.667
  449    HG3  PRO  61           HG1      PRO  61   9.374  10.407   2.150
  450    HD2  PRO  61           HD2      PRO  61   7.442   8.539   0.841
  451    HD3  PRO  61           HD1      PRO  61   8.993   8.187   1.640
  452    H    ASP  62           HN       ASP  62   5.443  10.002   5.456
  453    HA   ASP  62           HA       ASP  62   3.175   8.645   5.068
  454    HB2  ASP  62           HB2      ASP  62   3.702   9.657   7.157
  455    HB3  ASP  62           HB1      ASP  62   3.499  11.269   6.488
  456    H    ASP  63           HN       ASP  63   3.449  12.063   4.101
  457    HA   ASP  63           HA       ASP  63   0.740  12.324   3.284
  458    HB2  ASP  63           HB2      ASP  63   2.074  14.260   3.895
  459    HB3  ASP  63           HB1      ASP  63   3.179  13.961   2.565
  460    H    VAL  64           HN       VAL  64   3.458  10.969   1.689
  461    HA   VAL  64           HA       VAL  64   2.632  11.428  -1.013
  462    HB   VAL  64           HB       VAL  64   4.575   9.446   0.126
  463   HG11  VAL  64          HG11      VAL  64   3.925   8.779  -2.149
  464   HG12  VAL  64          HG12      VAL  64   5.584   9.375  -2.166
  465   HG13  VAL  64          HG13      VAL  64   4.274  10.402  -2.744
  466   HG21  VAL  64          HG21      VAL  64   5.066  12.172  -1.064
  467   HG22  VAL  64          HG22      VAL  64   6.327  11.052  -0.538
  468   HG23  VAL  64          HG23      VAL  64   5.199  11.729   0.636
  469    H    ALA  65           HN       ALA  65   1.762   9.157   1.405
  470    HA   ALA  65           HA       ALA  65   0.947   7.138  -0.454
  471    HB1  ALA  65           HB1      ALA  65   1.622   6.544   1.834
  472    HB2  ALA  65           HB2      ALA  65   0.005   5.966   1.447
  473    HB3  ALA  65           HB3      ALA  65   0.208   7.385   2.467
  474    H    GLY  66           HN       GLY  66  -0.245  10.099   0.207
  475    HA2  GLY  66           HA2      GLY  66  -3.013   9.382  -0.361
  476    HA3  GLY  66           HA1      GLY  66  -2.403  10.997   0.016
  477    H    ARG  67           HN       ARG  67  -0.248   9.685  -2.070
  478    HA   ARG  67           HA       ARG  67  -1.422  11.081  -4.354
  479    HB2  ARG  67           HB2      ARG  67   1.345   9.994  -3.898
  480    HB3  ARG  67           HB1      ARG  67   0.801  10.618  -5.440
  481    HG2  ARG  67           HG2      ARG  67   0.376  12.794  -4.298
  482    HG3  ARG  67           HG1      ARG  67   1.165  12.112  -2.869
  483    HD2  ARG  67           HD2      ARG  67   2.745  13.398  -4.249
  484    HD3  ARG  67           HD1      ARG  67   3.189  11.695  -4.152
  485    HE   ARG  67           HE       ARG  67   1.555  12.213  -6.434
  486   HH11  ARG  67          HH11      ARG  67   4.927  12.423  -5.323
  487   HH12  ARG  67          HH12      ARG  67   5.581  12.416  -6.897
  488   HH21  ARG  67          HH21      ARG  67   2.453  12.195  -8.569
  489   HH22  ARG  67          HH22      ARG  67   4.133  12.278  -8.789
  490    H    VAL  68           HN       VAL  68  -0.820   7.887  -3.225
  491    HA   VAL  68           HA       VAL  68  -0.486   6.672  -5.739
  492    HB   VAL  68           HB       VAL  68  -0.941   4.495  -4.554
  493   HG11  VAL  68          HG11      VAL  68   1.291   5.415  -4.752
  494   HG12  VAL  68          HG12      VAL  68   1.086   4.598  -3.198
  495   HG13  VAL  68          HG13      VAL  68   1.042   6.362  -3.282
  496   HG21  VAL  68          HG21      VAL  68  -2.476   5.346  -2.838
  497   HG22  VAL  68          HG22      VAL  68  -1.136   6.261  -2.117
  498   HG23  VAL  68          HG23      VAL  68  -1.094   4.497  -2.136
  499    H    ASP  69           HN       ASP  69  -1.790   6.732  -7.230
  500    HA   ASP  69           HA       ASP  69  -4.598   7.218  -6.961
  501    HB2  ASP  69           HB2      ASP  69  -3.076   7.962  -8.871
  502    HB3  ASP  69           HB1      ASP  69  -3.156   6.314  -9.437
  503    H    THR  70           HN       THR  70  -2.660   4.432  -7.954
  504    HA   THR  70           HA       THR  70  -5.014   2.746  -7.554
  505    HB   THR  70           HB       THR  70  -4.149   1.277  -9.363
  506    HG1  THR  70           HG1      THR  70  -2.537   2.258 -10.757
  507   HG21  THR  70          HG21      THR  70  -5.819   2.977  -9.889
  508   HG22  THR  70          HG22      THR  70  -4.713   2.746 -11.248
  509   HG23  THR  70          HG23      THR  70  -4.537   4.155 -10.184
  510    HA   PRO  71           HA       PRO  71  -2.591   0.406  -4.691
  511    HB2  PRO  71           HB2      PRO  71  -3.586  -2.079  -5.986
  512    HB3  PRO  71           HB1      PRO  71  -3.735  -1.553  -4.303
  513    HG2  PRO  71           HG2      PRO  71  -5.844  -1.441  -5.895
  514    HG3  PRO  71           HG1      PRO  71  -5.504  -0.100  -4.780
  515    HD2  PRO  71           HD2      PRO  71  -4.926  -0.310  -7.716
  516    HD3  PRO  71           HD1      PRO  71  -5.662   1.036  -6.814
  517    H    ARG  72           HN       ARG  72  -2.347  -0.487  -8.078
  518    HA   ARG  72           HA       ARG  72   0.049  -2.013  -7.816
  519    HB2  ARG  72           HB2      ARG  72  -1.458  -2.058  -9.828
  520    HB3  ARG  72           HB1      ARG  72  -0.882  -0.451 -10.240
  521    HG2  ARG  72           HG2      ARG  72   1.399  -1.338 -10.467
  522    HG3  ARG  72           HG1      ARG  72   0.796  -2.954 -10.088
  523    HD2  ARG  72           HD2      ARG  72   0.014  -1.241 -12.444
  524    HD3  ARG  72           HD1      ARG  72   1.021  -2.686 -12.489
  525    HE   ARG  72           HE       ARG  72  -1.025  -3.853 -11.594
  526   HH11  ARG  72          HH11      ARG  72  -1.101  -1.186 -13.923
  527   HH12  ARG  72          HH12      ARG  72  -2.699  -1.474 -14.437
  528   HH21  ARG  72          HH21      ARG  72  -3.254  -4.285 -12.347
  529   HH22  ARG  72          HH22      ARG  72  -3.935  -3.233 -13.510
  530    H    GLU  73           HN       GLU  73  -0.690   1.380  -8.210
  531    HA   GLU  73           HA       GLU  73   1.952   2.287  -8.687
  532    HB2  GLU  73           HB2      GLU  73  -0.177   3.529  -9.212
  533    HB3  GLU  73           HB1      GLU  73  -0.396   3.752  -7.495
  534    HG2  GLU  73           HG2      GLU  73   1.565   5.103  -7.348
  535    HG3  GLU  73           HG1      GLU  73   1.954   4.789  -9.041
  536    H    LEU  74           HN       LEU  74  -0.064   1.810  -5.862
  537    HA   LEU  74           HA       LEU  74   1.659   2.894  -3.902
  538    HB2  LEU  74           HB2      LEU  74  -0.833   2.232  -3.728
  539    HB3  LEU  74           HB1      LEU  74  -0.282   0.596  -3.487
  540    HG   LEU  74           HG       LEU  74   0.305   2.925  -1.630
  541   HD11  LEU  74          HD11      LEU  74  -2.047   2.377  -1.640
  542   HD12  LEU  74          HD12      LEU  74  -1.300   1.871  -0.127
  543   HD13  LEU  74          HD13      LEU  74  -1.673   0.675  -1.368
  544   HD21  LEU  74          HD21      LEU  74   1.024   1.224  -0.025
  545   HD22  LEU  74          HD22      LEU  74   2.010   1.153  -1.490
  546   HD23  LEU  74          HD23      LEU  74   0.741  -0.038  -1.223
  547    H    LEU  75           HN       LEU  75   1.233  -0.361  -5.201
  548    HA   LEU  75           HA       LEU  75   3.141  -1.730  -3.692
  549    HB2  LEU  75           HB2      LEU  75   1.450  -2.812  -5.113
  550    HB3  LEU  75           HB1      LEU  75   2.243  -2.194  -6.541
  551    HG   LEU  75           HG       LEU  75   4.201  -3.635  -6.048
  552   HD11  LEU  75          HD11      LEU  75   3.977  -3.756  -3.631
  553   HD12  LEU  75          HD12      LEU  75   4.019  -5.372  -4.342
  554   HD13  LEU  75          HD13      LEU  75   2.486  -4.682  -3.803
  555   HD21  LEU  75          HD21      LEU  75   2.415  -4.425  -7.525
  556   HD22  LEU  75          HD22      LEU  75   1.569  -5.115  -6.138
  557   HD23  LEU  75          HD23      LEU  75   3.140  -5.752  -6.620
  558    H    ASP  76           HN       ASP  76   3.436  -0.033  -6.781
  559    HA   ASP  76           HA       ASP  76   6.106  -0.543  -7.408
  560    HB2  ASP  76           HB2      ASP  76   4.605   0.534  -8.980
  561    HB3  ASP  76           HB1      ASP  76   4.500   1.956  -7.948
  562    H    LEU  77           HN       LEU  77   4.736   2.007  -5.423
  563    HA   LEU  77           HA       LEU  77   6.989   3.531  -4.876
  564    HB2  LEU  77           HB2      LEU  77   4.795   4.264  -4.244
  565    HB3  LEU  77           HB1      LEU  77   4.570   2.875  -3.209
  566    HG   LEU  77           HG       LEU  77   6.264   3.773  -1.658
  567   HD11  LEU  77          HD11      LEU  77   6.280   6.165  -3.484
  568   HD12  LEU  77          HD12      LEU  77   7.612   5.036  -3.220
  569   HD13  LEU  77          HD13      LEU  77   7.053   6.062  -1.900
  570   HD21  LEU  77          HD21      LEU  77   4.907   5.616  -0.801
  571   HD22  LEU  77          HD22      LEU  77   3.906   4.254  -1.312
  572   HD23  LEU  77          HD23      LEU  77   4.036   5.687  -2.333
  573    H    ILE  78           HN       ILE  78   5.744   0.712  -3.172
  574    HA   ILE  78           HA       ILE  78   7.905   0.747  -1.297
  575    HB   ILE  78           HB       ILE  78   5.854  -1.456  -1.735
  576   HG12  ILE  78          HG12      ILE  78   5.844   0.926   0.134
  577   HG13  ILE  78          HG11      ILE  78   4.819   0.725  -1.278
  578   HG21  ILE  78          HG21      ILE  78   7.841  -2.173  -0.443
  579   HG22  ILE  78          HG22      ILE  78   6.408  -2.088   0.579
  580   HG23  ILE  78          HG23      ILE  78   7.615  -0.804   0.649
  581   HD11  ILE  78          HD11      ILE  78   4.781  -0.955   1.210
  582   HD12  ILE  78          HD12      ILE  78   3.748  -1.191  -0.202
  583   HD13  ILE  78          HD13      ILE  78   3.608   0.282   0.762
  584    H    ASN  79           HN       ASN  79   7.184  -0.971  -4.266
  585    HA   ASN  79           HA       ASN  79   9.277  -2.866  -4.230
  586    HB2  ASN  79           HB2      ASN  79   8.012  -1.378  -6.555
  587    HB3  ASN  79           HB1      ASN  79   9.285  -2.556  -6.793
  588   HD21  ASN  79          HD21      ASN  79   8.311  -4.463  -4.837
  589   HD22  ASN  79          HD22      ASN  79   6.868  -5.132  -5.531
  590    H    GLY  80           HN       GLY  80   9.190   0.472  -5.397
  591    HA2  GLY  80           HA2      GLY  80  11.855   0.695  -6.227
  592    HA3  GLY  80           HA1      GLY  80  10.817   2.029  -5.735
  593    H    ALA  81           HN       ALA  81  10.351   1.475  -3.118
  594    HA   ALA  81           HA       ALA  81  12.650   2.403  -1.815
  595    HB1  ALA  81           HB1      ALA  81  11.425   2.003   0.262
  596    HB2  ALA  81           HB2      ALA  81  10.255   1.008  -0.604
  597    HB3  ALA  81           HB3      ALA  81  10.376   2.734  -0.950
  598    H    LEU  82           HN       LEU  82  11.369  -0.851  -2.206
  599    HA   LEU  82           HA       LEU  82  13.275  -2.144  -0.547
  600    HB2  LEU  82           HB2      LEU  82  11.510  -3.203  -2.739
  601    HB3  LEU  82           HB1      LEU  82  12.562  -4.223  -1.773
  602    HG   LEU  82           HG       LEU  82  10.297  -2.546  -0.700
  603   HD11  LEU  82          HD11      LEU  82   9.518  -4.437  -2.021
  604   HD12  LEU  82          HD12      LEU  82   9.211  -4.686  -0.303
  605   HD13  LEU  82          HD13      LEU  82  10.559  -5.515  -1.090
  606   HD21  LEU  82          HD21      LEU  82  12.112  -4.540   0.610
  607   HD22  LEU  82          HD22      LEU  82  10.720  -3.740   1.358
  608   HD23  LEU  82          HD23      LEU  82  12.123  -2.789   0.857
  609    H    ALA  83           HN       ALA  83  13.192  -1.324  -3.930
  610    HA   ALA  83           HA       ALA  83  15.498  -2.777  -4.682
  611    HB1  ALA  83           HB1      ALA  83  15.539  -1.337  -6.668
  612    HB2  ALA  83           HB2      ALA  83  14.365  -0.257  -5.912
  613    HB3  ALA  83           HB3      ALA  83  13.899  -1.903  -6.336
  614    H    GLU  84           HN       GLU  84  14.977   0.358  -3.260
  615    HA   GLU  84           HA       GLU  84  17.757   1.124  -3.422
  616    HB2  GLU  84           HB2      GLU  84  15.469   2.388  -1.888
  617    HB3  GLU  84           HB1      GLU  84  17.061   3.101  -2.121
  618    HG2  GLU  84           HG2      GLU  84  16.659   3.131  -4.548
  619    HG3  GLU  84           HG1      GLU  84  15.050   2.475  -4.269
  620    H    ALA  85           HN       ALA  85  16.081  -0.997  -1.556
  621    HA   ALA  85           HA       ALA  85  17.772  -0.627   0.813
  622    HB1  ALA  85           HB1      ALA  85  16.167  -2.087   1.967
  623    HB2  ALA  85           HB2      ALA  85  15.266  -2.286   0.462
  624    HB3  ALA  85           HB3      ALA  85  15.350  -0.706   1.233
  625    H    ALA  86           HN       ALA  86  18.194  -1.947  -1.946
  626    HA   ALA  86           HA       ALA  86  19.237  -4.492  -0.938
  627    HB1  ALA  86           HB1      ALA  86  17.452  -4.819  -2.592
  628    HB2  ALA  86           HB2      ALA  86  19.008  -5.353  -3.227
  629    HB3  ALA  86           HB3      ALA  86  18.330  -3.806  -3.741
  630    H28  SXV  87          H28A      SXV  87  -5.884  13.193   4.405
  631   H28A  SXV  87          H28B      SXV  87  -4.643  11.998   4.044
  632    H30  SXV  87          H30C      SXV  87  -3.185  12.847   5.705
  633   H30A  SXV  87          H30A      SXV  87  -4.435  14.006   6.159
  634   H30B  SXV  87          H30B      SXV  87  -2.800  14.567   5.818
  635    H31  SXV  87          H31C      SXV  87  -1.932  14.516   3.463
  636   H31A  SXV  87          H31A      SXV  87  -2.923  13.769   2.207
  637   H31B  SXV  87          H31B      SXV  87  -2.270  12.788   3.515
  638    H32  SXV  87          H32A      SXV  87  -3.681  16.223   4.149
  639   HO33  SXV  87          H33A      SXV  87  -6.360  15.576   4.184
  640   HN36  SXV  87          H36A      SXV  87  -3.109  15.795   1.712
  641    H37  SXV  87          H37B      SXV  87  -5.452  16.183  -0.049
  642   H37A  SXV  87          H37A      SXV  87  -3.938  15.402  -0.516
  643    H38  SXV  87          H38B      SXV  87  -3.888  17.528  -1.478
  644   H38A  SXV  87          H38A      SXV  87  -2.738  17.557  -0.174
  645   HN41  SXV  87          H41A      SXV  87  -3.321  19.935  -0.900
  646    H42  SXV  87          H42B      SXV  87  -4.051  21.579   0.955
  647   H42A  SXV  87          H42A      SXV  87  -5.656  21.019   0.504
  648    H43  SXV  87          H43B      SXV  87  -5.331  21.819  -1.727
  649   H43A  SXV  87          H43A      SXV  87  -4.983  23.125  -0.600
  650    H1   SXV  87           H1B      SXV  87  -4.161  23.105  -3.654
  651    H1A  SXV  87           H1A      SXV  87  -3.779  24.451  -2.559
  652    H2   SXV  87           H2A      SXV  87  -1.780  23.068  -4.287
  653    H2A  SXV  87           H2B      SXV  87  -1.462  24.373  -3.144
  654    H4   SXV  87           H4C      SXV  87  -4.034  26.124  -3.945
  655    H4A  SXV  87           H4A      SXV  87  -3.243  26.923  -5.307
  656    H4B  SXV  87           H4B      SXV  87  -2.401  26.776  -3.759
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  20.399  -8.851  -3.969
    2    H2   MET   1           HT2      MET   1  20.660  -7.351  -4.685
    3    H3   MET   1           HT3      MET   1  21.130  -8.757  -5.510
    4    HA   MET   1           HA       MET   1  19.098  -7.765  -6.366
    5    HB2  MET   1           HB2      MET   1  18.648 -10.345  -4.846
    6    HB3  MET   1           HB1      MET   1  17.483  -9.673  -5.972
    7    HG2  MET   1           HG2      MET   1  19.197  -9.842  -7.756
    8    HG3  MET   1           HG1      MET   1  20.259 -10.646  -6.595
    9    HE1  MET   1           HE1      MET   1  20.490 -12.716  -8.269
   10    HE2  MET   1           HE2      MET   1  19.421 -11.911  -9.416
   11    HE3  MET   1           HE3      MET   1  19.109 -13.582  -8.940
   12    H    ALA   2           HN       ALA   2  16.824  -7.323  -5.971
   13    HA   ALA   2           HA       ALA   2  16.622  -5.848  -3.488
   14    HB1  ALA   2           HB1      ALA   2  16.093  -4.736  -5.597
   15    HB2  ALA   2           HB2      ALA   2  14.684  -4.811  -4.544
   16    HB3  ALA   2           HB3      ALA   2  14.828  -5.924  -5.908
   17    H    THR   3           HN       THR   3  15.091  -6.244  -1.929
   18    HA   THR   3           HA       THR   3  13.790  -8.850  -1.950
   19    HB   THR   3           HB       THR   3  13.678  -6.669   0.054
   20    HG1  THR   3           HG1      THR   3  15.791  -8.281  -0.694
   21   HG21  THR   3          HG21      THR   3  13.450  -9.673   0.328
   22   HG22  THR   3          HG22      THR   3  12.127  -8.510   0.440
   23   HG23  THR   3          HG23      THR   3  13.385  -8.537   1.676
   24    H    LEU   4           HN       LEU   4  11.881  -8.740  -3.174
   25    HA   LEU   4           HA       LEU   4  10.319  -6.279  -2.866
   26    HB2  LEU   4           HB2      LEU   4  10.272  -8.270  -5.129
   27    HB3  LEU   4           HB1      LEU   4   9.320  -6.803  -5.026
   28    HG   LEU   4           HG       LEU   4  12.325  -6.954  -5.284
   29   HD11  LEU   4          HD11      LEU   4  11.953  -5.996  -7.495
   30   HD12  LEU   4          HD12      LEU   4  10.210  -6.098  -7.244
   31   HD13  LEU   4          HD13      LEU   4  11.177  -7.572  -7.325
   32   HD21  LEU   4          HD21      LEU   4  11.646  -5.012  -3.971
   33   HD22  LEU   4          HD22      LEU   4  10.494  -4.556  -5.225
   34   HD23  LEU   4          HD23      LEU   4  12.225  -4.521  -5.563
   35    H    LEU   5           HN       LEU   5   8.215  -6.397  -2.333
   36    HA   LEU   5           HA       LEU   5   7.243  -9.000  -1.522
   37    HB2  LEU   5           HB2      LEU   5   5.485  -7.745  -0.271
   38    HB3  LEU   5           HB1      LEU   5   7.106  -7.388   0.251
   39    HG   LEU   5           HG       LEU   5   6.924  -5.221  -1.097
   40   HD11  LEU   5          HD11      LEU   5   4.003  -5.933  -1.072
   41   HD12  LEU   5          HD12      LEU   5   5.031  -5.804  -2.500
   42   HD13  LEU   5          HD13      LEU   5   4.689  -4.374  -1.529
   43   HD21  LEU   5          HD21      LEU   5   5.063  -5.666   1.209
   44   HD22  LEU   5          HD22      LEU   5   5.655  -4.095   0.652
   45   HD23  LEU   5          HD23      LEU   5   6.780  -5.286   1.310
   46    H    THR   6           HN       THR   6   5.091  -9.664  -2.119
   47    HA   THR   6           HA       THR   6   4.603  -8.884  -4.854
   48    HB   THR   6           HB       THR   6   3.163 -10.961  -4.843
   49    HG1  THR   6           HG1      THR   6   4.258 -12.194  -2.774
   50   HG21  THR   6          HG21      THR   6   5.104 -12.476  -4.861
   51   HG22  THR   6          HG22      THR   6   6.066 -11.241  -4.044
   52   HG23  THR   6          HG23      THR   6   5.469 -10.957  -5.680
   53    H    THR   7           HN       THR   7   2.051  -9.317  -5.392
   54    HA   THR   7           HA       THR   7   0.732  -7.134  -4.195
   55    HB   THR   7           HB       THR   7  -0.525  -9.281  -5.925
   56    HG1  THR   7           HG1      THR   7   0.111  -7.915  -7.639
   57   HG21  THR   7          HG21      THR   7  -1.965  -7.419  -6.651
   58   HG22  THR   7          HG22      THR   7  -1.103  -6.327  -5.564
   59   HG23  THR   7          HG23      THR   7  -2.072  -7.642  -4.904
   60    H    ASP   8           HN       ASP   8   0.465 -10.670  -3.828
   61    HA   ASP   8           HA       ASP   8  -1.711 -10.546  -2.006
   62    HB2  ASP   8           HB2      ASP   8   0.162 -12.676  -2.850
   63    HB3  ASP   8           HB1      ASP   8  -0.533 -12.865  -1.247
   64    H    ASP   9           HN       ASP   9   1.602  -9.907  -1.628
