*HEADER    BIOSYNTHETIC PROTEIN                    07-MAR-09   2KGA              
*TITLE     NMR SOLUTION STRUCTURES OF HEXANOYL ACP (A NON NATURAL                
*TITLE    2 INTERMEDIATE) 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, FATTY ACID, POLYKETIDE, HEXANOYL, CONFORMATIONAL                 
*KEYWDS   2 CHANGE, ANTIBIOTIC BIOSYNTHESIS, PHOSPHOPANTETHEINE,                 
*KEYWDS   3 BIOSYNTHETIC PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS                                      
*REVDAT   1   14-APR-09 2KGA    0                                                


 ASSI {    1}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      2.900     1.100     1.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.34681E-02 ppm1      0.906 ppm2      0.706 CV     1
 ASSI {    3}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.45197E-02 ppm1      0.801 ppm2      1.059 CV     1
 ASSI {    4}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      4.200     2.200     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.52107E-03 ppm1      0.797 ppm2      1.155 CV     1
 ASSI {    5}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.200     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.59403E-02 ppm1      0.801 ppm2      1.252 CV     1
 ASSI {    6}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.19140E-02 ppm1      0.803 ppm2      1.434 CV     1
 ASSI {    8}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.100     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.79940E-02 ppm1      0.801 ppm2      1.744 CV     1
 ASSI {    9}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.000     0.500     0.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.11106E-01 ppm1      0.861 ppm2      1.127 CV     1
 ASSI {   13}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      3.600     1.600     1.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.15310E-02 ppm1      0.860 ppm2      1.273 CV     1
 ASSI {   16}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.45582E-02 ppm1      0.801 ppm2      1.928 CV     1
 ASSI {   18}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.000     1.100     1.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.13245E-02 ppm1      0.802 ppm2      2.218 CV     1
 ASSI {   19}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.400     1.400     1.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.95181E-03 ppm1      0.861 ppm2      2.365 CV     1
 ASSI {   20}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.80373E-03 ppm1      0.801 ppm2      2.353 CV     1
 ASSI {   21}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.88184E-03 ppm1      0.862 ppm2      2.738 CV     1
 ASSI {   22}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.65284E-03 ppm1      0.804 ppm2      2.727 CV     1
 ASSI {   23}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      4.000     2.000     2.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.98113E-03 ppm1      0.860 ppm2      3.750 CV     1
 ASSI {   24}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.27368E-02 ppm1      0.801 ppm2      3.748 CV     1
 ASSI {   25}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD2 ))
      5.600     3.900     0.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.34285E-03 ppm1      0.865 ppm2      3.567 CV     1
 ASSI {   26}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.41435E-03 ppm1      0.805 ppm2      4.132 CV     1
 ASSI {   29}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      4.500     2.600     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.46300E-03 ppm1      0.861 ppm2      4.138 CV     1
 ASSI {   32}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.600     2.600     3.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.15028E-02 ppm1      0.800 ppm2      3.897 CV     1
 ASSI {   35}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.14231E-02 ppm1      0.801 ppm2      8.349 CV     1
 ASSI {   40}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.13347E-02 ppm1      0.907 ppm2      7.312 CV     1
 ASSI {   41}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.600     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.25392E-02 ppm1      0.907 ppm2      7.191 CV     1
 ASSI {   42}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      0.907 ppm2      7.718 CV     1
 ASSI {   44}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.30061E-02 ppm1      0.907 ppm2      4.375 CV     1
 ASSI {   45}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      4.900     3.000     1.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.76042E-03 ppm1      0.908 ppm2      4.557 CV     1
 ASSI {   46}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.53758E-03 ppm1      0.908 ppm2      3.311 CV     1
 ASSI {   48}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.45083E-02 ppm1      0.907 ppm2      2.406 CV     1
 ASSI {   49}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.600     0.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.66118E-02 ppm1      0.907 ppm2      1.838 CV     1
 ASSI {   51}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.59570E-02 ppm1      0.907 ppm2      1.510 CV     1
 ASSI {   53}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.600     0.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.10027E-01 ppm1      0.909 ppm2      1.031 CV     1
 ASSI {   54}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      2.400     0.700     0.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.69166E-02 ppm1      0.885 ppm2      0.611 CV     1
 OR {   54}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {   56}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
      2.200     0.600     0.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.95447E-02 ppm1      0.884 ppm2      0.776 CV     1
 ASSI {   59}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      4.000     2.000     2.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.98802E-03 ppm1      0.884 ppm2      1.447 CV     1