   65    HA   ASP   9           HA       ASP   9   1.585 -10.245   1.234
   66    HB2  ASP   9           HB2      ASP   9   3.707 -10.361  -0.169
   67    HB3  ASP   9           HB1      ASP   9   3.556  -8.626  -0.404
   68    H    LEU  10           HN       LEU  10   1.421  -7.602  -1.077
   69    HA   LEU  10           HA       LEU  10   1.022  -5.484   0.714
   70    HB2  LEU  10           HB2      LEU  10   1.525  -5.190  -1.680
   71    HB3  LEU  10           HB1      LEU  10  -0.050  -5.834  -2.094
   72    HG   LEU  10           HG       LEU  10  -1.104  -3.892  -0.965
   73   HD11  LEU  10          HD11      LEU  10   0.270  -1.959  -0.384
   74   HD12  LEU  10          HD12      LEU  10   1.725  -2.898  -0.714
   75   HD13  LEU  10          HD13      LEU  10   0.659  -3.362   0.612
   76   HD21  LEU  10          HD21      LEU  10   0.884  -3.209  -3.129
   77   HD22  LEU  10          HD22      LEU  10  -0.532  -2.252  -2.695
   78   HD23  LEU  10          HD23      LEU  10  -0.733  -3.867  -3.372
   79    H    ARG  11           HN       ARG  11  -1.198  -7.717  -0.808
   80    HA   ARG  11           HA       ARG  11  -3.706  -6.892  -0.042
   81    HB2  ARG  11           HB2      ARG  11  -3.352  -8.835  -1.427
   82    HB3  ARG  11           HB1      ARG  11  -2.498  -9.648  -0.137
   83    HG2  ARG  11           HG2      ARG  11  -4.619  -9.727   1.145
   84    HG3  ARG  11           HG1      ARG  11  -5.442  -9.051  -0.274
   85    HD2  ARG  11           HD2      ARG  11  -4.691 -10.918  -1.622
   86    HD3  ARG  11           HD1      ARG  11  -3.802 -11.572  -0.251
   87    HE   ARG  11           HE       ARG  11  -6.373 -11.379   0.616
   88   HH11  ARG  11          HH11      ARG  11  -4.677 -13.085  -1.981
   89   HH12  ARG  11          HH12      ARG  11  -5.845 -14.292  -2.187
   90   HH21  ARG  11          HH21      ARG  11  -7.933 -13.068   0.456
   91   HH22  ARG  11          HH22      ARG  11  -7.769 -14.306  -0.732
   92    H    ARG  12           HN       ARG  12  -1.612  -9.091   1.779
   93    HA   ARG  12           HA       ARG  12  -3.283  -9.215   4.047
   94    HB2  ARG  12           HB2      ARG  12  -0.406  -9.948   3.616
   95    HB3  ARG  12           HB1      ARG  12  -1.259 -10.239   5.129
   96    HG2  ARG  12           HG2      ARG  12  -2.799 -11.713   4.061
   97    HG3  ARG  12           HG1      ARG  12  -2.169 -11.289   2.466
   98    HD2  ARG  12           HD2      ARG  12  -0.518 -12.565   4.625
   99    HD3  ARG  12           HD1      ARG  12  -1.383 -13.480   3.391
  100    HE   ARG  12           HE       ARG  12  -0.044 -12.336   1.740
  101   HH11  ARG  12          HH11      ARG  12   1.155 -12.000   5.058
  102   HH12  ARG  12          HH12      ARG  12   2.797 -12.120   4.635
  103   HH21  ARG  12          HH21      ARG  12   2.285 -12.451   1.140
  104   HH22  ARG  12          HH22      ARG  12   3.427 -12.257   2.382
  105    H    ALA  13           HN       ALA  13  -0.507  -7.253   3.241
  106    HA   ALA  13           HA       ALA  13  -0.126  -6.025   5.746
  107    HB1  ALA  13           HB1      ALA  13   1.104  -4.338   4.500
  108    HB2  ALA  13           HB2      ALA  13   0.445  -4.961   2.991
  109    HB3  ALA  13           HB3      ALA  13   1.531  -5.962   3.960
  110    H    LEU  14           HN       LEU  14  -2.174  -5.255   3.000
  111    HA   LEU  14           HA       LEU  14  -3.031  -2.733   3.904
  112    HB2  LEU  14           HB2      LEU  14  -3.177  -3.602   1.558
  113    HB3  LEU  14           HB1      LEU  14  -4.471  -4.659   2.069
  114    HG   LEU  14           HG       LEU  14  -5.835  -2.652   2.636
  115   HD11  LEU  14          HD11      LEU  14  -4.017  -1.077   3.027
  116   HD12  LEU  14          HD12      LEU  14  -5.127  -0.474   1.799
  117   HD13  LEU  14          HD13      LEU  14  -3.571  -1.156   1.323
  118   HD21  LEU  14          HD21      LEU  14  -6.313  -2.036   0.323
  119   HD22  LEU  14          HD22      LEU  14  -6.085  -3.774   0.488
  120   HD23  LEU  14          HD23      LEU  14  -4.798  -2.778  -0.190
  121    H    VAL  15           HN       VAL  15  -4.019  -5.986   4.616
  122    HA   VAL  15           HA       VAL  15  -6.483  -5.198   5.848
  123    HB   VAL  15           HB       VAL  15  -5.020  -7.856   6.135
  124   HG11  VAL  15          HG11      VAL  15  -7.189  -8.794   6.766
  125   HG12  VAL  15          HG12      VAL  15  -7.911  -7.188   6.682
  126   HG13  VAL  15          HG13      VAL  15  -6.679  -7.537   7.894
  127   HG21  VAL  15          HG21      VAL  15  -7.213  -7.069   4.221
  128   HG22  VAL  15          HG22      VAL  15  -6.556  -8.693   4.416
  129   HG23  VAL  15          HG23      VAL  15  -5.530  -7.394   3.807
  130    H    GLU  16           HN       GLU  16  -3.245  -5.128   6.818
  131    HA   GLU  16           HA       GLU  16  -3.545  -5.527   9.599
  132    HB2  GLU  16           HB2      GLU  16  -1.351  -4.130   8.057
  133    HB3  GLU  16           HB1      GLU  16  -1.337  -4.378   9.796
  134    HG2  GLU  16           HG2      GLU  16  -1.472  -6.564   7.734
  135    HG3  GLU  16           HG1      GLU  16  -0.050  -6.059   8.653
  136    H    SER  17           HN       SER  17  -3.719  -2.669   7.576
  137    HA   SER  17           HA       SER  17  -3.711  -0.775   9.643
  138    HB2  SER  17           HB2      SER  17  -5.016  -0.479   6.947
  139    HB3  SER  17           HB1      SER  17  -4.255   0.761   7.944
  140    HG   SER  17           HG       SER  17  -3.046  -0.209   6.106
  141    H    ALA  18           HN       ALA  18  -6.415  -1.983   7.648
  142    HA   ALA  18           HA       ALA  18  -8.411  -0.685   9.157
  143    HB1  ALA  18           HB1      ALA  18  -8.716  -3.011   7.274
  144    HB2  ALA  18           HB2      ALA  18  -8.685  -1.310   6.807
  145    HB3  ALA  18           HB3      ALA  18  -9.994  -1.923   7.817
  146    H    GLY  19           HN       GLY  19  -7.328  -4.074   9.127
  147    HA2  GLY  19           HA2      GLY  19  -7.403  -5.331  11.179
  148    HA3  GLY  19           HA1      GLY  19  -8.880  -4.458  11.594
  149    H    GLU  20           HN       GLU  20 -10.743  -4.753  10.113
  150    HA   GLU  20           HA       GLU  20 -10.651  -7.421   8.903
  151    HB2  GLU  20           HB2      GLU  20 -13.043  -6.059  10.122
  152    HB3  GLU  20           HB1      GLU  20 -13.077  -7.582   9.261
  153    HG2  GLU  20           HG2      GLU  20 -11.461  -8.427  11.025
  154    HG3  GLU  20           HG1      GLU  20 -11.882  -6.968  11.932
  155    H    THR  21           HN       THR  21 -11.107  -7.586   6.857
  156    HA   THR  21           HA       THR  21 -12.240  -5.281   5.501
  157    HB   THR  21           HB       THR  21 -11.210  -6.497   3.472
  158    HG1  THR  21           HG1      THR  21  -9.974  -8.132   3.822
  159   HG21  THR  21          HG21      THR  21  -8.980  -5.536   3.907
  160   HG22  THR  21          HG22      THR  21  -9.385  -5.382   5.619
  161   HG23  THR  21          HG23      THR  21 -10.260  -4.436   4.417
  162    H    ASP  22           HN       ASP  22 -14.264  -6.250   6.479
  163    HA   ASP  22           HA       ASP  22 -15.169  -8.785   5.474
  164    HB2  ASP  22           HB2      ASP  22 -17.237  -8.385   6.703
  165    HB3  ASP  22           HB1      ASP  22 -15.856  -8.012   7.723
  166    H    GLY  23           HN       GLY  23 -15.543  -5.463   4.598
  167    HA2  GLY  23           HA2      GLY  23 -17.376  -6.279   2.442
  168    HA3  GLY  23           HA1      GLY  23 -17.357  -4.671   3.172
  169    H    THR  24           HN       THR  24 -14.812  -6.809   2.145
  170    HA   THR  24           HA       THR  24 -13.991  -4.959   0.088
  171    HB   THR  24           HB       THR  24 -12.205  -5.664   2.436
  172    HG1  THR  24           HG1      THR  24 -13.952  -3.661   1.973
  173   HG21  THR  24          HG21      THR  24 -10.969  -5.451   0.309
  174   HG22  THR  24          HG22      THR  24 -10.602  -4.111   1.398
  175   HG23  THR  24          HG23      THR  24 -11.705  -3.870   0.047
  176    H    ASP  25           HN       ASP  25 -14.537  -6.822  -1.194
  177    HA   ASP  25           HA       ASP  25 -12.931  -9.198  -0.945
  178    HB2  ASP  25           HB2      ASP  25 -15.128  -9.257  -2.143
  179    HB3  ASP  25           HB1      ASP  25 -14.468  -8.180  -3.368
  180    H    LEU  26           HN       LEU  26 -10.908  -8.586  -0.821
  181    HA   LEU  26           HA       LEU  26  -9.796  -6.597  -2.590
  182    HB2  LEU  26           HB2      LEU  26  -9.330  -6.756  -0.124
  183    HB3  LEU  26           HB1      LEU  26  -8.462  -8.240  -0.437
  184    HG   LEU  26           HG       LEU  26  -6.820  -6.983  -1.777
  185   HD11  LEU  26          HD11      LEU  26  -6.882  -4.539  -1.747
  186   HD12  LEU  26          HD12      LEU  26  -8.429  -4.585  -0.897
  187   HD13  LEU  26          HD13      LEU  26  -8.308  -5.201  -2.545
  188   HD21  LEU  26          HD21      LEU  26  -6.475  -7.332   0.641
  189   HD22  LEU  26          HD22      LEU  26  -7.299  -5.800   0.963
  190   HD23  LEU  26          HD23      LEU  26  -5.776  -5.814   0.081
  191    H    SER  27           HN       SER  27  -9.247  -9.969  -1.737
  192    HA   SER  27           HA       SER  27  -8.546 -11.771  -2.872
  193    HB2  SER  27           HB2      SER  27 -10.222 -11.004  -4.581
  194    HB3  SER  27           HB1      SER  27  -8.945 -10.098  -5.381
  195    HG   SER  27           HG       SER  27  -9.644 -12.403  -5.981
  196    H    GLY  28           HN       GLY  28  -6.833 -12.268  -4.879
  197    HA2  GLY  28           HA2      GLY  28  -4.354 -11.370  -3.721
  198    HA3  GLY  28           HA1      GLY  28  -4.544 -12.561  -4.996
  199    H    ASP  29           HN       ASP  29  -6.277 -10.413  -6.389
  200    HA   ASP  29           HA       ASP  29  -4.071  -8.703  -7.238
  201    HB2  ASP  29           HB2      ASP  29  -4.240 -10.479  -8.937
  202    HB3  ASP  29           HB1      ASP  29  -5.952 -10.120  -9.146
  203    H    PHE  30           HN       PHE  30  -4.584  -6.782  -6.862
  204    HA   PHE  30           HA       PHE  30  -7.228  -5.714  -7.498
  205    HB2  PHE  30           HB2      PHE  30  -7.350  -4.618  -5.271
  206    HB3  PHE  30           HB1      PHE  30  -7.378  -6.370  -5.131
  207    HD1  PHE  30           HD2      PHE  30  -5.323  -7.562  -4.321
  208    HD2  PHE  30           HD1      PHE  30  -5.631  -3.317  -4.266
  209    HE1  PHE  30           HE2      PHE  30  -3.447  -7.448  -2.736
  210    HE2  PHE  30           HE1      PHE  30  -3.759  -3.203  -2.686
  211    HZ   PHE  30           HZ       PHE  30  -2.694  -5.260  -1.885
  212    H    LEU  31           HN       LEU  31  -4.436  -5.557  -8.573
  213    HA   LEU  31           HA       LEU  31  -3.098  -3.361  -7.530
  214    HB2  LEU  31           HB2      LEU  31  -2.275  -5.487  -8.681
  215    HB3  LEU  31           HB1      LEU  31  -2.754  -4.693 -10.174
  216    HG   LEU  31           HG       LEU  31  -1.399  -2.873  -9.634
  217   HD11  LEU  31          HD11      LEU  31  -1.226  -3.119  -7.216
  218   HD12  LEU  31          HD12      LEU  31   0.405  -3.175  -7.886
  219   HD13  LEU  31          HD13      LEU  31  -0.400  -4.667  -7.401
  220   HD21  LEU  31          HD21      LEU  31   0.020  -5.527  -9.833
  221   HD22  LEU  31          HD22      LEU  31   0.771  -3.974 -10.201
  222   HD23  LEU  31          HD23      LEU  31  -0.589  -4.548 -11.168
  223    H    ASP  32           HN       ASP  32  -5.548  -3.822  -9.946
  224    HA   ASP  32           HA       ASP  32  -4.911  -1.298 -11.292
  225    HB2  ASP  32           HB2      ASP  32  -5.272  -3.293 -12.662
  226    HB3  ASP  32           HB1      ASP  32  -6.887  -3.465 -11.994
  227    H    LEU  33           HN       LEU  33  -7.093  -2.440  -8.912
  228    HA   LEU  33           HA       LEU  33  -9.268  -0.791  -9.799
  229    HB2  LEU  33           HB2      LEU  33 -10.511  -1.659  -7.807
  230    HB3  LEU  33           HB1      LEU  33 -10.006  -2.848  -8.980
  231    HG   LEU  33           HG       LEU  33  -8.133  -3.473  -7.417
  232   HD11  LEU  33          HD11      LEU  33  -8.015  -1.438  -6.088
  233   HD12  LEU  33          HD12      LEU  33  -8.307  -2.850  -5.072
  234   HD13  LEU  33          HD13      LEU  33  -9.632  -1.750  -5.452
  235   HD21  LEU  33          HD21      LEU  33 -10.161  -4.787  -7.587
  236   HD22  LEU  33          HD22      LEU  33 -10.947  -3.753  -6.392
  237   HD23  LEU  33          HD23      LEU  33  -9.573  -4.758  -5.927
  238    H    ARG  34           HN       ARG  34 -10.549   0.350  -7.954
  239    HA   ARG  34           HA       ARG  34  -8.854   2.553  -7.109
  240    HB2  ARG  34           HB2      ARG  34 -11.827   2.129  -7.173
  241    HB3  ARG  34           HB1      ARG  34 -11.087   3.530  -6.422
  242    HG2  ARG  34           HG2      ARG  34 -10.769   2.750  -9.303
  243    HG3  ARG  34           HG1      ARG  34 -11.901   3.961  -8.690
  244    HD2  ARG  34           HD2      ARG  34  -9.977   5.182  -7.719
  245    HD3  ARG  34           HD1      ARG  34  -8.901   4.018  -8.485
  246    HE   ARG  34           HE       ARG  34 -10.499   4.960 -10.473
  247   HH11  ARG  34          HH11      ARG  34  -8.187   6.372  -8.167
  248   HH12  ARG  34          HH12      ARG  34  -7.658   7.580  -9.230
  249   HH21  ARG  34          HH21      ARG  34  -9.921   6.788 -11.849
  250   HH22  ARG  34          HH22      ARG  34  -8.743   7.912 -11.306
  251    H    PHE  35           HN       PHE  35  -8.749   3.325  -5.018
  252    HA   PHE  35           HA       PHE  35  -8.905   1.402  -2.925
  253    HB2  PHE  35           HB2      PHE  35  -8.400   4.390  -2.866
  254    HB3  PHE  35           HB1      PHE  35  -8.269   3.335  -1.463
  255    HD1  PHE  35           HD2      PHE  35  -6.612   1.394  -1.628
  256    HD2  PHE  35           HD1      PHE  35  -6.539   4.754  -4.257
  257    HE1  PHE  35           HE2      PHE  35  -4.276   0.899  -2.205
  258    HE2  PHE  35           HE1      PHE  35  -4.221   4.254  -4.826
  259    HZ   PHE  35           HZ       PHE  35  -3.078   2.335  -3.802
  260    H    GLU  36           HN       GLU  36 -10.888   3.856  -4.218
  261    HA   GLU  36           HA       GLU  36 -12.794   4.414  -2.316
  262    HB2  GLU  36           HB2      GLU  36 -12.601   5.403  -4.588
  263    HB3  GLU  36           HB1      GLU  36 -13.245   3.917  -5.261
  264    HG2  GLU  36           HG2      GLU  36 -14.962   5.593  -5.153
  265    HG3  GLU  36           HG1      GLU  36 -15.330   4.295  -4.016
  266    H    ASP  37           HN       ASP  37 -12.547   1.611  -4.451
  267    HA   ASP  37           HA       ASP  37 -15.107   0.573  -3.711
  268    HB2  ASP  37           HB2      ASP  37 -14.094   0.097  -5.911
  269    HB3  ASP  37           HB1      ASP  37 -12.832  -0.837  -5.113
  270    H    ILE  38           HN       ILE  38 -11.852   0.156  -2.598
  271    HA   ILE  38           HA       ILE  38 -12.674  -2.114  -0.979
  272    HB   ILE  38           HB       ILE  38 -10.283  -2.468  -0.472
  273   HG12  ILE  38          HG12      ILE  38  -9.837  -0.181  -2.419
  274   HG13  ILE  38          HG11      ILE  38  -9.540  -0.112  -0.686
  275   HG21  ILE  38          HG21      ILE  38 -10.984  -2.234  -3.388
  276   HG22  ILE  38          HG22      ILE  38 -11.342  -3.602  -2.332
  277   HG23  ILE  38          HG23      ILE  38  -9.664  -3.213  -2.737
  278   HD11  ILE  38          HD11      ILE  38  -7.473  -0.391  -1.937
  279   HD12  ILE  38          HD12      ILE  38  -8.096  -1.872  -2.664
  280   HD13  ILE  38          HD13      ILE  38  -7.789  -1.803  -0.929
  281    H    GLY  39           HN       GLY  39 -13.133   0.856  -0.529
  282    HA2  GLY  39           HA2      GLY  39 -13.584   2.138   1.325
  283    HA3  GLY  39           HA1      GLY  39 -13.327   0.687   2.280
  284    H    TYR  40           HN       TYR  40 -11.030   2.437   0.220
  285    HA   TYR  40           HA       TYR  40  -9.560   3.084   2.635
  286    HB2  TYR  40           HB2      TYR  40  -8.609   1.564   0.288
  287    HB3  TYR  40           HB1      TYR  40  -7.508   2.792   0.912
  288    HD1  TYR  40           HD1      TYR  40  -6.738   2.689   3.195
  289    HD2  TYR  40           HD2      TYR  40  -9.023  -0.482   1.544
  290    HE1  TYR  40           HE1      TYR  40  -6.051   1.270   5.041
  291    HE2  TYR  40           HE2      TYR  40  -8.329  -1.949   3.411
  292    HH   TYR  40           HH       TYR  40  -6.355  -2.000   5.086
  293    H    ASP  41           HN       ASP  41  -8.500   4.960   2.740
  294    HA   ASP  41           HA       ASP  41  -8.665   6.779   0.474
  295    HB2  ASP  41           HB2      ASP  41 -10.601   7.212   2.082
  296    HB3  ASP  41           HB1      ASP  41  -9.386   7.517   3.322
  297    H    SER  42           HN       SER  42  -7.326   8.918   1.578
  298    HA   SER  42           HA       SER  42  -4.722   7.892   1.295
  299    HB2  SER  42           HB2      SER  42  -4.062  10.268   1.679
  300    HB3  SER  42           HB1      SER  42  -5.215  10.008   0.365
  301    H    LEU  43           HN       LEU  43  -6.551   9.018   4.004
  302    HA   LEU  43           HA       LEU  43  -4.523   9.202   5.913
  303    HB2  LEU  43           HB2      LEU  43  -7.403   8.397   6.221
  304    HB3  LEU  43           HB1      LEU  43  -6.337   8.748   7.562
  305    HG   LEU  43           HG       LEU  43  -7.185  10.708   5.425
  306   HD11  LEU  43          HD11      LEU  43  -7.972  10.474   8.321
  307   HD12  LEU  43          HD12      LEU  43  -8.999  10.121   6.932
  308   HD13  LEU  43          HD13      LEU  43  -8.445  11.770   7.223
  309   HD21  LEU  43          HD21      LEU  43  -4.940  11.176   6.276
  310   HD22  LEU  43          HD22      LEU  43  -5.551  11.123   7.930
  311   HD23  LEU  43          HD23      LEU  43  -6.098  12.387   6.828
  312    H    ALA  44           HN       ALA  44  -6.681   6.466   5.229
  313    HA   ALA  44           HA       ALA  44  -5.291   4.664   6.905
  314    HB1  ALA  44           HB1      ALA  44  -7.654   4.417   6.278
  315    HB2  ALA  44           HB2      ALA  44  -6.705   2.970   5.940
  316    HB3  ALA  44           HB3      ALA  44  -7.152   4.054   4.625
  317    H    LEU  45           HN       LEU  45  -4.837   5.654   3.625
  318    HA   LEU  45           HA       LEU  45  -3.191   3.469   2.869
  319    HB2  LEU  45           HB2      LEU  45  -3.401   6.250   1.747
  320    HB3  LEU  45           HB1      LEU  45  -2.391   5.002   1.045
  321    HG   LEU  45           HG       LEU  45  -5.389   4.885   1.322
  322   HD11  LEU  45          HD11      LEU  45  -5.397   5.065  -1.108
  323   HD12  LEU  45          HD12      LEU  45  -3.643   5.274  -1.097
  324   HD13  LEU  45          HD13      LEU  45  -4.685   6.490  -0.351
  325   HD21  LEU  45          HD21      LEU  45  -4.363   2.686   1.502
  326   HD22  LEU  45          HD22      LEU  45  -3.450   2.984   0.020
  327   HD23  LEU  45          HD23      LEU  45  -5.207   2.859  -0.038
  328    H    MET  46           HN       MET  46  -2.490   6.669   4.181
  329    HA   MET  46           HA       MET  46   0.321   6.329   4.260
  330    HB2  MET  46           HB2      MET  46  -1.451   8.041   6.029
  331    HB3  MET  46           HB1      MET  46   0.303   8.126   6.002
  332    HG2  MET  46           HG2      MET  46   0.247   8.842   3.663
  333    HG3  MET  46           HG1      MET  46  -1.518   8.695   3.688
  334    HE1  MET  46           HE1      MET  46  -3.111  10.302   5.077
  335    HE2  MET  46           HE2      MET  46  -2.521  11.563   6.155
  336    HE3  MET  46           HE3      MET  46  -2.245   9.866   6.547