 ASSI {   60}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.100     1.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.17025E-02 ppm1      0.884 ppm2      1.392 CV     1
 ASSI {   61}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      3.200     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.38210E-02 ppm1      0.884 ppm2      1.243 CV     1
 ASSI {   66}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.72813E-02 ppm1      0.885 ppm2      1.924 CV     1
 ASSI {   67}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      2.600     0.800     0.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.33499E-02 ppm1      0.884 ppm2      1.761 CV     1
 ASSI {   71}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 65   and name HB% )
      3.300     1.300     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.14155E-02 ppm1      1.002 ppm2      1.455 CV     1
 ASSI {   74}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.19774E-02 ppm1      1.006 ppm2      2.241 CV     1
 ASSI {   75}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.700     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.97164E-03 ppm1      0.885 ppm2      2.115 CV     1
 ASSI {   81}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.38302E-02 ppm1      1.008 ppm2      3.571 CV     1
 ASSI {   82}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.42079E-02 ppm1      0.885 ppm2      3.753 CV     1
 ASSI {   83}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.000     2.000     2.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.51984E-03 ppm1      0.886 ppm2      3.451 CV     1
 ASSI {   85}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.57165E-03 ppm1      1.006 ppm2      4.110 CV     1
 ASSI {   86}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.25281E-02 ppm1      1.008 ppm2      4.022 CV     1
 ASSI {   87}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.100     2.100     1.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.98432E-03 ppm1      0.886 ppm2      3.894 CV     1
 ASSI {   90}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.40962E-02 ppm1      1.006 ppm2      4.572 CV     1
 ASSI {   91}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      0.885 ppm2      4.900 CV     1
 ASSI {   92}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      4.000     2.000     2.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.34023E-03 ppm1      0.883 ppm2      6.807 CV     1
 ASSI {   94}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.700     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.39812E-03 ppm1      1.008 ppm2      7.508 CV     1
 ASSI {   95}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.82820E-03 ppm1      1.007 ppm2      8.229 CV     1
 ASSI {   97}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.65122E-03 ppm1      0.883 ppm2      8.277 CV     1
 ASSI {   98}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.400     1.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.65842E-03 ppm1      1.006 ppm2      8.452 CV     1
 ASSI {   99}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.600     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.15348E-02 ppm1      0.884 ppm2      8.880 CV     1
 ASSI {  100}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.200     2.200     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.47117E-03 ppm1      0.885 ppm2      9.418 CV     1
 ASSI {  103}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.300     0.600     0.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.83342E-02 ppm1      1.554 ppm2      8.662 CV     1
 ASSI {  111}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.500     0.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17772E-01 ppm1      1.656 ppm2      4.280 CV     1
 ASSI {  113}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.11007E-01 ppm1      1.552 ppm2      3.938 CV     1
 ASSI {  115}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.55720E-03 ppm1      1.555 ppm2      2.737 CV     1
 ASSI {  116}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H2A ))
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.62315E-03 ppm1      1.555 ppm2      2.599 CV     1
 OR {  116}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H2B ))
 ASSI {  122}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.35359E-03 ppm1      1.561 ppm2      0.435 CV     1
 ASSI {  123}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.28337E-03 ppm1      1.554 ppm2      0.284 CV     1
 ASSI {  132}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.300     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10074E-01 ppm1      1.634 ppm2      7.629 CV     1
 ASSI {  133}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.12874E-01 ppm1      1.604 ppm2      7.959 CV     1
 ASSI {  134}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.28130E-02 ppm1      1.603 ppm2      7.801 CV     1
 ASSI {  135}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.300     2.400     1.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.87735E-03 ppm1      1.562 ppm2      7.864 CV     1
 ASSI {  137}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.40979E-02 ppm1      1.657 ppm2      8.375 CV     1
 ASSI {  138}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.46399E-02 ppm1      1.634 ppm2      8.261 CV     1
 ASSI {  140}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      4.500     2.600     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.49752E-03 ppm1      1.559 ppm2      8.268 CV     1
 ASSI {  141}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.300     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.77368E-02 ppm1      1.560 ppm2      8.170 CV     1
 ASSI {  144}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.000     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      1.558 ppm2      6.997 CV     1