  337    H    GLU  47           HN       GLU  47  -2.259   5.552   6.457
  338    HA   GLU  47           HA       GLU  47  -0.811   4.581   8.627
  339    HB2  GLU  47           HB2      GLU  47  -3.226   5.006   8.632
  340    HB3  GLU  47           HB1      GLU  47  -3.471   3.703   7.497
  341    HG2  GLU  47           HG2      GLU  47  -2.909   2.052   9.111
  342    HG3  GLU  47           HG1      GLU  47  -2.349   3.278  10.253
  343    H    THR  48           HN       THR  48  -2.017   2.860   5.761
  344    HA   THR  48           HA       THR  48  -0.933   0.335   6.308
  345    HB   THR  48           HB       THR  48  -1.416   1.585   3.579
  346    HG1  THR  48           HG1      THR  48  -3.338   1.637   4.757
  347   HG21  THR  48          HG21      THR  48  -1.709  -0.759   2.831
  348   HG22  THR  48          HG22      THR  48  -1.294  -1.329   4.445
  349   HG23  THR  48          HG23      THR  48  -0.089  -0.497   3.471
  350    H    ALA  49           HN       ALA  49   0.422   3.075   4.487
  351    HA   ALA  49           HA       ALA  49   2.831   1.933   3.688
  352    HB1  ALA  49           HB1      ALA  49   2.319   4.799   4.496
  353    HB2  ALA  49           HB2      ALA  49   2.032   4.117   2.895
  354    HB3  ALA  49           HB3      ALA  49   3.675   4.231   3.521
  355    H    ALA  50           HN       ALA  50   2.002   3.642   6.669
  356    HA   ALA  50           HA       ALA  50   4.480   3.600   7.942
  357    HB1  ALA  50           HB1      ALA  50   2.569   4.915   8.715
  358    HB2  ALA  50           HB2      ALA  50   3.221   3.909  10.009
  359    HB3  ALA  50           HB3      ALA  50   1.733   3.435   9.186
  360    H    ARG  51           HN       ARG  51   1.887   1.227   7.901
  361    HA   ARG  51           HA       ARG  51   2.858  -0.626   9.777
  362    HB2  ARG  51           HB2      ARG  51   1.314  -1.242   7.239
  363    HB3  ARG  51           HB1      ARG  51   1.482  -2.308   8.620
  364    HG2  ARG  51           HG2      ARG  51   0.106   0.374   8.702
  365    HG3  ARG  51           HG1      ARG  51  -0.720  -1.159   8.442
  366    HD2  ARG  51           HD2      ARG  51  -0.918  -0.469  10.754
  367    HD3  ARG  51           HD1      ARG  51   0.054  -1.929  10.638
  368    HE   ARG  51           HE       ARG  51   1.512   0.560  10.711
  369   HH11  ARG  51          HH11      ARG  51   0.138  -2.080  12.657
  370   HH12  ARG  51          HH12      ARG  51   1.239  -1.886  13.947
  371   HH21  ARG  51          HH21      ARG  51   3.010   0.846  12.503
  372   HH22  ARG  51          HH22      ARG  51   2.878  -0.146  13.874
  373    H    LEU  52           HN       LEU  52   3.313  -0.472   6.303
  374    HA   LEU  52           HA       LEU  52   5.091  -2.664   6.279
  375    HB2  LEU  52           HB2      LEU  52   4.384  -0.680   4.150
  376    HB3  LEU  52           HB1      LEU  52   5.565  -1.956   3.897
  377    HG   LEU  52           HG       LEU  52   2.686  -2.406   4.684
  378   HD11  LEU  52          HD11      LEU  52   2.885  -1.622   2.386
  379   HD12  LEU  52          HD12      LEU  52   2.432  -3.323   2.446
  380   HD13  LEU  52          HD13      LEU  52   4.091  -2.865   2.059
  381   HD21  LEU  52          HD21      LEU  52   4.192  -4.084   5.575
  382   HD22  LEU  52          HD22      LEU  52   4.886  -4.331   3.975
  383   HD23  LEU  52          HD23      LEU  52   3.200  -4.754   4.282
  384    H    GLU  53           HN       GLU  53   5.678   0.751   6.657
  385    HA   GLU  53           HA       GLU  53   8.418   0.673   6.139
  386    HB2  GLU  53           HB2      GLU  53   6.969   2.344   8.191
  387    HB3  GLU  53           HB1      GLU  53   8.641   2.576   7.737
  388    HG2  GLU  53           HG2      GLU  53   7.850   3.030   5.412
  389    HG3  GLU  53           HG1      GLU  53   6.201   3.002   6.051
  390    H    SER  54           HN       SER  54   6.621   0.195   9.145
  391    HA   SER  54           HA       SER  54   8.804  -0.396  10.809
  392    HB2  SER  54           HB2      SER  54   5.909  -1.243  11.089
  393    HB3  SER  54           HB1      SER  54   7.109  -1.187  12.381
  394    HG   SER  54           HG       SER  54   7.287   1.147  11.491
  395    H    ARG  55           HN       ARG  55   7.133  -2.288   8.504
  396    HA   ARG  55           HA       ARG  55   7.961  -4.820   9.646
  397    HB2  ARG  55           HB2      ARG  55   5.722  -4.615   8.729
  398    HB3  ARG  55           HB1      ARG  55   6.377  -4.188   7.159
  399    HG2  ARG  55           HG2      ARG  55   7.355  -6.427   6.973
  400    HG3  ARG  55           HG1      ARG  55   6.676  -6.845   8.548
  401    HD2  ARG  55           HD2      ARG  55   4.434  -6.536   7.722
  402    HD3  ARG  55           HD1      ARG  55   5.046  -5.928   6.184
  403    HE   ARG  55           HE       ARG  55   5.627  -8.656   7.078
  404   HH11  ARG  55          HH11      ARG  55   4.097  -6.483   4.728
  405   HH12  ARG  55          HH12      ARG  55   4.014  -7.680   3.499
  406   HH21  ARG  55          HH21      ARG  55   5.380 -10.290   5.389
  407   HH22  ARG  55          HH22      ARG  55   4.678  -9.843   3.889
  408    H    TYR  56           HN       TYR  56   8.865  -2.790   6.867
  409    HA   TYR  56           HA       TYR  56  10.852  -4.845   6.163
  410    HB2  TYR  56           HB2      TYR  56   9.452  -2.852   4.416
  411    HB3  TYR  56           HB1      TYR  56  10.925  -3.662   3.902
  412    HD1  TYR  56           HD1      TYR  56   7.361  -4.113   4.679
  413    HD2  TYR  56           HD2      TYR  56  10.932  -6.001   3.342
  414    HE1  TYR  56           HE1      TYR  56   6.057  -6.045   3.914
  415    HE2  TYR  56           HE2      TYR  56   9.630  -7.936   2.569
  416    HH   TYR  56           HH       TYR  56   6.175  -7.909   2.394
  417    H    GLY  57           HN       GLY  57  10.678  -1.647   7.362
  418    HA2  GLY  57           HA2      GLY  57  12.481  -0.388   8.089
  419    HA3  GLY  57           HA1      GLY  57  13.564  -1.483   7.240
  420    H    VAL  58           HN       VAL  58  10.823   0.383   6.057
  421    HA   VAL  58           HA       VAL  58  12.668   1.649   4.183
  422    HB   VAL  58           HB       VAL  58  10.771   1.928   2.578
  423   HG11  VAL  58          HG11      VAL  58  11.420  -0.908   3.353
  424   HG12  VAL  58          HG12      VAL  58  12.368   0.130   2.283
  425   HG13  VAL  58          HG13      VAL  58  10.754  -0.398   1.801
  426   HG21  VAL  58          HG21      VAL  58   9.328   0.059   4.462
  427   HG22  VAL  58          HG22      VAL  58   8.763   0.538   2.862
  428   HG23  VAL  58          HG23      VAL  58   8.907   1.741   4.145
  429    H    SER  59           HN       SER  59  11.538   3.722   3.171
  430    HA   SER  59           HA       SER  59  10.378   5.245   5.353
  431    HB2  SER  59           HB2      SER  59  12.867   5.632   5.223
  432    HB3  SER  59           HB1      SER  59  12.654   6.182   3.568
  433    HG   SER  59           HG       SER  59  11.165   7.374   5.648
  434    H    ILE  60           HN       ILE  60   8.471   5.690   4.592
  435    HA   ILE  60           HA       ILE  60   8.144   6.351   1.741
  436    HB   ILE  60           HB       ILE  60   6.118   5.187   3.678
  437   HG12  ILE  60          HG12      ILE  60   7.477   3.877   1.307
  438   HG13  ILE  60          HG11      ILE  60   7.914   3.594   2.988
  439   HG21  ILE  60          HG21      ILE  60   5.064   6.627   2.011
  440   HG22  ILE  60          HG22      ILE  60   4.672   4.936   1.703
  441   HG23  ILE  60          HG23      ILE  60   5.881   5.751   0.714
  442   HD11  ILE  60          HD11      ILE  60   5.698   2.658   3.396
  443   HD12  ILE  60          HD12      ILE  60   6.530   1.803   2.095
  444   HD13  ILE  60          HD13      ILE  60   5.259   2.966   1.717
  445    HA   PRO  61           HA       PRO  61   7.075  10.373   3.499
  446    HB2  PRO  61           HB2      PRO  61   6.338  10.979   0.703
  447    HB3  PRO  61           HB1      PRO  61   7.507  11.792   1.747
  448    HG2  PRO  61           HG2      PRO  61   8.278  10.259  -0.325
  449    HG3  PRO  61           HG1      PRO  61   9.220  10.362   1.174
  450    HD2  PRO  61           HD2      PRO  61   7.375   8.203   0.234
  451    HD3  PRO  61           HD1      PRO  61   8.920   8.070   1.101
  452    H    ASP  62           HN       ASP  62   5.162  11.121   4.139
  453    HA   ASP  62           HA       ASP  62   2.952   9.384   4.053
  454    HB2  ASP  62           HB2      ASP  62   3.056  12.246   5.003
  455    HB3  ASP  62           HB1      ASP  62   1.716  11.141   5.278
  456    H    ASP  63           HN       ASP  63   3.318  12.594   2.604
  457    HA   ASP  63           HA       ASP  63   0.807  12.853   1.443
  458    HB2  ASP  63           HB2      ASP  63   2.349  14.710   1.512
  459    HB3  ASP  63           HB1      ASP  63   3.475  13.870   0.455
  460    H    VAL  64           HN       VAL  64   3.597  11.179   0.234
  461    HA   VAL  64           HA       VAL  64   2.765  10.684  -2.413
  462    HB   VAL  64           HB       VAL  64   4.540   9.045  -0.628
  463   HG11  VAL  64          HG11      VAL  64   3.853   7.800  -2.639
  464   HG12  VAL  64          HG12      VAL  64   5.556   8.229  -2.758
  465   HG13  VAL  64          HG13      VAL  64   4.350   9.146  -3.663
  466   HG21  VAL  64          HG21      VAL  64   5.224  11.266  -2.552
  467   HG22  VAL  64          HG22      VAL  64   6.400  10.277  -1.684
  468   HG23  VAL  64          HG23      VAL  64   5.305  11.335  -0.791
  469    H    ALA  65           HN       ALA  65   2.304   8.893   0.601
  470    HA   ALA  65           HA       ALA  65   1.176   6.575  -0.572
  471    HB1  ALA  65           HB1      ALA  65   0.876   7.604   2.238
  472    HB2  ALA  65           HB2      ALA  65   2.172   6.549   1.666
  473    HB3  ALA  65           HB3      ALA  65   0.504   5.974   1.692
  474    H    GLY  66           HN       GLY  66  -0.128   9.670   0.188
  475    HA2  GLY  66           HA2      GLY  66  -2.865   8.677  -0.088
  476    HA3  GLY  66           HA1      GLY  66  -2.391  10.325   0.317
  477    H    ARG  67           HN       ARG  67  -0.372   9.969  -1.936
  478    HA   ARG  67           HA       ARG  67  -1.978  11.219  -3.958
  479    HB2  ARG  67           HB2      ARG  67   0.191  12.137  -3.488
  480    HB3  ARG  67           HB1      ARG  67   0.968  10.589  -3.756
  481    HG2  ARG  67           HG2      ARG  67   0.379  10.725  -6.134
  482    HG3  ARG  67           HG1      ARG  67  -0.355  12.306  -5.844
  483    HD2  ARG  67           HD2      ARG  67   1.712  13.272  -5.287
  484    HD3  ARG  67           HD1      ARG  67   2.492  11.698  -5.133
  485    HE   ARG  67           HE       ARG  67   1.469  12.139  -7.742
  486   HH11  ARG  67          HH11      ARG  67   4.119  13.186  -5.679
  487   HH12  ARG  67          HH12      ARG  67   5.320  13.156  -6.895
  488   HH21  ARG  67          HH21      ARG  67   3.025  12.087  -9.421
  489   HH22  ARG  67          HH22      ARG  67   4.665  12.492  -9.155
  490    H    VAL  68           HN       VAL  68  -0.841   8.040  -3.344
  491    HA   VAL  68           HA       VAL  68  -0.618   7.022  -5.947
  492    HB   VAL  68           HB       VAL  68  -0.983   4.761  -4.971
  493   HG11  VAL  68          HG11      VAL  68   0.918   4.771  -3.444
  494   HG12  VAL  68          HG12      VAL  68   0.830   6.533  -3.366
  495   HG13  VAL  68          HG13      VAL  68   1.219   5.731  -4.893
  496   HG21  VAL  68          HG21      VAL  68  -1.305   4.494  -2.558
  497   HG22  VAL  68          HG22      VAL  68  -2.685   5.311  -3.296
  498   HG23  VAL  68          HG23      VAL  68  -1.488   6.239  -2.389
  499    H    ASP  69           HN       ASP  69  -2.004   6.793  -7.498
  500    HA   ASP  69           HA       ASP  69  -4.812   7.322  -7.148
  501    HB2  ASP  69           HB2      ASP  69  -3.450   7.994  -9.192
  502    HB3  ASP  69           HB1      ASP  69  -3.355   6.299  -9.584
  503    H    THR  70           HN       THR  70  -2.865   4.558  -8.171
  504    HA   THR  70           HA       THR  70  -5.079   2.827  -7.377
  505    HB   THR  70           HB       THR  70  -4.332   1.302  -9.245
  506    HG1  THR  70           HG1      THR  70  -3.116   3.518 -10.423
  507   HG21  THR  70          HG21      THR  70  -5.384   2.638 -11.031
  508   HG22  THR  70          HG22      THR  70  -5.152   4.084 -10.036
  509   HG23  THR  70          HG23      THR  70  -6.261   2.818  -9.500
  510    HA   PRO  71           HA       PRO  71  -2.244   0.600  -4.786
  511    HB2  PRO  71           HB2      PRO  71  -3.100  -1.908  -6.149
  512    HB3  PRO  71           HB1      PRO  71  -3.116  -1.504  -4.427
  513    HG2  PRO  71           HG2      PRO  71  -5.378  -1.526  -5.775
  514    HG3  PRO  71           HG1      PRO  71  -5.054  -0.217  -4.619
  515    HD2  PRO  71           HD2      PRO  71  -4.820  -0.205  -7.606
  516    HD3  PRO  71           HD1      PRO  71  -5.531   1.021  -6.531
  517    H    ARG  72           HN       ARG  72  -2.157   0.116  -8.202
  518    HA   ARG  72           HA       ARG  72   0.187  -1.393  -8.464
  519    HB2  ARG  72           HB2      ARG  72  -1.424  -0.886 -10.288
  520    HB3  ARG  72           HB1      ARG  72  -0.843   0.773 -10.297
  521    HG2  ARG  72           HG2      ARG  72   1.370   0.001 -10.972
  522    HG3  ARG  72           HG1      ARG  72   0.795  -1.670 -10.943
  523    HD2  ARG  72           HD2      ARG  72  -0.259   0.540 -12.697
  524    HD3  ARG  72           HD1      ARG  72   0.799  -0.773 -13.212
  525    HE   ARG  72           HE       ARG  72  -1.049  -2.305 -12.658
  526   HH11  ARG  72          HH11      ARG  72  -1.936   1.125 -13.043
  527   HH12  ARG  72          HH12      ARG  72  -3.481   0.769 -13.683
  528   HH21  ARG  72          HH21      ARG  72  -3.069  -2.749 -13.505
  529   HH22  ARG  72          HH22      ARG  72  -4.184  -1.524 -13.958
  530    H    GLU  73           HN       GLU  73  -0.357   2.067  -8.082
  531    HA   GLU  73           HA       GLU  73   2.358   2.874  -8.436
  532    HB2  GLU  73           HB2      GLU  73   0.320   4.341  -8.654
  533    HB3  GLU  73           HB1      GLU  73   0.168   4.283  -6.907
  534    HG2  GLU  73           HG2      GLU  73   1.218   6.332  -7.491
  535    HG3  GLU  73           HG1      GLU  73   2.438   5.295  -6.750
  536    H    LEU  74           HN       LEU  74   0.272   2.132  -5.728
  537    HA   LEU  74           HA       LEU  74   2.012   2.859  -3.631
  538    HB2  LEU  74           HB2      LEU  74  -0.520   2.414  -3.578
  539    HB3  LEU  74           HB1      LEU  74  -0.128   0.717  -3.508
  540    HG   LEU  74           HG       LEU  74   0.668   2.736  -1.386
  541   HD11  LEU  74          HD11      LEU  74  -1.137   1.771  -0.057
  542   HD12  LEU  74          HD12      LEU  74  -1.622   0.783  -1.432
  543   HD13  LEU  74          HD13      LEU  74  -1.742   2.543  -1.521
  544   HD21  LEU  74          HD21      LEU  74   2.084   0.721  -1.425
  545   HD22  LEU  74          HD22      LEU  74   0.641  -0.287  -1.329
  546   HD23  LEU  74          HD23      LEU  74   1.067   0.772   0.016
  547    H    LEU  75           HN       LEU  75   1.401  -0.242  -5.238
  548    HA   LEU  75           HA       LEU  75   3.209  -1.812  -3.762
  549    HB2  LEU  75           HB2      LEU  75   1.441  -2.720  -5.239
  550    HB3  LEU  75           HB1      LEU  75   2.315  -2.125  -6.634
  551    HG   LEU  75           HG       LEU  75   4.206  -3.646  -6.003
  552   HD11  LEU  75          HD11      LEU  75   3.734  -5.490  -4.489
  553   HD12  LEU  75          HD12      LEU  75   2.190  -4.746  -4.069
  554   HD13  LEU  75          HD13      LEU  75   3.699  -3.931  -3.667
  555   HD21  LEU  75          HD21      LEU  75   3.127  -5.672  -6.836
  556   HD22  LEU  75          HD22      LEU  75   2.633  -4.250  -7.750
  557   HD23  LEU  75          HD23      LEU  75   1.547  -4.947  -6.546
  558    H    ASP  76           HN       ASP  76   3.518  -0.037  -6.802
  559    HA   ASP  76           HA       ASP  76   6.159  -0.762  -7.412
  560    HB2  ASP  76           HB2      ASP  76   4.603   0.249  -9.039
  561    HB3  ASP  76           HB1      ASP  76   4.692   1.770  -8.160
  562    H    LEU  77           HN       LEU  77   4.829   1.990  -5.674
  563    HA   LEU  77           HA       LEU  77   7.099   3.436  -5.104
  564    HB2  LEU  77           HB2      LEU  77   4.932   4.274  -4.533
  565    HB3  LEU  77           HB1      LEU  77   4.630   2.929  -3.454
  566    HG   LEU  77           HG       LEU  77   6.425   3.782  -1.960
  567   HD11  LEU  77          HD11      LEU  77   7.720   5.049  -3.565
  568   HD12  LEU  77          HD12      LEU  77   7.228   6.057  -2.210
  569   HD13  LEU  77          HD13      LEU  77   6.392   6.197  -3.759
  570   HD21  LEU  77          HD21      LEU  77   5.099   5.621  -1.044
  571   HD22  LEU  77          HD22      LEU  77   4.094   4.249  -1.500
  572   HD23  LEU  77          HD23      LEU  77   4.153   5.680  -2.531
  573    H    ILE  78           HN       ILE  78   5.657   0.863  -3.155
  574    HA   ILE  78           HA       ILE  78   7.796   0.885  -1.312
  575    HB   ILE  78           HB       ILE  78   5.637  -1.212  -1.706
  576   HG12  ILE  78          HG12      ILE  78   5.913   1.130   0.184
  577   HG13  ILE  78          HG11      ILE  78   4.778   0.995  -1.151
  578   HG21  ILE  78          HG21      ILE  78   7.543  -0.807   0.617
  579   HG22  ILE  78          HG22      ILE  78   7.597  -2.147  -0.526
  580   HG23  ILE  78          HG23      ILE  78   6.219  -1.972   0.563
  581   HD11  ILE  78          HD11      ILE  78   3.678  -0.857   0.005
  582   HD12  ILE  78          HD12      ILE  78   3.685   0.629   0.958
  583   HD13  ILE  78          HD13      ILE  78   4.813  -0.668   1.344
  584    H    ASN  79           HN       ASN  79   7.089  -1.127  -4.125
  585    HA   ASN  79           HA       ASN  79   9.245  -2.898  -3.795
  586    HB2  ASN  79           HB2      ASN  79   7.876  -1.966  -6.323
  587    HB3  ASN  79           HB1      ASN  79   9.221  -3.092  -6.365
  588   HD21  ASN  79          HD21      ASN  79   8.307  -4.392  -3.847
  589   HD22  ASN  79          HD22      ASN  79   6.952  -5.365  -4.340
  590    H    GLY  80           HN       GLY  80   9.141   0.226  -5.449
  591    HA2  GLY  80           HA2      GLY  80  11.844   0.265  -6.244
  592    HA3  GLY  80           HA1      GLY  80  10.832   1.681  -6.005
  593    H    ALA  81           HN       ALA  81  10.264   1.288  -3.266
  594    HA   ALA  81           HA       ALA  81  12.532   2.448  -2.050
  595    HB1  ALA  81           HB1      ALA  81  10.244   2.875  -1.265
  596    HB2  ALA  81           HB2      ALA  81  11.262   2.270   0.040
  597    HB3  ALA  81           HB3      ALA  81  10.106   1.194  -0.751
  598    H    LEU  82           HN       LEU  82  11.141  -0.776  -1.949
  599    HA   LEU  82           HA       LEU  82  12.979  -1.951  -0.171
  600    HB2  LEU  82           HB2      LEU  82  11.235  -3.120  -2.319
  601    HB3  LEU  82           HB1      LEU  82  12.208  -4.095  -1.241
  602    HG   LEU  82           HG       LEU  82  10.006  -2.233  -0.354
  603   HD11  LEU  82          HD11      LEU  82   8.745  -4.280   0.086
  604   HD12  LEU  82          HD12      LEU  82  10.050  -5.237  -0.618
  605   HD13  LEU  82          HD13      LEU  82   9.132  -4.122  -1.628
  606   HD21  LEU  82          HD21      LEU  82  11.620  -4.298   1.131
  607   HD22  LEU  82          HD22      LEU  82  10.268  -3.377   1.790
  608   HD23  LEU  82          HD23      LEU  82  11.750  -2.549   1.309
  609    H    ALA  83           HN       ALA  83  13.008  -1.480  -3.629
  610    HA   ALA  83           HA       ALA  83  15.285  -3.052  -4.193
  611    HB1  ALA  83           HB1      ALA  83  15.375  -1.820  -6.306
  612    HB2  ALA  83           HB2      ALA  83  14.229  -0.639  -5.676
  613    HB3  ALA  83           HB3      ALA  83  13.721  -2.307  -5.935
  614    H    GLU  84           HN       GLU  84  14.824   0.284  -3.233
  615    HA   GLU  84           HA       GLU  84  17.581   0.999  -3.456
  616    HB2  GLU  84           HB2      GLU  84  15.783   2.671  -3.608
  617    HB3  GLU  84           HB1      GLU  84  15.311   2.322  -1.953
  618    HG2  GLU  84           HG2      GLU  84  17.342   3.240  -1.107
  619    HG3  GLU  84           HG1      GLU  84  18.009   3.394  -2.729
  620    H    ALA  85           HN       ALA  85  15.594  -0.487  -1.109
  621    HA   ALA  85           HA       ALA  85  17.448  -0.139   1.075
  622    HB1  ALA  85           HB1      ALA  85  15.828  -1.401   2.380
  623    HB2  ALA  85           HB2      ALA  85  14.912  -1.760   0.916
  624    HB3  ALA  85           HB3      ALA  85  15.038  -0.098   1.493
  625    H    ALA  86           HN       ALA  86  17.600  -2.043  -1.565
  626    HA   ALA  86           HA       ALA  86  19.010  -4.108  -0.077
  627    HB1  ALA  86           HB1      ALA  86  18.132  -5.845  -1.557
  628    HB2  ALA  86           HB2      ALA  86  17.140  -4.646  -2.386
  629    HB3  ALA  86           HB3      ALA  86  16.827  -5.032  -0.694
  630    H28  SXV  87          H28A      SXV  87  -4.650  13.921   2.719
  631   H28A  SXV  87          H28B      SXV  87  -3.825  12.362   2.660
  632    H30  SXV  87          H30C      SXV  87  -2.562  14.930   3.403
  633   H30A  SXV  87          H30A      SXV  87  -1.097  14.758   2.437
  634   H30B  SXV  87          H30B      SXV  87  -1.756  13.365   3.294
  635    H31  SXV  87          H31C      SXV  87  -1.747  12.102   1.255
  636   H31A  SXV  87          H31A      SXV  87  -1.173  13.457   0.285
  637   H31B  SXV  87          H31B      SXV  87  -2.667  12.621  -0.153
  638    H32  SXV  87          H32A      SXV  87  -2.298  15.771   0.457
  639   HO33  SXV  87          H33A      SXV  87  -4.849  16.065   1.252
  640   HN36  SXV  87          H36A      SXV  87  -2.587  14.242  -1.525
  641    H37  SXV  87          H37B      SXV  87  -5.202  14.710  -2.802
  642   H37A  SXV  87          H37A      SXV  87  -4.377  13.152  -2.913
  643    H38  SXV  87          H38B      SXV  87  -3.967  14.388  -4.925
  644   H38A  SXV  87          H38A      SXV  87  -2.467  14.244  -4.030
  645   HN41  SXV  87          H41A      SXV  87  -1.915  16.002  -5.507
  646    H42  SXV  87          H42B      SXV  87  -2.265  18.594  -4.236
  647   H42A  SXV  87          H42A      SXV  87  -2.740  18.497  -5.922
  648    H43  SXV  87          H43B      SXV  87  -0.032  17.749  -4.850
  649   H43A  SXV  87          H43A      SXV  87  -0.451  17.937  -6.543
  650    H1   SXV  87           H1B      SXV  87  -1.494  20.072  -3.459
  651    H1A  SXV  87           H1A      SXV  87   0.210  19.764  -3.084
  652    H2   SXV  87           H2A      SXV  87  -0.941  22.412  -3.790
  653    H2A  SXV  87           H2B      SXV  87   0.777  22.087  -3.524
  654    H4   SXV  87           H4C      SXV  87   1.059  22.137  -0.247
  655    H4A  SXV  87           H4A      SXV  87   1.273  20.801  -1.380
  656    H4B  SXV  87           H4B      SXV  87   0.016  20.711  -0.139
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  17.764 -10.426   1.643
    2    H2   MET   1           HT2      MET   1  16.891  -9.184   0.910
    3    H3   MET   1           HT3      MET   1  16.103 -10.594   1.390
    4    HA   MET   1           HA       MET   1  16.503 -10.112   3.683
    5    HB2  MET   1           HB2      MET   1  18.595  -8.819   3.343
    6    HB3  MET   1           HB1      MET   1  17.665  -7.524   2.610
    7    HG2  MET   1           HG2      MET   1  16.508  -7.148   4.724
    8    HG3  MET   1           HG1      MET   1  17.417  -8.468   5.459
    9    HE1  MET   1           HE1      MET   1  18.729  -5.775   2.888
   10    HE2  MET   1           HE2      MET   1  19.341  -4.529   3.977
   11    HE3  MET   1           HE3      MET   1  17.610  -4.858   3.899
   12    H    ALA   2           HN       ALA   2  15.827  -7.445   1.390
   13    HA   ALA   2           HA       ALA   2  13.398  -6.800   2.802
   14    HB1  ALA   2           HB1      ALA   2  14.633  -5.604   0.315
   15    HB2  ALA   2           HB2      ALA   2  14.839  -5.003   1.961
   16    HB3  ALA   2           HB3      ALA   2  13.250  -4.951   1.195
   17    H    THR   3           HN       THR   3  11.746  -8.061   2.441
   18    HA   THR   3           HA       THR   3  11.332  -9.660   0.159
   19    HB   THR   3           HB       THR   3   9.470  -8.765   2.278
   20    HG1  THR   3           HG1      THR   3  11.238 -11.030   2.180
   21   HG21  THR   3          HG21      THR   3   8.297 -10.918   1.829
   22   HG22  THR   3          HG22      THR   3   9.425 -11.220   0.507
   23   HG23  THR   3          HG23      THR   3   8.314  -9.853   0.424
   24    H    LEU   4           HN       LEU   4  10.933  -8.642  -1.765
   25    HA   LEU   4           HA       LEU   4   9.528  -6.216  -2.085
   26    HB2  LEU   4           HB2      LEU   4   9.851  -8.483  -4.073
   27    HB3  LEU   4           HB1      LEU   4   9.336  -6.858  -4.452
   28    HG   LEU   4           HG       LEU   4  12.074  -7.606  -3.423
   29   HD11  LEU   4          HD11      LEU   4  12.827  -7.059  -5.683
   30   HD12  LEU   4          HD12      LEU   4  11.156  -6.800  -6.176
   31   HD13  LEU   4          HD13      LEU   4  11.691  -8.408  -5.686
   32   HD21  LEU   4          HD21      LEU   4  10.986  -4.969  -4.420
   33   HD22  LEU   4          HD22      LEU   4  12.662  -5.291  -3.975
   34   HD23  LEU   4          HD23      LEU   4  11.395  -5.353  -2.748
   35    H    LEU   5           HN       LEU   5   7.415  -5.853  -2.437
   36    HA   LEU   5           HA       LEU   5   5.632  -7.636  -1.136
   37    HB2  LEU   5           HB2      LEU   5   5.120  -5.154  -2.722
   38    HB3  LEU   5           HB1      LEU   5   3.982  -5.929  -1.634
   39    HG   LEU   5           HG       LEU   5   6.601  -4.700  -0.786
   40   HD11  LEU   5          HD11      LEU   5   5.032  -3.062  -1.742
   41   HD12  LEU   5          HD12      LEU   5   5.295  -2.838  -0.022
   42   HD13  LEU   5          HD13      LEU   5   3.801  -3.599  -0.595
   43   HD21  LEU   5          HD21      LEU   5   4.189  -5.594   0.786
   44   HD22  LEU   5          HD22      LEU   5   5.666  -4.888   1.452
   45   HD23  LEU   5          HD23      LEU   5   5.703  -6.473   0.673
   46    H    THR   6           HN       THR   6   4.610  -9.250  -2.076
   47    HA   THR   6           HA       THR   6   4.259  -9.260  -4.950
   48    HB   THR   6           HB       THR   6   3.465 -11.619  -4.452
   49    HG1  THR   6           HG1      THR   6   4.675 -12.036  -2.194
   50   HG21  THR   6          HG21      THR   6   5.731 -11.138  -5.289
   51   HG22  THR   6          HG22      THR   6   5.756 -12.470  -4.132
   52   HG23  THR   6          HG23      THR   6   6.283 -10.863  -3.637
   53    H    THR   7           HN       THR   7   1.924 -10.595  -5.353
   54    HA   THR   7           HA       THR   7   0.046  -8.685  -4.475
   55    HB   THR   7           HB       THR   7  -1.616 -10.198  -5.678
   56    HG1  THR   7           HG1      THR   7  -0.869 -12.107  -6.033
   57   HG21  THR   7          HG21      THR   7  -0.613  -8.249  -6.711
   58   HG22  THR   7          HG22      THR   7  -0.752  -9.560  -7.892
   59   HG23  THR   7          HG23      THR   7   0.812  -9.187  -7.163
   60    H    ASP   8           HN       ASP   8   1.173 -11.562  -3.168
   61    HA   ASP   8           HA       ASP   8  -1.136 -12.007  -1.473
   62    HB2  ASP   8           HB2      ASP   8   1.647 -13.198  -1.428
   63    HB3  ASP   8           HB1      ASP   8   0.437 -13.551  -0.207
   64    H    ASP   9           HN       ASP   9   2.148 -10.735  -1.145
   65    HA   ASP   9           HA       ASP   9   1.777 -10.201   1.621
   66    HB2  ASP   9           HB2      ASP   9   4.036 -10.531   0.363
   67    HB3  ASP   9           HB1      ASP   9   3.875  -8.822  -0.014
   68    H    LEU  10           HN       LEU  10   1.560  -8.175  -1.283
   69    HA   LEU  10           HA       LEU  10   1.139  -5.709   0.018
   70    HB2  LEU  10           HB2      LEU  10   1.594  -5.913  -2.405
   71    HB3  LEU  10           HB1      LEU  10   0.023  -6.652  -2.635
   72    HG   LEU  10           HG       LEU  10  -1.006  -4.524  -1.801
   73   HD11  LEU  10          HD11      LEU  10   1.792  -3.472  -2.102
   74   HD12  LEU  10          HD12      LEU  10   0.877  -3.617  -0.600
   75   HD13  LEU  10          HD13      LEU  10   0.345  -2.491  -1.852
   76   HD21  LEU  10          HD21      LEU  10   0.689  -4.347  -4.293
   77   HD22  LEU  10          HD22      LEU  10  -0.694  -3.323  -3.916
   78   HD23  LEU  10          HD23      LEU  10  -0.921  -5.053  -4.173
   79    H    ARG  11           HN       ARG  11  -1.004  -8.318  -0.865
   80    HA   ARG  11           HA       ARG  11  -3.505  -7.197  -0.332
   81    HB2  ARG  11           HB2      ARG  11  -3.200  -9.373  -1.400
   82    HB3  ARG  11           HB1      ARG  11  -2.501 -10.021   0.071
   83    HG2  ARG  11           HG2      ARG  11  -4.654  -9.666   1.199
   84    HG3  ARG  11           HG1      ARG  11  -5.333  -9.126  -0.338
   85    HD2  ARG  11           HD2      ARG  11  -4.822 -11.294  -1.335
   86    HD3  ARG  11           HD1      ARG  11  -4.133 -11.845   0.204
   87    HE   ARG  11           HE       ARG  11  -6.725 -10.830   0.496
   88   HH11  ARG  11          HH11      ARG  11  -5.083 -13.784  -0.648
   89   HH12  ARG  11          HH12      ARG  11  -6.434 -14.775  -0.284
   90   HH21  ARG  11          HH21      ARG  11  -8.470 -12.166   0.944
   91   HH22  ARG  11          HH22      ARG  11  -8.416 -13.848   0.701
   92    H    ARG  12           HN       ARG  12  -1.226  -8.881   1.728
   93    HA   ARG  12           HA       ARG  12  -2.667  -8.830   4.143
   94    HB2  ARG  12           HB2      ARG  12   0.329  -8.867   3.709
   95    HB3  ARG  12           HB1      ARG  12  -0.496  -9.299   5.199
   96    HG2  ARG  12           HG2      ARG  12  -1.502 -11.219   4.154
   97    HG3  ARG  12           HG1      ARG  12  -0.861 -10.743   2.580
   98    HD2  ARG  12           HD2      ARG  12   0.486 -12.518   3.535
   99    HD3  ARG  12           HD1      ARG  12   1.421 -11.029   3.436
  100    HE   ARG  12           HE       ARG  12   0.081 -11.531   5.947
  101   HH11  ARG  12          HH11      ARG  12   3.133 -11.792   4.115
  102   HH12  ARG  12          HH12      ARG  12   4.063 -12.012   5.532
  103   HH21  ARG  12          HH21      ARG  12   1.483 -11.804   7.866
  104   HH22  ARG  12          HH22      ARG  12   3.162 -12.021   7.596
  105    H    ALA  13           HN       ALA  13  -0.314  -6.624   2.725
  106    HA   ALA  13           HA       ALA  13   0.051  -4.845   4.831
  107    HB1  ALA  13           HB1      ALA  13   1.454  -4.918   2.834
  108    HB2  ALA  13           HB2      ALA  13   0.878  -3.287   3.177
  109    HB3  ALA  13           HB3      ALA  13   0.132  -4.236   1.886
  110    H    LEU  14           HN       LEU  14  -2.357  -4.724   2.216
  111    HA   LEU  14           HA       LEU  14  -3.519  -2.296   3.076
  112    HB2  LEU  14           HB2      LEU  14  -4.526  -4.513   1.322
  113    HB3  LEU  14           HB1      LEU  14  -5.641  -3.280   1.863
  114    HG   LEU  14           HG       LEU  14  -4.918  -2.759  -0.354
  115   HD11  LEU  14          HD11      LEU  14  -5.287  -0.875   1.076
  116   HD12  LEU  14          HD12      LEU  14  -3.989  -0.527  -0.066
  117   HD13  LEU  14          HD13      LEU  14  -3.609  -0.913   1.613
  118   HD21  LEU  14          HD21      LEU  14  -2.585  -2.289  -0.936
  119   HD22  LEU  14          HD22      LEU  14  -2.804  -3.965  -0.429
  120   HD23  LEU  14          HD23      LEU  14  -2.084  -2.796   0.676
  121    H    VAL  15           HN       VAL  15  -4.314  -5.646   3.797
  122    HA   VAL  15           HA       VAL  15  -6.571  -5.233   5.382
  123    HB   VAL  15           HB       VAL  15  -4.487  -7.444   5.602
  124   HG11  VAL  15          HG11      VAL  15  -6.209  -8.776   6.723
  125   HG12  VAL  15          HG12      VAL  15  -7.292  -7.384   6.718
  126   HG13  VAL  15          HG13      VAL  15  -5.803  -7.338   7.660
  127   HG21  VAL  15          HG21      VAL  15  -6.084  -8.766   4.294
  128   HG22  VAL  15          HG22      VAL  15  -5.549  -7.332   3.418
  129   HG23  VAL  15          HG23      VAL  15  -7.142  -7.358   4.173
  130    H    GLU  16           HN       GLU  16  -3.183  -4.969   6.200
  131    HA   GLU  16           HA       GLU  16  -3.237  -4.861   8.973
  132    HB2  GLU  16           HB2      GLU  16  -1.528  -3.316   7.049
  133    HB3  GLU  16           HB1      GLU  16  -1.247  -3.403   8.778
  134    HG2  GLU  16           HG2      GLU  16  -1.259  -5.754   6.908
  135    HG3  GLU  16           HG1      GLU  16   0.156  -4.867   7.475
  136    H    SER  17           HN       SER  17  -4.341  -2.473   6.643
  137    HA   SER  17           HA       SER  17  -4.118  -0.276   8.536
  138    HB2  SER  17           HB2      SER  17  -5.057  -0.223   5.687
  139    HB3  SER  17           HB1      SER  17  -4.515   1.142   6.672
  140    HG   SER  17           HG       SER  17  -2.781  -0.962   6.547
  141    H    ALA  18           HN       ALA  18  -6.537  -2.533   7.885
  142    HA   ALA  18           HA       ALA  18  -8.495  -0.738   9.122
  143    HB1  ALA  18           HB1      ALA  18  -9.110  -2.174   6.544
  144    HB2  ALA  18           HB2      ALA  18  -8.900  -0.427   6.732
  145    HB3  ALA  18           HB3      ALA  18 -10.247  -1.257   7.524
  146    H    GLY  19           HN       GLY  19  -7.026  -3.619   9.234
  147    HA2  GLY  19           HA2      GLY  19  -7.522  -5.604  10.221
  148    HA3  GLY  19           HA1      GLY  19  -9.024  -4.876  10.804
  149    H    GLU  20           HN       GLU  20 -10.658  -6.099  10.138
  150    HA   GLU  20           HA       GLU  20 -10.944  -6.397   7.268
  151    HB2  GLU  20           HB2      GLU  20 -11.570  -8.755   7.361
  152    HB3  GLU  20           HB1      GLU  20  -9.961  -8.550   8.012
  153    HG2  GLU  20           HG2      GLU  20 -12.494  -9.019   9.589
  154    HG3  GLU  20           HG1      GLU  20 -11.236 -10.200   9.256
  155    H    THR  21           HN       THR  21 -12.030  -4.811   9.471
  156    HA   THR  21           HA       THR  21 -14.711  -5.818   9.768
  157    HB   THR  21           HB       THR  21 -13.608  -5.136  11.744
  158    HG1  THR  21           HG1      THR  21 -15.200  -3.879  12.617
  159   HG21  THR  21          HG21      THR  21 -12.052  -3.468  10.937
  160   HG22  THR  21          HG22      THR  21 -13.011  -2.774  12.246
  161   HG23  THR  21          HG23      THR  21 -13.376  -2.363  10.571
  162    H    ASP  22           HN       ASP  22 -14.811  -5.488   7.486
  163    HA   ASP  22           HA       ASP  22 -16.699  -3.524   6.779
  164    HB2  ASP  22           HB2      ASP  22 -14.828  -1.932   6.679
  165    HB3  ASP  22           HB1      ASP  22 -13.910  -3.035   5.663
  166    H    GLY  23           HN       GLY  23 -13.961  -5.123   5.358
  167    HA2  GLY  23           HA2      GLY  23 -14.894  -7.396   4.344
  168    HA3  GLY  23           HA1      GLY  23 -15.531  -6.211   3.190
  169    H    THR  24           HN       THR  24 -12.578  -6.510   5.045
  170    HA   THR  24           HA       THR  24 -11.062  -5.458   2.815
  171    HB   THR  24           HB       THR  24  -9.999  -6.089   5.548
  172    HG1  THR  24           HG1      THR  24 -11.643  -3.881   4.775
  173   HG21  THR  24          HG21      THR  24  -8.497  -5.211   3.807
  174   HG22  THR  24          HG22      THR  24  -8.719  -4.020   5.092
  175   HG23  THR  24          HG23      THR  24  -9.581  -3.844   3.559
  176    H    ASP  25           HN       ASP  25 -11.280  -7.499   1.663
  177    HA   ASP  25           HA       ASP  25  -9.454  -9.492   2.758
  178    HB2  ASP  25           HB2      ASP  25 -11.932 -10.045   1.174
  179    HB3  ASP  25           HB1      ASP  25 -10.636 -11.227   1.284
  180    H    LEU  26           HN       LEU  26 -10.243  -7.829   0.067
  181    HA   LEU  26           HA       LEU  26  -9.420  -7.681  -2.072
  182    HB2  LEU  26           HB2      LEU  26  -6.787  -8.113  -0.621
  183    HB3  LEU  26           HB1      LEU  26  -6.913  -7.588  -2.282
  184    HG   LEU  26           HG       LEU  26  -6.406  -5.684  -1.050
  185   HD11  LEU  26          HD11      LEU  26  -8.325  -4.202  -1.296
  186   HD12  LEU  26          HD12      LEU  26  -9.353  -5.613  -1.550
  187   HD13  LEU  26          HD13      LEU  26  -8.064  -5.245  -2.695
  188   HD21  LEU  26          HD21      LEU  26  -6.876  -6.460   1.205
  189   HD22  LEU  26          HD22      LEU  26  -8.609  -6.367   0.899
  190   HD23  LEU  26          HD23      LEU  26  -7.641  -4.892   0.934
  191    H    SER  27           HN       SER  27 -10.477  -9.487  -2.773
  192    HA   SER  27           HA       SER  27  -9.052 -12.030  -2.649
  193    HB2  SER  27           HB2      SER  27 -11.410 -11.828  -1.785
  194    HB3  SER  27           HB1      SER  27 -11.929 -11.491  -3.431
  195    HG   SER  27           HG       SER  27 -11.957 -13.733  -2.445
  196    H    GLY  28           HN       GLY  28  -7.776 -12.356  -4.337
  197    HA2  GLY  28           HA2      GLY  28  -7.463 -13.037  -6.548
  198    HA3  GLY  28           HA1      GLY  28  -8.897 -12.125  -7.015
  199    H    ASP  29           HN       ASP  29  -7.787 -11.050  -8.658
  200    HA   ASP  29           HA       ASP  29  -5.448  -9.508  -8.047
  201    HB2  ASP  29           HB2      ASP  29  -5.553  -8.716 -10.317
  202    HB3  ASP  29           HB1      ASP  29  -5.958 -10.425 -10.348
  203    H    PHE  30           HN       PHE  30  -5.345  -7.271  -7.792
  204    HA   PHE  30           HA       PHE  30  -7.816  -5.744  -7.602
  205    HB2  PHE  30           HB2      PHE  30  -7.598  -5.209  -5.251
  206    HB3  PHE  30           HB1      PHE  30  -7.704  -6.951  -5.436
  207    HD1  PHE  30           HD2      PHE  30  -5.496  -8.289  -5.372
  208    HD2  PHE  30           HD1      PHE  30  -5.813  -4.264  -4.019
  209    HE1  PHE  30           HE2      PHE  30  -3.440  -8.572  -4.054
  210    HE2  PHE  30           HE1      PHE  30  -3.755  -4.547  -2.697
  211    HZ   PHE  30           HZ       PHE  30  -2.570  -6.663  -2.707
  212    H    LEU  31           HN       LEU  31  -5.056  -5.698  -8.929
  213    HA   LEU  31           HA       LEU  31  -3.560  -3.661  -7.550
  214    HB2  LEU  31           HB2      LEU  31  -3.106  -4.899 -10.266
  215    HB3  LEU  31           HB1      LEU  31  -2.021  -3.767  -9.495
  216    HG   LEU  31           HG       LEU  31  -1.063  -5.882  -9.251
  217   HD11  LEU  31          HD11      LEU  31  -2.372  -5.197  -6.646
  218   HD12  LEU  31          HD12      LEU  31  -0.855  -4.558  -7.282
  219   HD13  LEU  31          HD13      LEU  31  -0.979  -6.262  -6.849
  220   HD21  LEU  31          HD21      LEU  31  -3.696  -6.907  -8.189
  221   HD22  LEU  31          HD22      LEU  31  -2.200  -7.838  -8.268
  222   HD23  LEU  31          HD23      LEU  31  -2.978  -7.289  -9.752
  223    H    ASP  32           HN       ASP  32  -5.920  -3.750 -10.002
  224    HA   ASP  32           HA       ASP  32  -5.305  -1.034 -10.906