 ASSI {  145}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      4.800     2.900     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.62320E-03 ppm1      1.660 ppm2      6.811 CV     1
 ASSI {  152}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      5.200     3.400     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.32865E-03 ppm1      1.049 ppm2      6.764 CV     1
 ASSI {  157}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      1.439 ppm2      4.230 CV     1
 ASSI {  158}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.19735E-02 ppm1      1.440 ppm2      4.466 CV     1
 ASSI {  159}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.400     1.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.17648E-02 ppm1      1.551 ppm2      4.100 CV     1
 ASSI {  161}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.20977E-02 ppm1      1.561 ppm2      4.602 CV     1
 ASSI {  163}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.600     0.600 peak   163 spectrum    1 weight  0.10000E+01 volume  0.98244E-02 ppm1      1.658 ppm2      4.374 CV     1
 ASSI {  164}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.15570E-01 ppm1      1.604 ppm2      4.288 CV     1
 ASSI {  165}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.700     0.900     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.27933E-02 ppm1      1.605 ppm2      4.028 CV     1
 ASSI {  170}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
      3.700     1.700     1.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.42800E-03 ppm1      1.661 ppm2      3.293 CV     1
 ASSI {  171}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HB1 ))
      3.600     1.600     1.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.25720E-03 ppm1      1.563 ppm2      3.276 CV     1
 ASSI {  173}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.61443E-03 ppm1      1.562 ppm2      2.959 CV     1
 ASSI {  175}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.36737E-02 ppm1      1.051 ppm2      2.397 CV     1
 ASSI {  181}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.600     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24199E-02 ppm1      1.051 ppm2      1.516 CV     1
 ASSI {  184}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.97925E-02 ppm1      1.654 ppm2      1.010 CV     1
 ASSI {  186}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.85690E-03 ppm1      1.659 ppm2      0.764 CV     1
 ASSI {  188}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD2%)
      4.000     2.000     2.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.64616E-03 ppm1      1.656 ppm2      0.611 CV     1
 OR {  188}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  189}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.500     1.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.52015E-03 ppm1      1.564 ppm2      0.279 CV     1
 ASSI {  191}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.20939E-02 ppm1      0.928 ppm2      8.465 CV     1
 ASSI {  193}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.72828E-02 ppm1      1.568 ppm2      7.864 CV     1
 ASSI {  196}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      1.481 ppm2      7.978 CV     1
 ASSI {  197}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12630E-02 ppm1      1.567 ppm2      7.981 CV     1
 ASSI {  199}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      4.300     2.300     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.66510E-03 ppm1      0.929 ppm2      8.059 CV     1
 ASSI {  201}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.51567E-03 ppm1      0.927 ppm2      8.260 CV     1
 ASSI {  203}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.73846E-03 ppm1      1.528 ppm2      6.996 CV     1
 ASSI {  204}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   204 spectrum    1 weight  0.10000E+01 volume  0.16481E-02 ppm1      1.529 ppm2      6.757 CV     1
 ASSI {  206}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.67178E-02 ppm1      1.653 ppm2      4.281 CV     1
 ASSI {  207}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.95431E-02 ppm1      1.567 ppm2      4.471 CV     1
 ASSI {  208}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.83279E-02 ppm1      1.526 ppm2      4.366 CV     1
 ASSI {  210}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.800     1.800     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.86467E-03 ppm1      0.927 ppm2      4.259 CV     1
 ASSI {  211}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.44825E-02 ppm1      0.927 ppm2      4.139 CV     1
 ASSI {  213}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      5.000     3.100     1.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.42754E-03 ppm1      0.931 ppm2      4.799 CV     1
 ASSI {  214}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.29524E-02 ppm1      0.927 ppm2      4.618 CV     1
 ASSI {  216}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.20718E-02 ppm1      1.531 ppm2      3.935 CV     1
 ASSI {  217}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      0.926 ppm2      3.456 CV     1
 ASSI {  219}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.15439E-02 ppm1      0.927 ppm2      2.834 CV     1
 ASSI {  220}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
      4.800     2.900     1.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1      0.931 ppm2      2.737 CV     1
 ASSI {  222}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.85074E-02 ppm1      0.927 ppm2      2.115 CV     1
 ASSI {  223}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 52   and name HB1 ))
      4.000     2.000     2.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.68487E-03 ppm1      0.927 ppm2      2.224 CV     1
 ASSI {  224}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.200     2.200     1.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.15946E-02 ppm1      0.927 ppm2      2.359 CV     1