  225    HB2  ASP  32           HB2      ASP  32  -6.875  -1.455 -12.706
  226    HB3  ASP  32           HB1      ASP  32  -5.691  -2.754 -12.625
  227    H    LEU  33           HN       LEU  33  -6.952  -2.297  -8.431
  228    HA   LEU  33           HA       LEU  33  -9.485  -1.004  -8.783
  229    HB2  LEU  33           HB2      LEU  33  -8.219  -2.173  -6.313
  230    HB3  LEU  33           HB1      LEU  33  -9.841  -1.520  -6.378
  231    HG   LEU  33           HG       LEU  33  -8.820  -3.966  -7.818
  232   HD11  LEU  33          HD11      LEU  33 -10.427  -5.128  -6.386
  233   HD12  LEU  33          HD12      LEU  33 -10.815  -3.596  -5.597
  234   HD13  LEU  33          HD13      LEU  33  -9.196  -4.283  -5.444
  235   HD21  LEU  33          HD21      LEU  33 -10.436  -2.777  -9.209
  236   HD22  LEU  33          HD22      LEU  33 -11.566  -2.712  -7.852
  237   HD23  LEU  33          HD23      LEU  33 -11.123  -4.269  -8.561
  238    H    ARG  34           HN       ARG  34 -10.250   0.750  -7.644
  239    HA   ARG  34           HA       ARG  34  -8.225   2.702  -6.903
  240    HB2  ARG  34           HB2      ARG  34 -11.236   2.907  -7.175
  241    HB3  ARG  34           HB1      ARG  34 -10.195   4.242  -6.703
  242    HG2  ARG  34           HG2      ARG  34  -9.988   2.766  -9.314
  243    HG3  ARG  34           HG1      ARG  34 -10.880   4.270  -9.082
  244    HD2  ARG  34           HD2      ARG  34  -7.951   3.929  -8.485
  245    HD3  ARG  34           HD1      ARG  34  -8.583   4.556 -10.013
  246    HE   ARG  34           HE       ARG  34  -9.580   6.016  -7.750
  247   HH11  ARG  34          HH11      ARG  34  -6.852   5.750  -9.957
  248   HH12  ARG  34          HH12      ARG  34  -6.234   7.303  -9.603
  249   HH21  ARG  34          HH21      ARG  34  -8.888   8.041  -7.343
  250   HH22  ARG  34          HH22      ARG  34  -7.461   8.722  -8.048
  251    H    PHE  35           HN       PHE  35  -8.120   3.533  -4.822
  252    HA   PHE  35           HA       PHE  35  -8.968   1.730  -2.783
  253    HB2  PHE  35           HB2      PHE  35  -7.668   4.452  -2.618
  254    HB3  PHE  35           HB1      PHE  35  -7.945   3.388  -1.241
  255    HD1  PHE  35           HD2      PHE  35  -6.943   1.021  -1.408
  256    HD2  PHE  35           HD1      PHE  35  -5.698   4.306  -3.798
  257    HE1  PHE  35           HE2      PHE  35  -4.826  -0.118  -1.862
  258    HE2  PHE  35           HE1      PHE  35  -3.571   3.169  -4.266
  259    HZ   PHE  35           HZ       PHE  35  -3.101   0.983  -3.222
  260    H    GLU  36           HN       GLU  36 -10.026   4.632  -4.185
  261    HA   GLU  36           HA       GLU  36 -11.995   5.513  -2.395
  262    HB2  GLU  36           HB2      GLU  36 -12.084   5.510  -5.411
  263    HB3  GLU  36           HB1      GLU  36 -12.980   6.576  -4.340
  264    HG2  GLU  36           HG2      GLU  36 -10.982   7.687  -3.662
  265    HG3  GLU  36           HG1      GLU  36  -9.976   6.510  -4.508
  266    H    ASP  37           HN       ASP  37 -11.943   3.020  -4.859
  267    HA   ASP  37           HA       ASP  37 -14.708   2.365  -4.837
  268    HB2  ASP  37           HB2      ASP  37 -13.313   1.900  -6.786
  269    HB3  ASP  37           HB1      ASP  37 -12.293   0.832  -5.836
  270    H    ILE  38           HN       ILE  38 -11.847   1.041  -3.231
  271    HA   ILE  38           HA       ILE  38 -13.516  -0.940  -1.903
  272    HB   ILE  38           HB       ILE  38 -11.386  -1.905  -0.999
  273   HG12  ILE  38          HG12      ILE  38 -10.115   0.152  -2.839
  274   HG13  ILE  38          HG11      ILE  38 -10.024   0.158  -1.085
  275   HG21  ILE  38          HG21      ILE  38 -11.628  -1.560  -3.973
  276   HG22  ILE  38          HG22      ILE  38 -12.468  -2.756  -2.989
  277   HG23  ILE  38          HG23      ILE  38 -10.710  -2.845  -3.178
  278   HD11  ILE  38          HD11      ILE  38  -8.769  -1.939  -1.147
  279   HD12  ILE  38          HD12      ILE  38  -7.971  -0.668  -2.074
  280   HD13  ILE  38          HD13      ILE  38  -8.864  -1.940  -2.908
  281    H    GLY  39           HN       GLY  39 -13.473   1.909  -1.233
  282    HA2  GLY  39           HA2      GLY  39 -13.984   3.154   0.662
  283    HA3  GLY  39           HA1      GLY  39 -14.115   1.625   1.510
  284    H    TYR  40           HN       TYR  40 -11.283   3.112   0.006
  285    HA   TYR  40           HA       TYR  40 -10.000   3.204   2.649
  286    HB2  TYR  40           HB2      TYR  40  -8.985   2.537  -0.055
  287    HB3  TYR  40           HB1      TYR  40  -7.913   3.391   1.037
  288    HD1  TYR  40           HD2      TYR  40 -10.049   0.405   0.753
  289    HD2  TYR  40           HD1      TYR  40  -6.661   2.171   2.598
  290    HE1  TYR  40           HE2      TYR  40  -9.547  -1.719   1.762
  291    HE2  TYR  40           HE1      TYR  40  -6.110   0.026   3.654
  292    HH   TYR  40           HH       TYR  40  -7.664  -2.919   2.815
  293    H    ASP  41           HN       ASP  41  -9.319   5.086   3.354
  294    HA   ASP  41           HA       ASP  41  -9.415   7.388   1.560
  295    HB2  ASP  41           HB2      ASP  41  -9.024   7.203   4.557
  296    HB3  ASP  41           HB1      ASP  41  -8.965   8.702   3.643
  297    H    SER  42           HN       SER  42  -7.619   8.822   1.592
  298    HA   SER  42           HA       SER  42  -5.134   7.678   1.062
  299    HB2  SER  42           HB2      SER  42  -4.399  10.045   1.265
  300    HB3  SER  42           HB1      SER  42  -5.783   9.800   0.196
  301    H    LEU  43           HN       LEU  43  -6.507   9.093   3.876
  302    HA   LEU  43           HA       LEU  43  -4.334   9.232   5.615
  303    HB2  LEU  43           HB2      LEU  43  -7.254   8.775   6.181
  304    HB3  LEU  43           HB1      LEU  43  -6.063   9.253   7.379
  305    HG   LEU  43           HG       LEU  43  -6.646  10.918   4.935
  306   HD11  LEU  43          HD11      LEU  43  -7.810  11.190   7.697
  307   HD12  LEU  43          HD12      LEU  43  -8.678  10.701   6.230
  308   HD13  LEU  43          HD13      LEU  43  -7.982  12.320   6.346
  309   HD21  LEU  43          HD21      LEU  43  -4.513  11.321   6.020
  310   HD22  LEU  43          HD22      LEU  43  -5.332  11.539   7.568
  311   HD23  LEU  43          HD23      LEU  43  -5.612  12.679   6.253
  312    H    ALA  44           HN       ALA  44  -6.429   6.560   4.743
  313    HA   ALA  44           HA       ALA  44  -5.382   4.777   6.748
  314    HB1  ALA  44           HB1      ALA  44  -6.701   3.054   5.600
  315    HB2  ALA  44           HB2      ALA  44  -7.040   4.186   4.289
  316    HB3  ALA  44           HB3      ALA  44  -7.673   4.494   5.906
  317    H    LEU  45           HN       LEU  45  -4.928   5.452   3.362
  318    HA   LEU  45           HA       LEU  45  -3.238   3.347   2.685
  319    HB2  LEU  45           HB2      LEU  45  -3.282   6.146   1.580
  320    HB3  LEU  45           HB1      LEU  45  -2.511   4.769   0.815
  321    HG   LEU  45           HG       LEU  45  -5.459   5.076   1.332
  322   HD11  LEU  45          HD11      LEU  45  -5.631   5.242  -1.097
  323   HD12  LEU  45          HD12      LEU  45  -3.873   5.192  -1.224
  324   HD13  LEU  45          HD13      LEU  45  -4.661   6.552  -0.424
  325   HD21  LEU  45          HD21      LEU  45  -4.736   2.764   1.485
  326   HD22  LEU  45          HD22      LEU  45  -3.916   2.905  -0.069
  327   HD23  LEU  45          HD23      LEU  45  -5.671   3.033   0.016
  328    H    MET  46           HN       MET  46  -2.577   6.441   4.196
  329    HA   MET  46           HA       MET  46   0.256   6.284   4.057
  330    HB2  MET  46           HB2      MET  46  -1.412   7.742   6.116
  331    HB3  MET  46           HB1      MET  46   0.315   7.951   5.879
  332    HG2  MET  46           HG2      MET  46  -0.155   8.756   3.579
  333    HG3  MET  46           HG1      MET  46  -1.882   8.610   3.976
  334    HE1  MET  46           HE1      MET  46  -2.116  11.268   6.927
  335    HE2  MET  46           HE2      MET  46  -1.716   9.557   7.096
  336    HE3  MET  46           HE3      MET  46  -3.005  10.057   6.004
  337    H    GLU  47           HN       GLU  47  -2.099   4.813   6.144
  338    HA   GLU  47           HA       GLU  47  -0.109   4.065   8.058
  339    HB2  GLU  47           HB2      GLU  47  -2.515   4.326   8.665
  340    HB3  GLU  47           HB1      GLU  47  -2.871   2.882   7.724
  341    HG2  GLU  47           HG2      GLU  47  -1.298   1.580   9.114
  342    HG3  GLU  47           HG1      GLU  47  -1.031   3.001  10.109
  343    H    THR  48           HN       THR  48  -1.702   2.645   5.255
  344    HA   THR  48           HA       THR  48  -0.714   0.064   5.314
  345    HB   THR  48           HB       THR  48  -0.914   1.853   2.869
  346    HG1  THR  48           HG1      THR  48  -2.825   0.681   4.549
  347   HG21  THR  48          HG21      THR  48   0.082  -0.369   2.464
  348   HG22  THR  48          HG22      THR  48  -1.512  -0.244   1.720
  349   HG23  THR  48          HG23      THR  48  -1.311  -1.129   3.232
  350    H    ALA  49           HN       ALA  49   0.727   2.987   3.921
  351    HA   ALA  49           HA       ALA  49   3.213   1.941   3.190
  352    HB1  ALA  49           HB1      ALA  49   2.366   4.108   2.429
  353    HB2  ALA  49           HB2      ALA  49   3.966   4.260   3.157
  354    HB3  ALA  49           HB3      ALA  49   2.532   4.747   4.064
  355    H    ALA  50           HN       ALA  50   2.246   3.617   6.201
  356    HA   ALA  50           HA       ALA  50   4.685   3.492   7.537
  357    HB1  ALA  50           HB1      ALA  50   3.432   3.872   9.585
  358    HB2  ALA  50           HB2      ALA  50   1.938   3.395   8.777
  359    HB3  ALA  50           HB3      ALA  50   2.783   4.860   8.275
  360    H    ARG  51           HN       ARG  51   2.068   1.122   7.483
  361    HA   ARG  51           HA       ARG  51   2.999  -0.765   9.312
  362    HB2  ARG  51           HB2      ARG  51   1.645  -1.279   6.650
  363    HB3  ARG  51           HB1      ARG  51   1.876  -2.492   7.891
  364    HG2  ARG  51           HG2      ARG  51   0.255   0.018   8.215
  365    HG3  ARG  51           HG1      ARG  51  -0.401  -1.565   7.802
  366    HD2  ARG  51           HD2      ARG  51   0.432  -2.461   9.895
  367    HD3  ARG  51           HD1      ARG  51   1.122  -0.890  10.307
  368    HE   ARG  51           HE       ARG  51  -1.516  -0.388   9.827
  369   HH11  ARG  51          HH11      ARG  51   0.140  -2.625  11.991
  370   HH12  ARG  51          HH12      ARG  51  -0.950  -2.419  13.280
  371   HH21  ARG  51          HH21      ARG  51  -3.046  -0.174  11.456
  372   HH22  ARG  51          HH22      ARG  51  -2.896  -1.022  12.950
  373    H    LEU  52           HN       LEU  52   3.731  -0.342   5.932
  374    HA   LEU  52           HA       LEU  52   5.493  -2.573   5.830
  375    HB2  LEU  52           HB2      LEU  52   4.983  -0.395   3.822
  376    HB3  LEU  52           HB1      LEU  52   5.895  -1.864   3.515
  377    HG   LEU  52           HG       LEU  52   2.967  -1.742   4.243
  378   HD11  LEU  52          HD11      LEU  52   2.578  -2.555   1.991
  379   HD12  LEU  52          HD12      LEU  52   4.306  -2.422   1.658
  380   HD13  LEU  52          HD13      LEU  52   3.358  -0.972   1.995
  381   HD21  LEU  52          HD21      LEU  52   4.735  -4.087   3.585
  382   HD22  LEU  52          HD22      LEU  52   2.975  -4.140   3.735
  383   HD23  LEU  52          HD23      LEU  52   3.965  -3.711   5.132
  384    H    GLU  53           HN       GLU  53   5.887   0.885   6.278
  385    HA   GLU  53           HA       GLU  53   8.659   1.034   5.954
  386    HB2  GLU  53           HB2      GLU  53   6.917   2.541   7.913
  387    HB3  GLU  53           HB1      GLU  53   8.602   2.915   7.592
  388    HG2  GLU  53           HG2      GLU  53   7.960   3.327   5.215
  389    HG3  GLU  53           HG1      GLU  53   6.277   3.149   5.713
  390    H    SER  54           HN       SER  54   6.771   0.443   8.870
  391    HA   SER  54           HA       SER  54   8.912  -0.143  10.567
  392    HB2  SER  54           HB2      SER  54   6.707   0.374  11.434
  393    HB3  SER  54           HB1      SER  54   6.021  -1.037  10.635
  394    HG   SER  54           HG       SER  54   7.487  -0.815  12.961
  395    H    ARG  55           HN       ARG  55   6.892  -2.198   8.583
  396    HA   ARG  55           HA       ARG  55   7.767  -4.700   9.473
  397    HB2  ARG  55           HB2      ARG  55   5.666  -4.295   8.382
  398    HB3  ARG  55           HB1      ARG  55   6.472  -3.798   6.921
  399    HG2  ARG  55           HG2      ARG  55   7.106  -6.061   6.445
  400    HG3  ARG  55           HG1      ARG  55   6.506  -6.602   8.028
  401    HD2  ARG  55           HD2      ARG  55   4.269  -5.985   7.481
  402    HD3  ARG  55           HD1      ARG  55   4.801  -5.155   6.033
  403    HE   ARG  55           HE       ARG  55   5.369  -7.464   5.194
  404   HH11  ARG  55          HH11      ARG  55   2.838  -7.008   7.672
  405   HH12  ARG  55          HH12      ARG  55   1.825  -8.209   7.065
  406   HH21  ARG  55          HH21      ARG  55   3.879  -9.080   4.286
  407   HH22  ARG  55          HH22      ARG  55   2.443  -9.397   5.125
  408    H    TYR  56           HN       TYR  56   9.018  -2.689   6.787
  409    HA   TYR  56           HA       TYR  56  11.000  -4.821   6.399
  410    HB2  TYR  56           HB2      TYR  56   9.971  -2.869   4.351
  411    HB3  TYR  56           HB1      TYR  56  11.272  -4.028   4.070
  412    HD1  TYR  56           HD2      TYR  56  10.742  -6.479   4.620
  413    HD2  TYR  56           HD1      TYR  56   7.762  -3.528   3.934
  414    HE1  TYR  56           HE2      TYR  56   9.102  -8.242   4.227
  415    HE2  TYR  56           HE1      TYR  56   6.100  -5.296   3.556
  416    HH   TYR  56           HH       TYR  56   5.974  -7.752   2.977
  417    H    GLY  57           HN       GLY  57  10.755  -1.535   7.320
  418    HA2  GLY  57           HA2      GLY  57  12.504  -0.267   8.121
  419    HA3  GLY  57           HA1      GLY  57  13.640  -1.445   7.469
  420    H    VAL  58           HN       VAL  58  11.159   0.738   6.307
  421    HA   VAL  58           HA       VAL  58  13.015   1.791   4.337
  422    HB   VAL  58           HB       VAL  58  11.189   1.996   2.635
  423   HG11  VAL  58          HG11      VAL  58  11.785  -0.826   3.481
  424   HG12  VAL  58          HG12      VAL  58  12.780   0.192   2.439
  425   HG13  VAL  58          HG13      VAL  58  11.182  -0.331   1.899
  426   HG21  VAL  58          HG21      VAL  58   9.253   1.853   4.104
  427   HG22  VAL  58          HG22      VAL  58   9.648   0.177   4.486
  428   HG23  VAL  58          HG23      VAL  58   9.166   0.617   2.848
  429    H    SER  59           HN       SER  59  11.806   3.857   3.284
  430    HA   SER  59           HA       SER  59  10.532   5.258   5.491
  431    HB2  SER  59           HB2      SER  59  12.864   6.288   3.863
  432    HB3  SER  59           HB1      SER  59  12.000   7.179   5.122
  433    HG   SER  59           HG       SER  59  12.596   4.979   6.254
  434    H    ILE  60           HN       ILE  60   8.627   5.673   4.703
  435    HA   ILE  60           HA       ILE  60   8.378   6.498   1.896
  436    HB   ILE  60           HB       ILE  60   6.288   5.259   3.717
  437   HG12  ILE  60          HG12      ILE  60   7.962   3.608   3.005
  438   HG13  ILE  60          HG11      ILE  60   6.407   3.289   2.253
  439   HG21  ILE  60          HG21      ILE  60   4.853   5.144   1.727
  440   HG22  ILE  60          HG22      ILE  60   6.077   6.019   0.806
  441   HG23  ILE  60          HG23      ILE  60   5.262   6.806   2.158
  442   HD11  ILE  60          HD11      ILE  60   8.778   4.608   0.936
  443   HD12  ILE  60          HD12      ILE  60   7.212   4.297   0.177
  444   HD13  ILE  60          HD13      ILE  60   8.224   2.948   0.690
  445    HA   PRO  61           HA       PRO  61   7.080  10.366   3.751
  446    HB2  PRO  61           HB2      PRO  61   6.387  11.147   1.006
  447    HB3  PRO  61           HB1      PRO  61   7.595  11.858   2.081
  448    HG2  PRO  61           HG2      PRO  61   8.271  10.434  -0.112
  449    HG3  PRO  61           HG1      PRO  61   9.264  10.446   1.358
  450    HD2  PRO  61           HD2      PRO  61   7.326   8.376   0.396
  451    HD3  PRO  61           HD1      PRO  61   8.919   8.160   1.151
  452    H    ASP  62           HN       ASP  62   5.236  10.240   4.695
  453    HA   ASP  62           HA       ASP  62   3.035   8.689   4.168
  454    HB2  ASP  62           HB2      ASP  62   2.991  11.329   5.648
  455    HB3  ASP  62           HB1      ASP  62   1.772  10.072   5.754
  456    H    ASP  63           HN       ASP  63   3.448  12.069   3.369
  457    HA   ASP  63           HA       ASP  63   0.892  12.570   2.353
  458    HB2  ASP  63           HB2      ASP  63   1.807  14.566   1.231
  459    HB3  ASP  63           HB1      ASP  63   2.373  14.424   2.883
  460    H    VAL  64           HN       VAL  64   3.452  10.893   0.838
  461    HA   VAL  64           HA       VAL  64   2.564  11.174  -1.874
  462    HB   VAL  64           HB       VAL  64   4.319   9.148  -0.537
  463   HG11  VAL  64          HG11      VAL  64   3.477   8.283  -2.700
  464   HG12  VAL  64          HG12      VAL  64   5.193   8.659  -2.843
  465   HG13  VAL  64          HG13      VAL  64   3.991   9.766  -3.508
  466   HG21  VAL  64          HG21      VAL  64   6.193  10.454  -1.480
  467   HG22  VAL  64          HG22      VAL  64   5.196  11.398  -0.368
  468   HG23  VAL  64          HG23      VAL  64   5.031  11.622  -2.107
  469    H    ALA  65           HN       ALA  65   1.973   8.949   0.778
  470    HA   ALA  65           HA       ALA  65   0.772   6.886  -0.763
  471    HB1  ALA  65           HB1      ALA  65   1.711   6.465   1.467
  472    HB2  ALA  65           HB2      ALA  65   0.008   5.987   1.364
  473    HB3  ALA  65           HB3      ALA  65   0.451   7.487   2.166
  474    H    GLY  66           HN       GLY  66  -0.316   9.898   0.372
  475    HA2  GLY  66           HA2      GLY  66  -3.117   9.224   0.253
  476    HA3  GLY  66           HA1      GLY  66  -2.438  10.836   0.451
  477    H    ARG  67           HN       ARG  67  -0.868   9.459  -2.080
  478    HA   ARG  67           HA       ARG  67  -2.723  10.619  -4.051
  479    HB2  ARG  67           HB2      ARG  67   0.283  10.822  -3.939
  480    HB3  ARG  67           HB1      ARG  67  -0.742  11.487  -5.209
  481    HG2  ARG  67           HG2      ARG  67  -1.740  13.033  -3.694
  482    HG3  ARG  67           HG1      ARG  67  -0.989  12.244  -2.309
  483    HD2  ARG  67           HD2      ARG  67   1.226  12.900  -3.244
  484    HD3  ARG  67           HD1      ARG  67   0.370  13.833  -4.475
  485    HE   ARG  67           HE       ARG  67  -0.718  14.943  -2.453
  486   HH11  ARG  67          HH11      ARG  67   2.677  13.952  -2.622
  487   HH12  ARG  67          HH12      ARG  67   3.145  14.862  -1.261
  488   HH21  ARG  67          HH21      ARG  67  -0.076  16.313  -0.785
  489   HH22  ARG  67          HH22      ARG  67   1.546  16.360  -0.221
  490    H    VAL  68           HN       VAL  68  -1.825   7.765  -3.086
  491    HA   VAL  68           HA       VAL  68  -0.839   6.774  -5.612
  492    HB   VAL  68           HB       VAL  68  -0.726   4.523  -4.538
  493   HG11  VAL  68          HG11      VAL  68   1.213   5.951  -4.483
  494   HG12  VAL  68          HG12      VAL  68   1.107   5.019  -2.991
  495   HG13  VAL  68          HG13      VAL  68   0.640   6.720  -3.004
  496   HG21  VAL  68          HG21      VAL  68  -1.014   4.299  -2.114