 OR {  224}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  225}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      3.000     1.100     1.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.21590E-02 ppm1      0.926 ppm2      1.626 CV     1
 ASSI {  226}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.16843E-02 ppm1      0.929 ppm2      1.861 CV     1
 ASSI {  230}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      2.400     2.400     3.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.25424E-02 ppm1      1.569 ppm2      0.972 CV     1
 OR {  230}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  232}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      5.200     3.400     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.47204E-03 ppm1      1.126 ppm2      9.122 CV     1
 ASSI {  233}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.400     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.18307E-02 ppm1      0.987 ppm2      8.226 CV     1
 ASSI {  235}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      1.111 ppm2      8.663 CV     1
 ASSI {  238}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.51968E-02 ppm1      1.127 ppm2      7.659 CV     1
 ASSI {  239}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
      5.200     3.300     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.35826E-03 ppm1      1.127 ppm2      7.461 CV     1
 ASSI {  242}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.62821E-03 ppm1      1.112 ppm2      6.761 CV     1
 ASSI {  244}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.82867E-02 ppm1      1.113 ppm2      4.406 CV     1
 ASSI {  245}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.24152E-02 ppm1      1.123 ppm2      4.272 CV     1
 ASSI {  248}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.200     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.75437E-02 ppm1      1.125 ppm2      2.351 CV     1
 ASSI {  254}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.74331E-02 ppm1      1.112 ppm2      0.853 CV     1
 ASSI {  255}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.000     0.500     0.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.83191E-02 ppm1      1.112 ppm2      0.751 CV     1
 ASSI {  261}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.46526E-02 ppm1      1.409 ppm2      9.083 CV     1
 ASSI {  262}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.100     2.100     1.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.19539E-02 ppm1      1.409 ppm2      8.839 CV     1
 ASSI {  263}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.26786E-02 ppm1      1.378 ppm2      8.168 CV     1
 ASSI {  264}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak   264 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      1.238 ppm2      8.253 CV     1
 ASSI {  273}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.600     2.600     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.74801E-03 ppm1      1.409 ppm2      8.227 CV     1
 ASSI {  274}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.900     3.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.40636E-03 ppm1      1.411 ppm2      7.889 CV     1
 ASSI {  275}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 28   and name HN  ))
      4.100     2.100     1.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.89822E-03 ppm1      1.045 ppm2      8.543 CV     1
 ASSI {  277}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.56382E-02 ppm1      1.030 ppm2      7.496 CV     1
 ASSI {  279}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.20627E-02 ppm1      0.988 ppm2      7.499 CV     1
 ASSI {  283}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.92802E-02 ppm1      1.410 ppm2      4.844 CV     1
 ASSI {  284}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.19166E-02 ppm1      1.410 ppm2      4.551 CV     1
 ASSI {  288}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.50307E-02 ppm1      1.043 ppm2      4.714 CV     1
 ASSI {  290}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.49896E-02 ppm1      0.973 ppm2      4.623 CV     1
 ASSI {  291}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.19144E-02 ppm1      1.044 ppm2      5.047 CV     1
 ASSI {  292}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.40636E-02 ppm1      1.042 ppm2      4.898 CV     1
 ASSI {  294}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.500     0.800     0.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.57942E-02 ppm1      1.246 ppm2      4.207 CV     1
 ASSI {  297}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.43558E-02 ppm1      0.989 ppm2      3.936 CV     1
 ASSI {  298}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.10277E-02 ppm1      0.973 ppm2      4.132 CV     1
 ASSI {  302}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.600     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.16547E-02 ppm1      1.029 ppm2      3.573 CV     1
 ASSI {  304}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.000     2.000     2.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      0.973 ppm2      3.459 CV     1
 ASSI {  306}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      5.400     3.700     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.45889E-03 ppm1      1.412 ppm2      3.013 CV     1
 ASSI {  307}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.000     1.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.26090E-02 ppm1      1.042 ppm2      2.843 CV     1
 ASSI {  310}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.70632E-02 ppm1      0.989 ppm2      2.234 CV     1
 ASSI {  313}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      2.700     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.33421E-02 ppm1      1.383 ppm2      7.327 CV     1
 OR {  313}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  314}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.48907E-02 ppm1      1.384 ppm2      7.220 CV     1
 ASSI {  315}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.12005E-02 ppm1      0.893 ppm2      8.168 CV     1
 ASSI {  316}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.600     1.700     1.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      0.892 ppm2      7.962 CV     1
 ASSI {  317}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.13626E-02 ppm1      1.009 ppm2      8.489 CV     1
 ASSI {  318}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      0.992 ppm2      8.266 CV     1
 ASSI {  320}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      3.900     1.900     1.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.58146E-03 ppm1      0.435 ppm2      6.908 CV     1
 ASSI {  324}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.13540E-02 ppm1      1.114 ppm2      7.462 CV     1
 ASSI {  328}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      0.694 ppm2      7.316 CV     1
 OR {  328}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  332}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   332 spectrum    1 weight  0.10000E+01 volume  0.71033E-02 ppm1      1.123 ppm2      8.454 CV     1
 ASSI {  334}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.800     1.800     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.16836E-02 ppm1      1.112 ppm2      9.121 CV     1
 ASSI {  336}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.11880E-02 ppm1      0.748 ppm2      8.371 CV     1
 ASSI {  338}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak   338 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      0.954 ppm2      8.447 CV     1
 ASSI {  340}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.26640E-02 ppm1      1.114 ppm2      7.661 CV     1
 ASSI {  341}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.900     1.100     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.18968E-02 ppm1      1.113 ppm2      6.965 CV     1
 ASSI {  344}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.52735E-03 ppm1      0.693 ppm2      6.762 CV     1
 ASSI {  345}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.200     1.300     1.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10300E-02 ppm1      0.280 ppm2      7.186 CV     1
 ASSI {  349}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.42987E-02 ppm1      0.280 ppm2      3.939 CV     1
 ASSI {  350}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.53700E-03 ppm1      0.282 ppm2      3.518 CV     1
 ASSI {  355}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      2.400     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.99799E-02 ppm1      0.954 ppm2      4.339 CV     1
 ASSI {  356}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.71347E-03 ppm1      0.953 ppm2      4.724 CV     1
 ASSI {  357}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.54034E-02 ppm1      1.115 ppm2      4.454 CV     1
 ASSI {  358}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.56461E-02 ppm1      1.113 ppm2      4.270 CV     1
 ASSI {  362}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.82445E-02 ppm1      1.124 ppm2      3.933 CV     1
 ASSI {  363}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.600     0.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.85059E-02 ppm1      1.065 ppm2      4.272 CV     1
 OR {  363}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  364}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.59727E-03 ppm1      1.117 ppm2      4.106 CV     1
 ASSI {  366}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.17203E-02 ppm1      0.695 ppm2      3.306 CV     1
 ASSI {  371}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.59288E-02 ppm1      0.749 ppm2      1.848 CV     1
 ASSI {  372}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      3.200     1.300     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.29504E-02 ppm1      0.280 ppm2      1.633 CV     1
 ASSI {  373}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.72635E-02 ppm1      0.280 ppm2      1.491 CV     1
 OR {  373}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  375}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H5A ))
      3.700     1.700     1.700 peak   375 spectrum    1 weight  0.10000E+01 volume  0.11114E-02 ppm1      0.282 ppm2      1.260 CV     1
 OR {  375}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H5B ))
 OR {  375}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H4B ))
 OR {  375}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H4A ))
 ASSI {  377}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.49070E-02 ppm1      0.692 ppm2      1.577 CV     1
 ASSI {  379}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.39857E-02 ppm1      0.696 ppm2      1.260 CV     1
 ASSI {  380}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.46362E-02 ppm1      0.749 ppm2      1.436 CV     1
 ASSI {  381}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.44862E-02 ppm1      0.954 ppm2      1.420 CV     1
 ASSI {  382}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.200     0.600     0.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.11147E-01 ppm1      0.953 ppm2      1.775 CV     1
 OR {  382}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  384}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.600     0.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.88455E-02 ppm1      1.113 ppm2      2.349 CV     1
 ASSI {  388}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.36663E-02 ppm1      1.113 ppm2      1.681 CV     1
 ASSI {  389}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.600     0.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.10727E-01 ppm1      1.064 ppm2      1.692 CV     1
 OR {  389}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  390}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.700     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.62523E-03 ppm1      1.067 ppm2      7.816 CV     1
 OR {  390}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  391}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      4.300     2.300     1.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.59476E-03 ppm1      1.063 ppm2      8.350 CV     1