  497   HG22  VAL  68          HG22      VAL  68  -2.536   4.738  -2.897
  498   HG23  VAL  68          HG23      VAL  68  -1.598   5.959  -2.030
  499    H    ASP  69           HN       ASP  69  -2.130   6.532  -7.144
  500    HA   ASP  69           HA       ASP  69  -4.889   6.507  -7.188
  501    HB2  ASP  69           HB2      ASP  69  -2.910   5.403  -9.161
  502    HB3  ASP  69           HB1      ASP  69  -4.637   5.478  -9.468
  503    H    THR  70           HN       THR  70  -2.826   3.736  -7.872
  504    HA   THR  70           HA       THR  70  -5.020   1.932  -7.174
  505    HB   THR  70           HB       THR  70  -3.837   0.432  -8.832
  506    HG1  THR  70           HG1      THR  70  -2.662   2.452 -10.222
  507   HG21  THR  70          HG21      THR  70  -4.772   1.568 -10.811
  508   HG22  THR  70          HG22      THR  70  -4.886   3.068  -9.886
  509   HG23  THR  70          HG23      THR  70  -5.878   1.678  -9.439
  510    HA   PRO  71           HA       PRO  71  -2.192  -0.160  -4.335
  511    HB2  PRO  71           HB2      PRO  71  -2.850  -2.641  -5.871
  512    HB3  PRO  71           HB1      PRO  71  -2.892  -2.363  -4.123
  513    HG2  PRO  71           HG2      PRO  71  -5.147  -2.434  -5.469
  514    HG3  PRO  71           HG1      PRO  71  -4.898  -1.179  -4.235
  515    HD2  PRO  71           HD2      PRO  71  -4.701  -0.967  -7.217
  516    HD3  PRO  71           HD1      PRO  71  -5.438   0.160  -6.057
  517    H    ARG  72           HN       ARG  72  -2.071  -0.775  -7.790
  518    HA   ARG  72           HA       ARG  72   0.509  -1.863  -8.003
  519    HB2  ARG  72           HB2      ARG  72  -1.026  -1.868  -9.899
  520    HB3  ARG  72           HB1      ARG  72  -1.049  -0.114  -9.927
  521    HG2  ARG  72           HG2      ARG  72   0.311  -0.961 -11.738
  522    HG3  ARG  72           HG1      ARG  72   1.323  -0.103 -10.578
  523    HD2  ARG  72           HD2      ARG  72   2.448  -2.116 -11.280
  524    HD3  ARG  72           HD1      ARG  72   1.965  -2.276  -9.591
  525    HE   ARG  72           HE       ARG  72   0.017  -3.344 -11.360
  526   HH11  ARG  72          HH11      ARG  72   3.183  -4.094  -9.897
  527   HH12  ARG  72          HH12      ARG  72   2.965  -5.784  -9.954
  528   HH21  ARG  72          HH21      ARG  72  -0.242  -5.709 -11.475
  529   HH22  ARG  72          HH22      ARG  72   0.987  -6.714 -10.911
  530    H    GLU  73           HN       GLU  73  -0.618   1.484  -7.923
  531    HA   GLU  73           HA       GLU  73   1.876   2.748  -8.364
  532    HB2  GLU  73           HB2      GLU  73  -0.350   3.841  -8.620
  533    HB3  GLU  73           HB1      GLU  73  -0.562   3.774  -6.880
  534    HG2  GLU  73           HG2      GLU  73   0.090   6.002  -7.554
  535    HG3  GLU  73           HG1      GLU  73   1.367   5.253  -6.601
  536    H    LEU  74           HN       LEU  74   0.111   1.896  -5.430
  537    HA   LEU  74           HA       LEU  74   1.964   2.916  -3.547
  538    HB2  LEU  74           HB2      LEU  74  -0.441   2.347  -3.109
  539    HB3  LEU  74           HB1      LEU  74  -0.052   0.658  -3.257
  540    HG   LEU  74           HG       LEU  74  -0.440   1.477  -0.923
  541   HD11  LEU  74          HD11      LEU  74   0.766  -0.583  -1.248
  542   HD12  LEU  74          HD12      LEU  74   1.420   0.308   0.124
  543   HD13  LEU  74          HD13      LEU  74   2.281   0.306  -1.415
  544   HD21  LEU  74          HD21      LEU  74   1.336   2.730   0.207
  545   HD22  LEU  74          HD22      LEU  74   0.594   3.664  -1.094
  546   HD23  LEU  74          HD23      LEU  74   2.173   2.919  -1.333
  547    H    LEU  75           HN       LEU  75   1.519  -0.239  -5.005
  548    HA   LEU  75           HA       LEU  75   3.439  -1.777  -3.718
  549    HB2  LEU  75           HB2      LEU  75   1.647  -2.581  -5.225
  550    HB3  LEU  75           HB1      LEU  75   2.501  -1.894  -6.586
  551    HG   LEU  75           HG       LEU  75   4.344  -3.497  -6.194
  552   HD11  LEU  75          HD11      LEU  75   3.988  -3.789  -3.811
  553   HD12  LEU  75          HD12      LEU  75   3.993  -5.336  -4.667
  554   HD13  LEU  75          HD13      LEU  75   2.471  -4.626  -4.130
  555   HD21  LEU  75          HD21      LEU  75   3.133  -5.466  -6.968
  556   HD22  LEU  75          HD22      LEU  75   2.564  -4.005  -7.777
  557   HD23  LEU  75          HD23      LEU  75   1.609  -4.722  -6.480
  558    H    ASP  76           HN       ASP  76   3.655   0.016  -6.774
  559    HA   ASP  76           HA       ASP  76   6.314  -0.544  -7.381
  560    HB2  ASP  76           HB2      ASP  76   4.792   0.391  -9.032
  561    HB3  ASP  76           HB1      ASP  76   4.688   1.890  -8.117
  562    H    LEU  77           HN       LEU  77   4.951   2.157  -5.586
  563    HA   LEU  77           HA       LEU  77   7.259   3.652  -5.132
  564    HB2  LEU  77           HB2      LEU  77   5.166   4.605  -4.568
  565    HB3  LEU  77           HB1      LEU  77   4.753   3.271  -3.518
  566    HG   LEU  77           HG       LEU  77   6.486   4.016  -1.918
  567   HD11  LEU  77          HD11      LEU  77   6.790   6.425  -3.706
  568   HD12  LEU  77          HD12      LEU  77   7.994   5.166  -3.408
  569   HD13  LEU  77          HD13      LEU  77   7.487   6.215  -2.093
  570   HD21  LEU  77          HD21      LEU  77   4.432   6.102  -2.626
  571   HD22  LEU  77          HD22      LEU  77   5.267   5.951  -1.078
  572   HD23  LEU  77          HD23      LEU  77   4.175   4.680  -1.616
  573    H    ILE  78           HN       ILE  78   5.797   1.239  -2.990
  574    HA   ILE  78           HA       ILE  78   7.961   1.467  -1.193
  575    HB   ILE  78           HB       ILE  78   5.700  -0.551  -1.220
  576   HG12  ILE  78          HG12      ILE  78   6.170   2.010   0.325
  577   HG13  ILE  78          HG11      ILE  78   5.048   1.805  -1.011
  578   HG21  ILE  78          HG21      ILE  78   7.708   0.093   0.966
  579   HG22  ILE  78          HG22      ILE  78   7.647  -1.412   0.049
  580   HG23  ILE  78          HG23      ILE  78   6.319  -0.984   1.132
  581   HD11  ILE  78          HD11      ILE  78   4.905   0.447   1.656
  582   HD12  ILE  78          HD12      ILE  78   3.776   0.236   0.318
  583   HD13  ILE  78          HD13      ILE  78   3.910   1.807   1.120
  584    H    ASN  79           HN       ASN  79   7.183  -0.934  -3.680
  585    HA   ASN  79           HA       ASN  79   9.362  -2.635  -3.076
  586    HB2  ASN  79           HB2      ASN  79   7.958  -2.155  -5.705
  587    HB3  ASN  79           HB1      ASN  79   9.325  -3.253  -5.571
  588   HD21  ASN  79          HD21      ASN  79   6.702  -3.898  -6.360
  589   HD22  ASN  79          HD22      ASN  79   6.085  -5.036  -5.199
  590    H    GLY  80           HN       GLY  80   9.177   0.323  -4.873
  591    HA2  GLY  80           HA2      GLY  80  11.784   0.294  -5.961
  592    HA3  GLY  80           HA1      GLY  80  10.821   1.734  -5.636
  593    H    ALA  81           HN       ALA  81  10.466   1.582  -2.965
  594    HA   ALA  81           HA       ALA  81  12.890   2.544  -1.902
  595    HB1  ALA  81           HB1      ALA  81  10.436   1.578  -0.424
  596    HB2  ALA  81           HB2      ALA  81  10.697   3.217  -1.025
  597    HB3  ALA  81           HB3      ALA  81  11.724   2.572   0.256
  598    H    LEU  82           HN       LEU  82  11.237  -0.556  -1.592
  599    HA   LEU  82           HA       LEU  82  12.955  -1.865   0.184
  600    HB2  LEU  82           HB2      LEU  82  11.335  -2.988  -2.098
  601    HB3  LEU  82           HB1      LEU  82  12.133  -3.968  -0.888
  602    HG   LEU  82           HG       LEU  82   9.948  -1.969  -0.302
  603   HD11  LEU  82          HD11      LEU  82   8.527  -3.922   0.031
  604   HD12  LEU  82          HD12      LEU  82   9.843  -4.973  -0.487
  605   HD13  LEU  82          HD13      LEU  82   9.119  -3.840  -1.627
  606   HD21  LEU  82          HD21      LEU  82   9.894  -3.063   1.872
  607   HD22  LEU  82          HD22      LEU  82  11.470  -2.339   1.552
  608   HD23  LEU  82          HD23      LEU  82  11.251  -4.083   1.394
  609    H    ALA  83           HN       ALA  83  13.171  -1.450  -3.292
  610    HA   ALA  83           HA       ALA  83  15.334  -3.193  -3.748
  611    HB1  ALA  83           HB1      ALA  83  13.881  -2.357  -5.542
  612    HB2  ALA  83           HB2      ALA  83  15.584  -2.046  -5.885
  613    HB3  ALA  83           HB3      ALA  83  14.546  -0.738  -5.319
  614    H    GLU  84           HN       GLU  84  15.189   0.025  -2.506
  615    HA   GLU  84           HA       GLU  84  18.068   0.401  -2.810
  616    HB2  GLU  84           HB2      GLU  84  16.481   2.274  -3.295
  617    HB3  GLU  84           HB1      GLU  84  15.995   2.251  -1.608
  618    HG2  GLU  84           HG2      GLU  84  17.562   4.042  -1.997
  619    HG3  GLU  84           HG1      GLU  84  18.294   2.822  -0.956
  620    H    ALA  85           HN       ALA  85  15.613  -0.268  -0.442
  621    HA   ALA  85           HA       ALA  85  16.840   0.353   1.937
  622    HB1  ALA  85           HB1      ALA  85  14.479  -0.234   1.708
  623    HB2  ALA  85           HB2      ALA  85  15.271  -1.152   2.989
  624    HB3  ALA  85           HB3      ALA  85  14.933  -1.916   1.435
  625    H    ALA  86           HN       ALA  86  18.741  -0.191   2.505
  626    HA   ALA  86           HA       ALA  86  19.415  -2.902   3.059
  627    HB1  ALA  86           HB1      ALA  86  20.205  -2.736   0.732
  628    HB2  ALA  86           HB2      ALA  86  21.577  -2.797   1.840
  629    HB3  ALA  86           HB3      ALA  86  21.085  -1.260   1.127
  630    H28  SXV  87          H28A      SXV  87  -3.913  11.713   2.214
  631   H28A  SXV  87          H28B      SXV  87  -3.967  12.858   0.876
  632    H30  SXV  87          H30C      SXV  87  -4.426  13.574   4.435
  633   H30A  SXV  87          H30A      SXV  87  -2.749  14.002   4.776
  634   H30B  SXV  87          H30B      SXV  87  -3.171  12.334   4.391
  635    H31  SXV  87          H31C      SXV  87  -1.500  12.286   2.570
  636   H31A  SXV  87          H31A      SXV  87  -1.053  13.969   2.866
  637   H31B  SXV  87          H31B      SXV  87  -1.589  13.481   1.267
  638    H32  SXV  87          H32A      SXV  87  -4.439  15.421   2.701
  639   HO33  SXV  87          H33A      SXV  87  -4.281  15.666   0.647
  640   HN36  SXV  87          H36A      SXV  87  -2.373  17.048   1.339
  641    H37  SXV  87          H37B      SXV  87  -0.199  17.606   3.088
  642   H37A  SXV  87          H37A      SXV  87  -1.541  18.695   3.434
  643    H38  SXV  87          H38B      SXV  87  -1.527  19.437   1.105
  644   H38A  SXV  87          H38A      SXV  87  -0.165  18.365   0.792
  645   HN41  SXV  87          H41A      SXV  87   0.201  20.909   0.183
  646    H42  SXV  87          H42B      SXV  87   2.480  21.851   0.976
  647   H42A  SXV  87          H42A      SXV  87   1.503  22.272   2.391
  648    H43  SXV  87          H43B      SXV  87   1.070  23.263  -0.411
  649   H43A  SXV  87          H43A      SXV  87  -0.042  23.486   0.952
  650    H1   SXV  87           H1B      SXV  87   1.520  27.042   0.519
  651    H1A  SXV  87           H1A      SXV  87   1.106  25.888  -0.767
  652    H2   SXV  87           H2A      SXV  87  -0.551  26.314   1.673
  653    H2A  SXV  87           H2B      SXV  87  -0.906  25.239   0.321
  654    H4   SXV  87           H4C      SXV  87  -0.158  27.296  -1.996
  655    H4A  SXV  87           H4A      SXV  87  -1.705  28.152  -1.981
  656    H4B  SXV  87           H4B      SXV  87  -1.672  26.383  -1.955
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  21.854  -7.477  -5.135
    2    H2   MET   1           HT2      MET   1  21.341  -5.938  -4.635
    3    H3   MET   1           HT3      MET   1  20.455  -6.778  -5.812
    4    HA   MET   1           HA       MET   1  19.799  -8.393  -4.246
    5    HB2  MET   1           HB2      MET   1  21.228  -6.590  -2.269
    6    HB3  MET   1           HB1      MET   1  20.147  -7.903  -1.834
    7    HG2  MET   1           HG2      MET   1  21.684  -9.488  -2.909
    8    HG3  MET   1           HG1      MET   1  22.777  -8.154  -3.268
    9    HE1  MET   1           HE1      MET   1  21.735  -9.586   0.994
   10    HE2  MET   1           HE2      MET   1  21.116 -10.339  -0.476
   11    HE3  MET   1           HE3      MET   1  20.596  -8.713  -0.034
   12    H    ALA   2           HN       ALA   2  17.750  -8.077  -3.638
   13    HA   ALA   2           HA       ALA   2  16.733  -5.547  -2.834
   14    HB1  ALA   2           HB1      ALA   2  15.189  -5.282  -4.733
   15    HB2  ALA   2           HB2      ALA   2  15.967  -6.634  -5.554
   16    HB3  ALA   2           HB3      ALA   2  16.870  -5.149  -5.254
   17    H    THR   3           HN       THR   3  15.525  -6.343  -1.234
   18    HA   THR   3           HA       THR   3  14.221  -8.891  -1.577
   19    HB   THR   3           HB       THR   3  15.225  -8.456   0.603
   20    HG1  THR   3           HG1      THR   3  13.174  -9.585   0.507
   21   HG21  THR   3          HG21      THR   3  14.428  -6.680   2.132
   22   HG22  THR   3          HG22      THR   3  13.391  -6.057   0.850
   23   HG23  THR   3          HG23      THR   3  15.145  -6.009   0.665
   24    H    LEU   4           HN       LEU   4  12.479  -8.864  -2.795
   25    HA   LEU   4           HA       LEU   4  10.848  -6.432  -2.869
   26    HB2  LEU   4           HB2      LEU   4  10.909  -8.763  -4.779
   27    HB3  LEU   4           HB1      LEU   4   9.919  -7.332  -4.960
   28    HG   LEU   4           HG       LEU   4  12.936  -7.409  -5.032
   29   HD11  LEU   4          HD11      LEU   4  12.669  -6.835  -7.386
   30   HD12  LEU   4          HD12      LEU   4  10.919  -6.962  -7.219
   31   HD13  LEU   4          HD13      LEU   4  11.932  -8.391  -7.008
   32   HD21  LEU   4          HD21      LEU   4  12.779  -5.053  -5.699
   33   HD22  LEU   4          HD22      LEU   4  12.118  -5.312  -4.084
   34   HD23  LEU   4          HD23      LEU   4  11.032  -5.102  -5.457
   35    H    LEU   5           HN       LEU   5   8.552  -6.575  -2.847
   36    HA   LEU   5           HA       LEU   5   7.599  -8.894  -1.342
   37    HB2  LEU   5           HB2      LEU   5   6.130  -7.541  -0.116
   38    HB3  LEU   5           HB1      LEU   5   7.606  -6.616  -0.165
   39    HG   LEU   5           HG       LEU   5   5.181  -6.103  -1.884
   40   HD11  LEU   5          HD11      LEU   5   6.129  -4.689   0.597
   41   HD12  LEU   5          HD12      LEU   5   4.679  -5.683   0.440
   42   HD13  LEU   5          HD13      LEU   5   4.802  -4.155  -0.434
   43   HD21  LEU   5          HD21      LEU   5   7.102  -5.202  -3.000
   44   HD22  LEU   5          HD22      LEU   5   7.710  -4.499  -1.499
   45   HD23  LEU   5          HD23      LEU   5   6.244  -3.864  -2.245
   46    H    THR   6           HN       THR   6   5.445  -9.586  -1.822
   47    HA   THR   6           HA       THR   6   4.790  -9.187  -4.629
   48    HB   THR   6           HB       THR   6   3.397 -11.196  -4.362
   49    HG1  THR   6           HG1      THR   6   4.393 -11.279  -1.676
   50   HG21  THR   6          HG21      THR   6   5.779 -11.477  -4.918
   51   HG22  THR   6          HG22      THR   6   5.203 -12.813  -3.920
   52   HG23  THR   6          HG23      THR   6   6.173 -11.527  -3.201
   53    H    THR   7           HN       THR   7   2.136  -9.795  -4.719
   54    HA   THR   7           HA       THR   7   0.896  -7.413  -3.709
   55    HB   THR   7           HB       THR   7  -0.378  -9.793  -5.123
   56    HG1  THR   7           HG1      THR   7   1.462  -8.411  -6.150
   57   HG21  THR   7          HG21      THR   7  -1.259  -6.902  -4.895
   58   HG22  THR   7          HG22      THR   7  -1.988  -8.265  -4.043
   59   HG23  THR   7          HG23      THR   7  -2.096  -8.165  -5.801
   60    H    ASP   8           HN       ASP   8   1.271 -10.706  -2.794
   61    HA   ASP   8           HA       ASP   8  -0.863 -10.934  -0.928
   62    HB2  ASP   8           HB2      ASP   8   0.126 -12.948  -1.820
   63    HB3  ASP   8           HB1      ASP   8   1.734 -12.439  -1.333
   64    H    ASP   9           HN       ASP   9   2.497 -10.045  -0.808
   65    HA   ASP   9           HA       ASP   9   2.687  -9.571   1.980
   66    HB2  ASP   9           HB2      ASP   9   4.294  -8.397  -0.298
   67    HB3  ASP   9           HB1      ASP   9   4.672  -8.170   1.401
   68    H    LEU  10           HN       LEU  10   1.976  -7.504  -0.766
   69    HA   LEU  10           HA       LEU  10   1.680  -5.053   0.567
   70    HB2  LEU  10           HB2      LEU  10   1.804  -5.284  -1.875
   71    HB3  LEU  10           HB1      LEU  10   0.261  -6.108  -1.880
   72    HG   LEU  10           HG       LEU  10  -0.802  -4.024  -1.042
   73   HD11  LEU  10          HD11      LEU  10   1.911  -2.831  -1.541
   74   HD12  LEU  10          HD12      LEU  10   1.115  -3.013   0.025
   75   HD13  LEU  10          HD13      LEU  10   0.438  -1.928  -1.187
   76   HD21  LEU  10          HD21      LEU  10  -0.691  -2.830  -3.180
   77   HD22  LEU  10          HD22      LEU  10  -0.823  -4.574  -3.418
   78   HD23  LEU  10          HD23      LEU  10   0.732  -3.769  -3.625
   79    H    ARG  11           HN       ARG  11  -0.696  -7.531  -0.260
   80    HA   ARG  11           HA       ARG  11  -2.994  -6.361   0.681
   81    HB2  ARG  11           HB2      ARG  11  -3.044  -8.326  -0.686
   82    HB3  ARG  11           HB1      ARG  11  -2.215  -9.265   0.544
   83    HG2  ARG  11           HG2      ARG  11  -4.154  -9.183   1.970
   84    HG3  ARG  11           HG1      ARG  11  -4.979  -8.100   0.844
   85    HD2  ARG  11           HD2      ARG  11  -5.701 -10.460   0.636
   86    HD3  ARG  11           HD1      ARG  11  -5.013  -9.805  -0.850
   87    HE   ARG  11           HE       ARG  11  -3.280 -11.339   0.947
   88   HH11  ARG  11          HH11      ARG  11  -4.980 -11.115  -2.155
   89   HH12  ARG  11          HH12      ARG  11  -4.189 -12.463  -2.839
   90   HH21  ARG  11          HH21      ARG  11  -2.127 -13.165  -0.063
   91   HH22  ARG  11          HH22      ARG  11  -2.544 -13.634  -1.618
   92    H    ARG  12           HN       ARG  12  -0.654  -8.289   2.506
   93    HA   ARG  12           HA       ARG  12  -2.145  -8.539   4.870
   94    HB2  ARG  12           HB2      ARG  12   0.829  -8.440   4.488
   95    HB3  ARG  12           HB1      ARG  12   0.095  -8.662   6.068
   96    HG2  ARG  12           HG2      ARG  12  -1.048 -10.653   5.202
   97    HG3  ARG  12           HG1      ARG  12  -0.194 -10.438   3.674
   98    HD2  ARG  12           HD2      ARG  12   1.947 -10.632   4.874
   99    HD3  ARG  12           HD1      ARG  12   1.054 -10.929   6.375
  100    HE   ARG  12           HE       ARG  12   0.447 -12.996   5.620
  101   HH11  ARG  12          HH11      ARG  12   2.593 -11.416   3.301
  102   HH12  ARG  12          HH12      ARG  12   2.383 -12.673   2.129
  103   HH21  ARG  12          HH21      ARG  12   0.282 -14.714   3.985
  104   HH22  ARG  12          HH22      ARG  12   1.132 -14.466   2.497
  105    H    ALA  13           HN       ALA  13   0.094  -5.962   3.981
  106    HA   ALA  13           HA       ALA  13  -0.190  -4.617   6.477
  107    HB1  ALA  13           HB1      ALA  13   1.021  -2.790   5.431
  108    HB2  ALA  13           HB2      ALA  13   0.821  -3.553   3.850
  109    HB3  ALA  13           HB3      ALA  13   1.789  -4.340   5.093
  110    H    LEU  14           HN       LEU  14  -1.858  -4.512   3.457
  111    HA   LEU  14           HA       LEU  14  -3.270  -2.102   3.949
  112    HB2  LEU  14           HB2      LEU  14  -2.919  -3.200   1.698
  113    HB3  LEU  14           HB1      LEU  14  -4.077  -4.418   2.177
  114    HG   LEU  14           HG       LEU  14  -5.846  -2.706   2.276
  115   HD11  LEU  14          HD11      LEU  14  -5.408  -0.456   1.432
  116   HD12  LEU  14          HD12      LEU  14  -3.692  -0.836   1.292
  117   HD13  LEU  14          HD13      LEU  14  -4.457  -0.787   2.880
  118   HD21  LEU  14          HD21      LEU  14  -5.981  -2.266  -0.123
  119   HD22  LEU  14          HD22      LEU  14  -5.451  -3.917   0.193
  120   HD23  LEU  14          HD23      LEU  14  -4.280  -2.696  -0.299
  121    H    VAL  15           HN       VAL  15  -3.886  -5.527   4.554
  122    HA   VAL  15           HA       VAL  15  -6.478  -5.157   5.636
  123    HB   VAL  15           HB       VAL  15  -4.576  -7.511   6.024
  124   HG11  VAL  15          HG11      VAL  15  -6.267  -7.484   7.791
  125   HG12  VAL  15          HG12      VAL  15  -6.554  -8.813   6.666
  126   HG13  VAL  15          HG13      VAL  15  -7.540  -7.354   6.581
  127   HG21  VAL  15          HG21      VAL  15  -5.189  -7.155   3.703
  128   HG22  VAL  15          HG22      VAL  15  -6.896  -7.138   4.144
  129   HG23  VAL  15          HG23      VAL  15  -5.952  -8.617   4.332
  130    H    GLU  16           HN       GLU  16  -3.317  -4.803   6.952
  131    HA   GLU  16           HA       GLU  16  -4.042  -4.892   9.689
  132    HB2  GLU  16           HB2      GLU  16  -1.703  -3.498   8.348
  133    HB3  GLU  16           HB1      GLU  16  -1.929  -3.610  10.086
  134    HG2  GLU  16           HG2      GLU  16  -1.798  -6.014   9.991
  135    HG3  GLU  16           HG1      GLU  16  -1.677  -5.958   8.236
  136    H    SER  17           HN       SER  17  -4.151  -2.389   7.272
  137    HA   SER  17           HA       SER  17  -4.991  -0.443   9.244
  138    HB2  SER  17           HB2      SER  17  -3.566   0.215   7.287
  139    HB3  SER  17           HB1      SER  17  -4.915  -0.176   6.221
  140    HG   SER  17           HG       SER  17  -5.010   1.657   8.359
  141    H    ALA  18           HN       ALA  18  -6.349  -2.536   6.794
  142    HA   ALA  18           HA       ALA  18  -8.947  -1.490   6.730
  143    HB1  ALA  18           HB1      ALA  18  -8.109  -4.343   6.258
  144    HB2  ALA  18           HB2      ALA  18  -8.073  -3.058   5.050
  145    HB3  ALA  18           HB3      ALA  18  -9.611  -3.589   5.727
  146    H    GLY  19           HN       GLY  19  -7.572  -4.157   8.639
  147    HA2  GLY  19           HA2      GLY  19  -8.164  -4.974  10.688
  148    HA3  GLY  19           HA1      GLY  19  -9.214  -3.575  10.892
  149    H    GLU  20           HN       GLU  20 -11.311  -3.742  10.522
  150    HA   GLU  20           HA       GLU  20 -12.483  -6.355  10.265
  151    HB2  GLU  20           HB2      GLU  20 -13.329  -4.331  11.648
  152    HB3  GLU  20           HB1      GLU  20 -13.902  -3.688  10.120
  153    HG2  GLU  20           HG2      GLU  20 -15.674  -4.792  11.335
  154    HG3  GLU  20           HG1      GLU  20 -15.320  -5.643   9.829
  155    H    THR  21           HN       THR  21 -12.105  -7.179   8.208
  156    HA   THR  21           HA       THR  21 -12.339  -5.319   5.979
  157    HB   THR  21           HB       THR  21 -10.874  -7.946   5.987
  158    HG1  THR  21           HG1      THR  21 -10.105  -6.455   7.641
  159   HG21  THR  21          HG21      THR  21  -9.605  -6.881   4.157
  160   HG22  THR  21          HG22      THR  21 -10.582  -5.424   4.327
  161   HG23  THR  21          HG23      THR  21 -11.329  -6.928   3.785
  162    H    ASP  22           HN       ASP  22 -14.724  -5.901   6.369
  163    HA   ASP  22           HA       ASP  22 -15.341  -7.966   4.387
  164    HB2  ASP  22           HB2      ASP  22 -17.505  -8.408   5.438
  165    HB3  ASP  22           HB1      ASP  22 -16.225  -8.688   6.606
  166    H    GLY  23           HN       GLY  23 -16.973  -7.415   2.925
  167    HA2  GLY  23           HA2      GLY  23 -18.291  -5.853   1.754
  168    HA3  GLY  23           HA1      GLY  23 -17.746  -4.584   2.866
  169    H    THR  24           HN       THR  24 -15.181  -4.797   2.930
  170    HA   THR  24           HA       THR  24 -14.162  -3.950   0.393
  171    HB   THR  24           HB       THR  24 -12.598  -4.565   2.909
  172    HG1  THR  24           HG1      THR  24 -13.411  -2.893   3.872
  173   HG21  THR  24          HG21      THR  24 -12.261  -2.470   0.742
  174   HG22  THR  24          HG22      THR  24 -11.315  -3.951   0.895
  175   HG23  THR  24          HG23      THR  24 -11.195  -2.699   2.130
  176    H    ASP  25           HN       ASP  25 -14.683  -6.141  -0.630
  177    HA   ASP  25           HA       ASP  25 -13.267  -8.483   0.194
  178    HB2  ASP  25           HB2      ASP  25 -15.334  -8.473  -1.303
  179    HB3  ASP  25           HB1      ASP  25 -14.299  -7.889  -2.602
  180    H    LEU  26           HN       LEU  26 -11.171  -8.726   0.094
  181    HA   LEU  26           HA       LEU  26  -9.673  -7.152  -1.898
  182    HB2  LEU  26           HB2      LEU  26  -9.683  -6.205   0.407
  183    HB3  LEU  26           HB1      LEU  26  -8.910  -7.668   0.967
  184    HG   LEU  26           HG       LEU  26  -6.996  -7.136  -0.555
  185   HD11  LEU  26          HD11      LEU  26  -8.158  -5.652  -2.088
  186   HD12  LEU  26          HD12      LEU  26  -6.789  -4.827  -1.339
  187   HD13  LEU  26          HD13      LEU  26  -8.429  -4.491  -0.787
  188   HD21  LEU  26          HD21      LEU  26  -6.917  -6.703   1.835
  189   HD22  LEU  26          HD22      LEU  26  -7.682  -5.131   1.588
  190   HD23  LEU  26          HD23      LEU  26  -6.068  -5.438   0.947
  191    H    SER  27           HN       SER  27 -10.385 -10.204  -0.736
  192    HA   SER  27           HA       SER  27  -7.757 -11.294  -1.031
  193    HB2  SER  27           HB2      SER  27  -9.451 -12.207   0.592
  194    HB3  SER  27           HB1      SER  27 -10.391 -12.772  -0.787
  195    HG   SER  27           HG       SER  27  -8.736 -14.176   0.376
  196    H    GLY  28           HN       GLY  28  -7.088 -10.917  -3.059
  197    HA2  GLY  28           HA2      GLY  28  -7.426 -12.726  -5.024
  198    HA3  GLY  28           HA1      GLY  28  -8.637 -11.485  -5.364
  199    H    ASP  29           HN       ASP  29  -7.741 -10.559  -7.100
  200    HA   ASP  29           HA       ASP  29  -5.067  -9.399  -6.737
  201    HB2  ASP  29           HB2      ASP  29  -5.179 -11.057  -8.595
  202    HB3  ASP  29           HB1      ASP  29  -6.449 -10.093  -9.344
  203    H    PHE  30           HN       PHE  30  -5.139  -7.324  -6.445
  204    HA   PHE  30           HA       PHE  30  -7.542  -5.860  -7.319
  205    HB2  PHE  30           HB2      PHE  30  -7.403  -4.626  -5.145
  206    HB3  PHE  30           HB1      PHE  30  -7.811  -6.329  -5.000
  207    HD1  PHE  30           HD2      PHE  30  -6.240  -7.896  -3.971
  208    HD2  PHE  30           HD1      PHE  30  -5.280  -3.765  -4.333
  209    HE1  PHE  30           HE2      PHE  30  -4.398  -8.186  -2.367
  210    HE2  PHE  30           HE1      PHE  30  -3.437  -4.051  -2.732
  211    HZ   PHE  30           HZ       PHE  30  -3.011  -6.280  -1.733
  212    H    LEU  31           HN       LEU  31  -4.722  -5.934  -8.431
  213    HA   LEU  31           HA       LEU  31  -3.580  -3.415  -7.634
  214    HB2  LEU  31           HB2      LEU  31  -2.828  -5.257  -9.890
  215    HB3  LEU  31           HB1      LEU  31  -1.926  -3.826  -9.431
  216    HG   LEU  31           HG       LEU  31  -2.342  -6.276  -7.722
  217   HD11  LEU  31          HD11      LEU  31  -0.811  -6.647  -9.563
  218   HD12  LEU  31          HD12      LEU  31   0.052  -6.593  -8.025
  219   HD13  LEU  31          HD13      LEU  31   0.100  -5.207  -9.114
  220   HD21  LEU  31          HD21      LEU  31  -0.742  -3.772  -7.187
  221   HD22  LEU  31          HD22      LEU  31  -0.772  -5.213  -6.174
  222   HD23  LEU  31          HD23      LEU  31  -2.231  -4.241  -6.368
  223    H    ASP  32           HN       ASP  32  -5.898  -4.332  -9.914
  224    HA   ASP  32           HA       ASP  32  -5.420  -2.129 -11.736
  225    HB2  ASP  32           HB2      ASP  32  -7.295  -3.074 -13.012
  226    HB3  ASP  32           HB1      ASP  32  -6.038  -4.263 -12.684
  227    H    LEU  33           HN       LEU  33  -7.199  -2.562  -8.892
  228    HA   LEU  33           HA       LEU  33  -9.256  -0.731  -9.774
  229    HB2  LEU  33           HB2      LEU  33 -10.331  -1.125  -7.540
  230    HB3  LEU  33           HB1      LEU  33 -10.232  -2.514  -8.592
  231    HG   LEU  33           HG       LEU  33  -8.249  -3.273  -7.190
  232   HD11  LEU  33          HD11      LEU  33  -7.684  -1.175  -6.111
  233   HD12  LEU  33          HD12      LEU  33  -8.076  -2.413  -4.917
  234   HD13  LEU  33          HD13      LEU  33  -9.250  -1.155  -5.302
  235   HD21  LEU  33          HD21      LEU  33  -9.674  -4.176  -5.426
  236   HD22  LEU  33          HD22      LEU  33 -10.442  -4.280  -7.011
  237   HD23  LEU  33          HD23      LEU  33 -10.940  -3.029  -5.868
  238    H    ARG  34           HN       ARG  34  -9.966   0.917  -8.026
  239    HA   ARG  34           HA       ARG  34  -7.576   2.480  -7.406
  240    HB2  ARG  34           HB2      ARG  34 -10.478   3.190  -7.795
  241    HB3  ARG  34           HB1      ARG  34  -9.272   4.331  -7.229
  242    HG2  ARG  34           HG2      ARG  34  -9.112   2.878  -9.852
  243    HG3  ARG  34           HG1      ARG  34  -9.822   4.480  -9.652
  244    HD2  ARG  34           HD2      ARG  34  -6.991   3.737  -8.933
  245    HD3  ARG  34           HD1      ARG  34  -7.478   4.547 -10.425
  246    HE   ARG  34           HE       ARG  34  -7.923   5.687  -7.751
  247   HH11  ARG  34          HH11      ARG  34  -6.690   6.016 -11.066
  248   HH12  ARG  34          HH12      ARG  34  -6.633   7.716 -11.024
  249   HH21  ARG  34          HH21      ARG  34  -7.806   8.036  -7.675
  250   HH22  ARG  34          HH22      ARG  34  -7.245   8.895  -9.017
  251    H    PHE  35           HN       PHE  35  -7.726   3.692  -5.354
  252    HA   PHE  35           HA       PHE  35  -8.643   1.980  -3.267
  253    HB2  PHE  35           HB2      PHE  35  -7.484   4.771  -3.180
  254    HB3  PHE  35           HB1      PHE  35  -7.892   3.833  -1.744
  255    HD1  PHE  35           HD2      PHE  35  -6.836   1.463  -1.612
  256    HD2  PHE  35           HD1      PHE  35  -5.350   4.615  -4.049
  257    HE1  PHE  35           HE2      PHE  35  -4.639   0.361  -1.687
  258    HE2  PHE  35           HE1      PHE  35  -3.157   3.511  -4.137
  259    HZ   PHE  35           HZ       PHE  35  -2.797   1.386  -2.951
  260    H    GLU  36           HN       GLU  36  -9.895   4.490  -5.070
  261    HA   GLU  36           HA       GLU  36 -12.026   5.488  -3.572
  262    HB2  GLU  36           HB2      GLU  36 -11.256   6.259  -5.841
  263    HB3  GLU  36           HB1      GLU  36 -11.978   4.818  -6.531
  264    HG2  GLU  36           HG2      GLU  36 -13.456   6.635  -6.902
  265    HG3  GLU  36           HG1      GLU  36 -14.180   5.606  -5.669
  266    H    ASP  37           HN       ASP  37 -11.708   2.550  -5.568
  267    HA   ASP  37           HA       ASP  37 -14.375   1.640  -5.430
  268    HB2  ASP  37           HB2      ASP  37 -11.829   0.059  -5.864
  269    HB3  ASP  37           HB1      ASP  37 -13.449  -0.580  -6.075
  270    H    ILE  38           HN       ILE  38 -11.624   1.220  -3.350
  271    HA   ILE  38           HA       ILE  38 -13.202  -0.629  -1.752
  272    HB   ILE  38           HB       ILE  38 -11.050  -1.250  -0.603
  273   HG12  ILE  38          HG12      ILE  38  -9.839   0.293  -2.926
  274   HG13  ILE  38          HG11      ILE  38  -9.752   0.763  -1.237
  275   HG21  ILE  38          HG21      ILE  38 -12.092  -2.637  -2.273
  276   HG22  ILE  38          HG22      ILE  38 -10.333  -2.686  -2.485
  277   HG23  ILE  38          HG23      ILE  38 -11.338  -1.691  -3.555
  278   HD11  ILE  38          HD11      ILE  38  -8.436  -1.244  -0.753
  279   HD12  ILE  38          HD12      ILE  38  -7.672  -0.238  -1.983
  280   HD13  ILE  38          HD13      ILE  38  -8.527  -1.708  -2.454
  281    H    GLY  39           HN       GLY  39 -13.129   2.362  -1.778
  282    HA2  GLY  39           HA2      GLY  39 -13.767   3.967  -0.253
  283    HA3  GLY  39           HA1      GLY  39 -14.036   2.658   0.875
  284    H    TYR  40           HN       TYR  40 -10.945   3.560  -0.563
  285    HA   TYR  40           HA       TYR  40  -9.992   4.267   2.116
  286    HB2  TYR  40           HB2      TYR  40  -8.582   3.217  -0.318
  287    HB3  TYR  40           HB1      TYR  40  -7.690   4.090   0.914
  288    HD1  TYR  40           HD2      TYR  40  -9.996   1.180   0.522
  289    HD2  TYR  40           HD1      TYR  40  -6.785   2.920   2.682
  290    HE1  TYR  40           HE2      TYR  40  -9.717  -0.910   1.780
  291    HE2  TYR  40           HE1      TYR  40  -6.490   0.849   3.946
  292    HH   TYR  40           HH       TYR  40  -7.674  -1.129   4.532
  293    H    ASP  41           HN       ASP  41  -9.417   6.229   2.532
  294    HA   ASP  41           HA       ASP  41  -9.782   8.254   0.451
  295    HB2  ASP  41           HB2      ASP  41  -9.334   8.692   3.410
  296    HB3  ASP  41           HB1      ASP  41  -9.852   9.885   2.235
  297    H    SER  42           HN       SER  42  -7.530   8.031   3.211
  298    HA   SER  42           HA       SER  42  -5.181   8.378   1.605
  299    HB2  SER  42           HB2      SER  42  -6.164  10.637   1.390
  300    HB3  SER  42           HB1      SER  42  -6.179  10.783   3.150
  301    H    LEU  43           HN       LEU  43  -6.624   9.148   4.721
  302    HA   LEU  43           HA       LEU  43  -4.366   9.034   6.339
  303    HB2  LEU  43           HB2      LEU  43  -7.226   8.413   7.055
  304    HB3  LEU  43           HB1      LEU  43  -5.954   8.832   8.190
  305    HG   LEU  43           HG       LEU  43  -6.952  10.671   6.012
  306   HD11  LEU  43          HD11      LEU  43  -7.556  10.663   8.949
  307   HD12  LEU  43          HD12      LEU  43  -8.694  10.292   7.636
  308   HD13  LEU  43          HD13      LEU  43  -7.996  11.914   7.783
  309   HD21  LEU  43          HD21      LEU  43  -5.735  12.379   7.246
  310   HD22  LEU  43          HD22      LEU  43  -4.664  11.094   6.688
  311   HD23  LEU  43          HD23      LEU  43  -5.165  11.154   8.378
  312    H    ALA  44           HN       ALA  44  -6.678   6.528   5.497
  313    HA   ALA  44           HA       ALA  44  -5.533   4.477   7.084
  314    HB1  ALA  44           HB1      ALA  44  -6.911   2.954   5.746
  315    HB2  ALA  44           HB2      ALA  44  -7.241   4.256   4.601
  316    HB3  ALA  44           HB3      ALA  44  -7.835   4.366   6.259
  317    H    LEU  45           HN       LEU  45  -4.906   5.716   3.902
  318    HA   LEU  45           HA       LEU  45  -3.331   3.520   3.034
  319    HB2  LEU  45           HB2      LEU  45  -3.480   6.365   2.033
  320    HB3  LEU  45           HB1      LEU  45  -2.585   5.085   1.237
  321    HG   LEU  45           HG       LEU  45  -5.573   5.102   1.668
  322   HD11  LEU  45          HD11      LEU  45  -5.704   5.452  -0.746
  323   HD12  LEU  45          HD12      LEU  45  -3.944   5.571  -0.824
  324   HD13  LEU  45          HD13      LEU  45  -4.873   6.789   0.048
  325   HD21  LEU  45          HD21      LEU  45  -4.630   2.864   1.640
  326   HD22  LEU  45          HD22      LEU  45  -3.788   3.228   0.131
  327   HD23  LEU  45          HD23      LEU  45  -5.548   3.178   0.168
  328    H    MET  46           HN       MET  46  -2.716   6.550   4.680
  329    HA   MET  46           HA       MET  46   0.120   6.458   4.618
  330    HB2  MET  46           HB2      MET  46  -1.597   7.618   6.824
  331    HB3  MET  46           HB1      MET  46   0.090   7.975   6.527
  332    HG2  MET  46           HG2      MET  46  -0.539   9.098   4.416
  333    HG3  MET  46           HG1      MET  46  -2.237   8.748   4.763
  334    HE1  MET  46           HE1      MET  46  -1.834   9.058   8.074
  335    HE2  MET  46           HE2      MET  46  -3.309   9.518   7.218
  336    HE3  MET  46           HE3      MET  46  -2.505  10.678   8.276
  337    H    GLU  47           HN       GLU  47  -2.295   5.284   6.896
  338    HA   GLU  47           HA       GLU  47  -0.535   4.143   8.759
  339    HB2  GLU  47           HB2      GLU  47  -2.878   4.569   9.265
  340    HB3  GLU  47           HB1      GLU  47  -3.378   3.401   8.056
  341    HG2  GLU  47           HG2      GLU  47  -2.449   1.599   9.353
  342    HG3  GLU  47           HG1      GLU  47  -1.800   2.746  10.529
  343    H    THR  48           HN       THR  48  -2.063   2.832   5.889
  344    HA   THR  48           HA       THR  48  -1.127   0.203   5.982
  345    HB   THR  48           HB       THR  48  -1.499   1.981   3.541
  346    HG1  THR  48           HG1      THR  48  -3.411   1.777   4.891
  347   HG21  THR  48          HG21      THR  48  -1.881  -0.129   2.324
  348   HG22  THR  48          HG22      THR  48  -1.527  -1.037   3.794
  349   HG23  THR  48          HG23      THR  48  -0.263  -0.076   3.025
  350    H    ALA  49           HN       ALA  49   0.308   3.093   4.440
  351    HA   ALA  49           HA       ALA  49   2.696   1.948   3.603
  352    HB1  ALA  49           HB1      ALA  49   2.219   4.820   4.398
  353    HB2  ALA  49           HB2      ALA  49   1.881   4.117   2.814
  354    HB3  ALA  49           HB3      ALA  49   3.541   4.214   3.394
  355    H    ALA  50           HN       ALA  50   1.893   3.477   6.697
  356    HA   ALA  50           HA       ALA  50   4.434   3.438   7.865
  357    HB1  ALA  50           HB1      ALA  50   2.506   4.599   8.848
  358    HB2  ALA  50           HB2      ALA  50   3.282   3.527  10.018
  359    HB3  ALA  50           HB3      ALA  50   1.775   3.042   9.240
  360    H    ARG  51           HN       ARG  51   1.934   0.955   7.817
  361    HA   ARG  51           HA       ARG  51   3.281  -1.017   9.335
  362    HB2  ARG  51           HB2      ARG  51   1.164  -1.223   7.192
  363    HB3  ARG  51           HB1      ARG  51   1.778  -2.627   8.047
  364    HG2  ARG  51           HG2      ARG  51   0.564  -0.281   9.487
  365    HG3  ARG  51           HG1      ARG  51  -0.402  -1.620   8.866
  366    HD2  ARG  51           HD2      ARG  51   0.142  -1.938  11.231
  367    HD3  ARG  51           HD1      ARG  51   0.856  -3.195  10.228
  368    HE   ARG  51           HE       ARG  51   2.343  -0.889  11.287
  369   HH11  ARG  51          HH11      ARG  51   2.103  -4.366  10.588
  370   HH12  ARG  51          HH12      ARG  51   3.671  -4.745  11.152
  371   HH21  ARG  51          HH21      ARG  51   4.507  -1.417  12.066
  372   HH22  ARG  51          HH22      ARG  51   5.065  -3.040  12.011
  373    H    LEU  52           HN       LEU  52   3.092  -0.416   5.921
  374    HA   LEU  52           HA       LEU  52   4.745  -2.447   4.969
  375    HB2  LEU  52           HB2      LEU  52   4.193   0.310   3.901
  376    HB3  LEU  52           HB1      LEU  52   5.058  -0.926   3.003
  377    HG   LEU  52           HG       LEU  52   2.279  -1.421   4.040
  378   HD11  LEU  52          HD11      LEU  52   3.058  -0.209   1.397
  379   HD12  LEU  52          HD12      LEU  52   2.167   0.598   2.690
  380   HD13  LEU  52          HD13      LEU  52   1.446  -0.769   1.840
  381   HD21  LEU  52          HD21      LEU  52   3.587  -3.348   3.318
  382   HD22  LEU  52          HD22      LEU  52   3.890  -2.573   1.763
  383   HD23  LEU  52          HD23      LEU  52   2.250  -3.044   2.209
  384    H    GLU  53           HN       GLU  53   5.566   0.851   6.015