 OR {  391}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  392}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.84631E-03 ppm1      1.064 ppm2      3.927 CV     1
 OR {  392}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  394}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
      4.100     2.100     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.57034E-03 ppm1      1.126 ppm2      3.199 CV     1
 OR {  394}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  407}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.500     0.800     0.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.60760E-02 ppm1      0.753 ppm2      0.873 CV     1
 ASSI {  408}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak   408 spectrum    1 weight  0.10000E+01 volume  0.25852E-02 ppm1      0.747 ppm2      0.279 CV     1
 ASSI {  409}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      3.200     1.300     1.300 peak   409 spectrum    1 weight  0.10000E+01 volume  0.11819E-02 ppm1      1.113 ppm2      0.280 CV     1
 ASSI {  411}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.68926E-03 ppm1      1.111 ppm2      0.444 CV     1
 ASSI {  412}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      3.900     1.900     1.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.63238E-03 ppm1      0.282 ppm2      3.097 CV     1
 ASSI {  414}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      4.100     2.100     1.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.52049E-03 ppm1      0.696 ppm2      2.411 CV     1
 ASSI {  419}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      4.300     2.300     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.40229E-03 ppm1      0.283 ppm2      6.751 CV     1
 ASSI {  420}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.700     2.700     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.36356E-03 ppm1      0.437 ppm2      6.748 CV     1
 ASSI {  424}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.200     1.300     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.11486E-02 ppm1      0.437 ppm2      7.187 CV     1
 ASSI {  428}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak   428 spectrum    1 weight  0.10000E+01 volume  0.25956E-02 ppm1      0.438 ppm2      3.938 CV     1
 ASSI {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      3.500     1.500     1.500 peak   429 spectrum    1 weight  0.10000E+01 volume  0.98061E-03 ppm1      0.439 ppm2      3.096 CV     1
 ASSI {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.300     1.300     1.300 peak   432 spectrum    1 weight  0.10000E+01 volume  0.99110E-03 ppm1      0.438 ppm2      3.522 CV     1
 ASSI {  435}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.40233E-02 ppm1      0.437 ppm2      1.638 CV     1
 ASSI {  436}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.400     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.69129E-02 ppm1      0.438 ppm2      1.488 CV     1
 ASSI {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H5A ))
      3.900     1.900     1.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.82418E-03 ppm1      0.439 ppm2      1.260 CV     1
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H5B ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H4B ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H4A ))
 ASSI {  438}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG2%)
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.30978E-02 ppm1      0.437 ppm2      1.104 CV     1
 OR {  438}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  441}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.12627E-02 ppm1      0.487 ppm2      7.323 CV     1
 ASSI {  443}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.500     2.600     1.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.65837E-03 ppm1      0.894 ppm2      7.660 CV     1
 ASSI {  446}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.200     2.200     1.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.15835E-02 ppm1      0.892 ppm2      9.424 CV     1
 ASSI {  447}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.700     2.800     1.300 peak   447 spectrum    1 weight  0.10000E+01 volume  0.41776E-03 ppm1      1.115 ppm2      7.977 CV     1
 ASSI {  449}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      0.893 ppm2      4.901 CV     1
 ASSI {  450}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.90814E-02 ppm1      0.892 ppm2      4.359 CV     1
 ASSI {  451}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.600     0.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.83650E-02 ppm1      1.011 ppm2      4.298 CV     1
 ASSI {  452}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.10426E-01 ppm1      0.994 ppm2      4.251 CV     1
 ASSI {  453}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.600     0.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.10280E-01 ppm1      1.045 ppm2      4.208 CV     1
 ASSI {  454}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.300     0.700     0.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.75750E-02 ppm1      1.384 ppm2      4.314 CV     1
 ASSI {  455}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.48274E-03 ppm1      1.384 ppm2      4.631 CV     1
 ASSI {  456}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      4.200     2.200     1.800 peak   456 spectrum    1 weight  0.10000E+01 volume  0.32300E-03 ppm1      1.111 ppm2      5.260 CV     1
 ASSI {  458}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.25088E-02 ppm1      0.894 ppm2      2.780 CV     1
 ASSI {  459}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.15043E-02 ppm1      0.895 ppm2      3.092 CV     1
 ASSI {  460}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.500     1.500     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.23117E-02 ppm1      0.893 ppm2      1.996 CV     1