  385    HA   GLU  53           HA       GLU  53   8.265   0.834   5.378
  386    HB2  GLU  53           HB2      GLU  53   6.970   2.130   7.770
  387    HB3  GLU  53           HB1      GLU  53   8.608   2.422   7.246
  388    HG2  GLU  53           HG2      GLU  53   7.699   3.348   5.152
  389    HG3  GLU  53           HG1      GLU  53   6.076   3.164   5.841
  390    H    SER  54           HN       SER  54   6.725   0.201   8.475
  391    HA   SER  54           HA       SER  54   9.015  -0.328   9.928
  392    HB2  SER  54           HB2      SER  54   6.836   0.291  10.890
  393    HB3  SER  54           HB1      SER  54   6.211  -1.297  10.461
  394    HG   SER  54           HG       SER  54   8.332  -0.697  12.222
  395    H    ARG  55           HN       ARG  55   6.914  -2.570   8.175
  396    HA   ARG  55           HA       ARG  55   8.323  -4.820   9.247
  397    HB2  ARG  55           HB2      ARG  55   5.986  -5.082   8.767
  398    HB3  ARG  55           HB1      ARG  55   6.238  -4.666   7.078
  399    HG2  ARG  55           HG2      ARG  55   7.509  -6.693   6.723
  400    HG3  ARG  55           HG1      ARG  55   7.402  -7.088   8.439
  401    HD2  ARG  55           HD2      ARG  55   5.052  -6.824   6.571
  402    HD3  ARG  55           HD1      ARG  55   5.792  -8.350   7.056
  403    HE   ARG  55           HE       ARG  55   5.132  -7.843   9.329
  404   HH11  ARG  55          HH11      ARG  55   3.475  -6.035   6.752
  405   HH12  ARG  55          HH12      ARG  55   2.106  -5.714   7.743
  406   HH21  ARG  55          HH21      ARG  55   3.218  -7.391  10.595
  407   HH22  ARG  55          HH22      ARG  55   1.946  -6.487   9.897
  408    H    TYR  56           HN       TYR  56   8.201  -3.304   6.010
  409    HA   TYR  56           HA       TYR  56  10.067  -5.321   5.101
  410    HB2  TYR  56           HB2      TYR  56   8.750  -3.090   3.541
  411    HB3  TYR  56           HB1      TYR  56   9.709  -4.401   2.847
  412    HD1  TYR  56           HD2      TYR  56   8.899  -6.772   3.137
  413    HD2  TYR  56           HD1      TYR  56   6.453  -3.418   4.034
  414    HE1  TYR  56           HE2      TYR  56   6.928  -8.186   2.944
  415    HE2  TYR  56           HE1      TYR  56   4.450  -4.822   3.834
  416    HH   TYR  56           HH       TYR  56   4.550  -8.226   3.688
  417    H    GLY  57           HN       GLY  57  10.313  -2.253   6.422
  418    HA2  GLY  57           HA2      GLY  57  12.359  -1.363   7.107
  419    HA3  GLY  57           HA1      GLY  57  13.170  -2.346   5.898
  420    H    VAL  58           HN       VAL  58  10.458  -0.650   4.820
  421    HA   VAL  58           HA       VAL  58  12.207   1.158   3.341
  422    HB   VAL  58           HB       VAL  58  10.254   1.694   1.911
  423   HG11  VAL  58          HG11      VAL  58  10.025  -0.440   0.801
  424   HG12  VAL  58          HG12      VAL  58  10.692  -1.251   2.213
  425   HG13  VAL  58          HG13      VAL  58  11.704  -0.138   1.268
  426   HG21  VAL  58          HG21      VAL  58   8.462   1.367   3.535
  427   HG22  VAL  58          HG22      VAL  58   8.799  -0.368   3.553
  428   HG23  VAL  58          HG23      VAL  58   8.191   0.392   2.085
  429    H    SER  59           HN       SER  59  11.133   3.384   2.914
  430    HA   SER  59           HA       SER  59   9.511   4.189   5.161
  431    HB2  SER  59           HB2      SER  59  11.907   4.811   5.690
  432    HB3  SER  59           HB1      SER  59  11.873   5.871   4.279
  433    HG   SER  59           HG       SER  59   9.818   6.074   6.157
  434    H    ILE  60           HN       ILE  60   7.860   5.175   4.545
  435    HA   ILE  60           HA       ILE  60   7.747   6.552   1.957
  436    HB   ILE  60           HB       ILE  60   5.620   4.706   3.111
  437   HG12  ILE  60          HG12      ILE  60   7.287   4.396   0.600
  438   HG13  ILE  60          HG11      ILE  60   7.558   3.520   2.102
  439   HG21  ILE  60          HG21      ILE  60   4.623   6.619   1.971
  440   HG22  ILE  60          HG22      ILE  60   4.374   5.145   1.033
  441   HG23  ILE  60          HG23      ILE  60   5.609   6.303   0.544
  442   HD11  ILE  60          HD11      ILE  60   5.373   2.460   1.863
  443   HD12  ILE  60          HD12      ILE  60   6.421   2.159   0.476
  444   HD13  ILE  60          HD13      ILE  60   5.116   3.346   0.355
  445    HA   PRO  61           HA       PRO  61   6.419   9.668   4.922
  446    HB2  PRO  61           HB2      PRO  61   5.865  11.202   2.459
  447    HB3  PRO  61           HB1      PRO  61   6.919  11.608   3.819
  448    HG2  PRO  61           HG2      PRO  61   7.918  10.898   1.443
  449    HG3  PRO  61           HG1      PRO  61   8.703  10.425   2.962
  450    HD2  PRO  61           HD2      PRO  61   6.972   8.811   1.134
  451    HD3  PRO  61           HD1      PRO  61   8.445   8.330   2.005
  452    H    ASP  62           HN       ASP  62   4.472  10.134   5.734
  453    HA   ASP  62           HA       ASP  62   2.108   8.899   5.034
  454    HB2  ASP  62           HB2      ASP  62   2.486  11.511   6.530
  455    HB3  ASP  62           HB1      ASP  62   0.971  10.633   6.456
  456    H    ASP  63           HN       ASP  63   3.193  12.132   4.231
  457    HA   ASP  63           HA       ASP  63   0.987  13.266   3.018
  458    HB2  ASP  63           HB2      ASP  63   3.883  13.670   2.278
  459    HB3  ASP  63           HB1      ASP  63   2.559  14.774   1.939
  460    H    VAL  64           HN       VAL  64   3.041  10.807   1.753
  461    HA   VAL  64           HA       VAL  64   2.481  11.379  -1.044
  462    HB   VAL  64           HB       VAL  64   3.933   9.115   0.277
  463   HG11  VAL  64          HG11      VAL  64   3.950   9.980  -2.640
  464   HG12  VAL  64          HG12      VAL  64   3.230   8.500  -2.002
  465   HG13  VAL  64          HG13      VAL  64   4.978   8.716  -1.963
  466   HG21  VAL  64          HG21      VAL  64   6.006  10.284  -0.413
  467   HG22  VAL  64          HG22      VAL  64   5.038  11.191   0.746
  468   HG23  VAL  64          HG23      VAL  64   5.019  11.638  -0.961
  469    H    ALA  65           HN       ALA  65   1.101   9.543   1.479
  470    HA   ALA  65           HA       ALA  65   0.408   7.233   0.031
  471    HB1  ALA  65           HB1      ALA  65  -0.800   8.220   2.584
  472    HB2  ALA  65           HB2      ALA  65   0.681   7.273   2.441
  473    HB3  ALA  65           HB3      ALA  65  -0.864   6.578   1.943
  474    H    GLY  66           HN       GLY  66  -1.233  10.289   0.240
  475    HA2  GLY  66           HA2      GLY  66  -3.728   9.090  -0.655
  476    HA3  GLY  66           HA1      GLY  66  -3.448  10.792  -0.313
  477    H    ARG  67           HN       ARG  67  -0.932   9.816  -2.165
  478    HA   ARG  67           HA       ARG  67  -2.050  11.114  -4.526
  479    HB2  ARG  67           HB2      ARG  67   0.742  10.095  -4.021
  480    HB3  ARG  67           HB1      ARG  67   0.233  11.107  -5.363
  481    HG2  ARG  67           HG2      ARG  67  -0.242  12.929  -3.837
  482    HG3  ARG  67           HG1      ARG  67   0.183  11.901  -2.461
  483    HD2  ARG  67           HD2      ARG  67   2.437  11.626  -3.428
  484    HD3  ARG  67           HD1      ARG  67   1.997  12.756  -4.703
  485    HE   ARG  67           HE       ARG  67   1.499  14.155  -2.465
  486   HH11  ARG  67          HH11      ARG  67   4.342  12.395  -3.698
  487   HH12  ARG  67          HH12      ARG  67   5.478  13.314  -2.852
  488   HH21  ARG  67          HH21      ARG  67   3.108  15.441  -1.234
  489   HH22  ARG  67          HH22      ARG  67   4.766  15.111  -1.480
  490    H    VAL  68           HN       VAL  68  -1.063   7.999  -3.414
  491    HA   VAL  68           HA       VAL  68  -0.630   6.773  -5.898
  492    HB   VAL  68           HB       VAL  68  -0.797   4.597  -4.690
  493   HG11  VAL  68          HG11      VAL  68   0.873   6.712  -3.345
  494   HG12  VAL  68          HG12      VAL  68   1.307   5.793  -4.784
  495   HG13  VAL  68          HG13      VAL  68   1.138   4.972  -3.229
  496   HG21  VAL  68          HG21      VAL  68  -2.520   5.178  -3.053
  497   HG22  VAL  68          HG22      VAL  68  -1.422   6.326  -2.290
  498   HG23  VAL  68          HG23      VAL  68  -1.062   4.597  -2.249
  499    H    ASP  69           HN       ASP  69  -1.875   6.324  -7.383
  500    HA   ASP  69           HA       ASP  69  -4.694   6.628  -7.279
  501    HB2  ASP  69           HB2      ASP  69  -3.028   5.416  -9.502
  502    HB3  ASP  69           HB1      ASP  69  -4.654   6.070  -9.642
  503    H    THR  70           HN       THR  70  -2.711   3.816  -8.178
  504    HA   THR  70           HA       THR  70  -4.916   2.054  -7.390
  505    HB   THR  70           HB       THR  70  -3.738   0.420  -8.864
  506    HG1  THR  70           HG1      THR  70  -2.331   2.399 -10.191
  507   HG21  THR  70          HG21      THR  70  -5.634   1.726  -9.730
  508   HG22  THR  70          HG22      THR  70  -4.436   1.447 -10.993
  509   HG23  THR  70          HG23      THR  70  -4.532   3.021 -10.199
  510    HA   PRO  71           HA       PRO  71  -2.212   0.108  -4.341
  511    HB2  PRO  71           HB2      PRO  71  -2.960  -2.488  -5.604
  512    HB3  PRO  71           HB1      PRO  71  -3.082  -1.995  -3.910
  513    HG2  PRO  71           HG2      PRO  71  -5.265  -2.142  -5.380
  514    HG3  PRO  71           HG1      PRO  71  -5.033  -0.770  -4.275
  515    HD2  PRO  71           HD2      PRO  71  -4.634  -0.895  -7.244
  516    HD3  PRO  71           HD1      PRO  71  -5.426   0.364  -6.270
  517    H    ARG  72           HN       ARG  72  -2.071  -0.714  -7.735
  518    HA   ARG  72           HA       ARG  72   0.477  -1.942  -7.699
  519    HB2  ARG  72           HB2      ARG  72  -0.756  -2.393  -9.646
  520    HB3  ARG  72           HB1      ARG  72  -1.176  -0.703  -9.885
  521    HG2  ARG  72           HG2      ARG  72   0.969  -0.183 -10.728
  522    HG3  ARG  72           HG1      ARG  72   1.653  -1.695 -10.140
  523    HD2  ARG  72           HD2      ARG  72  -0.521  -1.591 -12.209
  524    HD3  ARG  72           HD1      ARG  72   1.196  -1.540 -12.625
  525    HE   ARG  72           HE       ARG  72   1.122  -3.660 -11.062
  526   HH11  ARG  72          HH11      ARG  72  -1.107  -2.808 -13.720
  527   HH12  ARG  72          HH12      ARG  72  -1.250  -4.405 -14.292
  528   HH21  ARG  72          HH21      ARG  72   0.854  -5.873 -11.808
  529   HH22  ARG  72          HH22      ARG  72  -0.198  -6.200 -13.118
  530    H    GLU  73           HN       GLU  73  -0.576   1.392  -8.125
  531    HA   GLU  73           HA       GLU  73   1.958   2.506  -8.612
  532    HB2  GLU  73           HB2      GLU  73  -0.231   3.698  -8.888
  533    HB3  GLU  73           HB1      GLU  73  -0.371   3.767  -7.138
  534    HG2  GLU  73           HG2      GLU  73   0.396   5.879  -7.891
  535    HG3  GLU  73           HG1      GLU  73   1.744   5.074  -7.091
  536    H    LEU  74           HN       LEU  74   0.162   1.927  -5.649
  537    HA   LEU  74           HA       LEU  74   2.033   2.977  -3.826
  538    HB2  LEU  74           HB2      LEU  74  -0.408   2.501  -3.410
  539    HB3  LEU  74           HB1      LEU  74  -0.034   0.800  -3.375
  540    HG   LEU  74           HG       LEU  74  -0.452   1.820  -1.145
  541   HD11  LEU  74          HD11      LEU  74   0.825  -0.206  -1.252
  542   HD12  LEU  74          HD12      LEU  74   1.426   0.838   0.039
  543   HD13  LEU  74          HD13      LEU  74   2.311   0.716  -1.484
  544   HD21  LEU  74          HD21      LEU  74   1.276   3.225  -0.115
  545   HD22  LEU  74          HD22      LEU  74   0.503   4.006  -1.493
  546   HD23  LEU  74          HD23      LEU  74   2.112   3.312  -1.667
  547    H    LEU  75           HN       LEU  75   1.533  -0.316  -5.048
  548    HA   LEU  75           HA       LEU  75   3.502  -1.622  -3.537
  549    HB2  LEU  75           HB2      LEU  75   1.693  -2.754  -4.771
  550    HB3  LEU  75           HB1      LEU  75   2.429  -2.283  -6.285
  551    HG   LEU  75           HG       LEU  75   4.380  -3.714  -5.755
  552   HD11  LEU  75          HD11      LEU  75   4.252  -5.306  -3.935
  553   HD12  LEU  75          HD12      LEU  75   2.739  -4.580  -3.383
  554   HD13  LEU  75          HD13      LEU  75   4.242  -3.652  -3.332
  555   HD21  LEU  75          HD21      LEU  75   2.549  -4.577  -7.114
  556   HD22  LEU  75          HD22      LEU  75   1.714  -5.115  -5.655
  557   HD23  LEU  75          HD23      LEU  75   3.253  -5.845  -6.108
  558    H    ASP  76           HN       ASP  76   3.627  -0.228  -6.791
  559    HA   ASP  76           HA       ASP  76   6.240  -0.893  -7.501
  560    HB2  ASP  76           HB2      ASP  76   4.631  -0.013  -9.100
  561    HB3  ASP  76           HB1      ASP  76   4.609   1.530  -8.263
  562    H    LEU  77           HN       LEU  77   5.021   1.856  -5.718
  563    HA   LEU  77           HA       LEU  77   7.346   3.360  -5.414
  564    HB2  LEU  77           HB2      LEU  77   5.137   4.157  -4.780
  565    HB3  LEU  77           HB1      LEU  77   5.016   2.934  -3.538
  566    HG   LEU  77           HG       LEU  77   6.845   4.061  -2.297
  567   HD11  LEU  77          HD11      LEU  77   7.975   5.135  -4.168
  568   HD12  LEU  77          HD12      LEU  77   7.521   6.313  -2.938
  569   HD13  LEU  77          HD13      LEU  77   6.577   6.182  -4.423
  570   HD21  LEU  77          HD21      LEU  77   5.498   5.971  -1.562
  571   HD22  LEU  77          HD22      LEU  77   4.512   4.529  -1.773
  572   HD23  LEU  77          HD23      LEU  77   4.478   5.804  -2.989
  573    H    ILE  78           HN       ILE  78   6.090   0.683  -3.479
  574    HA   ILE  78           HA       ILE  78   8.168   0.716  -1.529
  575    HB   ILE  78           HB       ILE  78   6.394  -1.635  -2.232
  576   HG12  ILE  78          HG12      ILE  78   5.909   0.640  -0.312
  577   HG13  ILE  78          HG11      ILE  78   5.044   0.365  -1.822
  578   HG21  ILE  78          HG21      ILE  78   6.790  -2.254   0.121
  579   HG22  ILE  78          HG22      ILE  78   7.828  -0.843   0.321
  580   HG23  ILE  78          HG23      ILE  78   8.308  -2.143  -0.770
  581   HD11  ILE  78          HD11      ILE  78   5.067  -1.401   0.588
  582   HD12  ILE  78          HD12      ILE  78   4.205  -1.751  -0.918
  583   HD13  ILE  78          HD13      ILE  78   3.751  -0.355   0.075
  584    H    ASN  79           HN       ASN  79   7.457  -1.493  -4.257
  585    HA   ASN  79           HA       ASN  79   9.734  -3.111  -4.031
  586    HB2  ASN  79           HB2      ASN  79   8.245  -2.341  -6.559
  587    HB3  ASN  79           HB1      ASN  79   9.509  -3.555  -6.508
  588   HD21  ASN  79          HD21      ASN  79   9.021  -5.590  -5.663
  589   HD22  ASN  79          HD22      ASN  79   7.393  -6.054  -5.313
  590    H    GLY  80           HN       GLY  80   9.354   0.006  -5.598
  591    HA2  GLY  80           HA2      GLY  80  11.879   0.182  -6.803
  592    HA3  GLY  80           HA1      GLY  80  10.899   1.548  -6.278
  593    H    ALA  81           HN       ALA  81  10.792   1.345  -3.620
  594    HA   ALA  81           HA       ALA  81  13.330   2.245  -2.764
  595    HB1  ALA  81           HB1      ALA  81  10.958   1.395  -1.092
  596    HB2  ALA  81           HB2      ALA  81  11.221   3.004  -1.756
  597    HB3  ALA  81           HB3      ALA  81  12.322   2.364  -0.535
  598    H    LEU  82           HN       LEU  82  11.709  -0.833  -2.510
  599    HA   LEU  82           HA       LEU  82  13.525  -2.057  -0.738
  600    HB2  LEU  82           HB2      LEU  82  11.436  -3.124  -2.581
  601    HB3  LEU  82           HB1      LEU  82  12.511  -4.215  -1.729
  602    HG   LEU  82           HG       LEU  82  10.689  -2.211  -0.387
  603   HD11  LEU  82          HD11      LEU  82   9.429  -3.977  -1.511
  604   HD12  LEU  82          HD12      LEU  82   9.369  -4.170   0.244
  605   HD13  LEU  82          HD13      LEU  82  10.430  -5.194  -0.724
  606   HD21  LEU  82          HD21      LEU  82  11.257  -3.453   1.641
  607   HD22  LEU  82          HD22      LEU  82  12.696  -2.749   0.902
  608   HD23  LEU  82          HD23      LEU  82  12.361  -4.469   0.715
  609    H    ALA  83           HN       ALA  83  13.952  -1.205  -3.954
  610    HA   ALA  83           HA       ALA  83  15.670  -3.378  -4.706
  611    HB1  ALA  83           HB1      ALA  83  16.230  -2.014  -6.659
  612    HB2  ALA  83           HB2      ALA  83  15.406  -0.629  -5.939
  613    HB3  ALA  83           HB3      ALA  83  14.483  -2.058  -6.406
  614    H    GLU  84           HN       GLU  84  15.993  -0.690  -2.723
  615    HA   GLU  84           HA       GLU  84  18.905  -0.581  -2.986
  616    HB2  GLU  84           HB2      GLU  84  17.549   1.520  -2.982
  617    HB3  GLU  84           HB1      GLU  84  16.993   1.126  -1.369
  618    HG2  GLU  84           HG2      GLU  84  18.739   2.816  -1.325
  619    HG3  GLU  84           HG1      GLU  84  19.266   1.337  -0.524
  620    H    ALA  85           HN       ALA  85  16.668  -2.388  -1.479
  621    HA   ALA  85           HA       ALA  85  17.898  -2.402   1.155
  622    HB1  ALA  85           HB1      ALA  85  15.422  -3.791   0.144
  623    HB2  ALA  85           HB2      ALA  85  15.464  -2.274   1.043
  624    HB3  ALA  85           HB3      ALA  85  15.993  -3.771   1.813
  625    H    ALA  86           HN       ALA  86  19.588  -3.659   1.311
  626    HA   ALA  86           HA       ALA  86  19.719  -6.134  -0.215
  627    HB1  ALA  86           HB1      ALA  86  21.660  -4.646  -0.358
  628    HB2  ALA  86           HB2      ALA  86  22.081  -6.166   0.429
  629    HB3  ALA  86           HB3      ALA  86  21.838  -4.711   1.395
  630    H28  SXV  87          H28A      SXV  87  -3.839  12.167   4.602
  631   H28A  SXV  87          H28B      SXV  87  -2.437  12.898   3.859
  632    H30  SXV  87          H30C      SXV  87  -2.718  13.244   6.661
  633   H30A  SXV  87          H30A      SXV  87  -2.558  15.001   6.713
  634   H30B  SXV  87          H30B      SXV  87  -1.598  14.058   5.574
  635    H31  SXV  87          H31C      SXV  87  -4.153  15.602   3.440
  636   H31A  SXV  87          H31A      SXV  87  -2.432  15.532   3.824
  637   H31B  SXV  87          H31B      SXV  87  -3.543  16.400   4.896
  638    H32  SXV  87          H32A      SXV  87  -5.286  13.332   6.210
  639   HO33  SXV  87          H33A      SXV  87  -6.536  15.203   4.916
  640   HN36  SXV  87          H36A      SXV  87  -4.110  14.805   8.027
  641    H37  SXV  87          H37B      SXV  87  -5.742  16.246   9.447
  642   H37A  SXV  87          H37A      SXV  87  -5.323  17.464   8.253
  643    H38  SXV  87          H38B      SXV  87  -2.982  17.325   8.913
  644   H38A  SXV  87          H38A      SXV  87  -3.375  16.015  10.037
  645   HN41  SXV  87          H41A      SXV  87  -2.087  17.969  11.090
  646    H42  SXV  87          H42B      SXV  87  -3.310  18.755  13.337
  647   H42A  SXV  87          H42A      SXV  87  -3.713  20.070  12.251
  648    H43  SXV  87          H43B      SXV  87  -0.935  19.049  12.738
  649   H43A  SXV  87          H43A      SXV  87  -1.347  20.554  11.949
  650    H1   SXV  87           H1B      SXV  87   0.815  20.400  14.068
  651    H1A  SXV  87           H1A      SXV  87   0.291  22.007  13.536
  652    H2   SXV  87           H2A      SXV  87   1.733  22.106  15.464
  653    H2A  SXV  87           H2B      SXV  87   0.532  21.230  16.414
  654    H4   SXV  87           H4C      SXV  87   1.644  24.390  16.565
  655    H4A  SXV  87           H4A      SXV  87   0.198  25.325  16.166
  656    H4B  SXV  87           H4B      SXV  87   1.183  24.627  14.873