 ASSI {  462}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.65169E-02 ppm1      0.892 ppm2      1.713 CV     1
 ASSI {  463}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.69369E-02 ppm1      0.892 ppm2      1.605 CV     1
 ASSI {  464}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.45472E-02 ppm1      0.892 ppm2      1.480 CV     1
 ASSI {  465}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.55062E-02 ppm1      0.991 ppm2      1.865 CV     1
 ASSI {  468}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.600     0.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.92713E-02 ppm1      1.045 ppm2      1.883 CV     1
 ASSI {  469}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.67574E-02 ppm1      1.010 ppm2      2.043 CV     1
 ASSI {  474}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.39703E-02 ppm1      1.382 ppm2      0.490 CV     1
 ASSI {  475}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.700     0.900     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.42703E-02 ppm1      1.382 ppm2      0.804 CV     1
 ASSI {  476}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.39318E-02 ppm1      1.384 ppm2      3.870 CV     1
 ASSI {  478}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.600     1.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.75782E-03 ppm1      0.487 ppm2      9.000 CV     1
 ASSI {  479}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.78996E-03 ppm1      0.487 ppm2      7.547 CV     1
 ASSI {  480}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.28191E-02 ppm1      1.067 ppm2      4.278 CV     1
 ASSI {  481}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.41763E-02 ppm1      1.016 ppm2      4.272 CV     1
 ASSI {  483}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.38068E-02 ppm1      0.491 ppm2      3.340 CV     1
 ASSI {  486}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.21567E-02 ppm1      0.487 ppm2      2.031 CV     1
 ASSI {  487}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.87464E-03 ppm1      0.491 ppm2      1.858 CV     1
 ASSI {  488}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.800     1.800     1.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      0.486 ppm2      2.256 CV     1
 ASSI {  491}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.600     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.34418E-02 ppm1      0.492 ppm2      1.232 CV     1
 ASSI {  493}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      3.100     1.200     1.200 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11198E-02 ppm1      0.803 ppm2      1.692 CV     1
 ASSI {  494}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.200     0.600     0.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.74832E-02 ppm1      0.803 ppm2      3.888 CV     1
 ASSI {  497}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.24800E-02 ppm1      0.490 ppm2      1.062 CV     1
 ASSI {  498}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.95035E-02 ppm1      0.487 ppm2      0.800 CV     1
 ASSI {  501}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      3.800     1.800     1.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.26242E-02 ppm1      0.803 ppm2      7.416 CV     1
 ASSI {  502}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      2.700     0.900     0.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.19889E-02 ppm1      0.802 ppm2      7.662 CV     1
 ASSI {  505}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.82570E-03 ppm1      0.801 ppm2      8.751 CV     1
 ASSI {  506}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.500     1.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.53805E-03 ppm1      0.801 ppm2      9.415 CV     1
 ASSI {  508}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.88821E-03 ppm1      0.798 ppm2      3.616 CV     1
 ASSI {  509}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      4.200     2.200     1.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.33371E-03 ppm1      0.592 ppm2      3.033 CV     1
 ASSI {  510}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.700     1.800     1.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.94847E-03 ppm1      0.634 ppm2      3.020 CV     1
 ASSI {  511}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.19431E-02 ppm1      0.632 ppm2      2.670 CV     1
 ASSI {  513}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak   513 spectrum    1 weight  0.10000E+01 volume  0.93021E-03 ppm1      0.631 ppm2      4.209 CV     1
 ASSI {  516}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      0.802 ppm2      2.142 CV     1
 ASSI {  519}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.500     0.800     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.49640E-02 ppm1      0.802 ppm2      1.135 CV     1
 ASSI {  520}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.100     1.200     1.200 peak   520 spectrum    1 weight  0.10000E+01 volume  0.91722E-03 ppm1      0.803 ppm2      1.910 CV     1
 ASSI {  521}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   521 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1      0.629 ppm2      9.425 CV     1
 ASSI {  522}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.98985E-03 ppm1      0.632 ppm2      9.077 CV     1
 ASSI {  523}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.80728E-03 ppm1      0.632 ppm2      8.039 CV     1
 ASSI {  524}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
      3.500     1.600     1.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.19242E-02 ppm1      0.794 ppm2      6.906 CV     1
 OR {  524}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
 OR {  524}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR {  524}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  525}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.81709E-03 ppm1      0.794 ppm2      7.544 CV     1
 ASSI {  529}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.50026E-02 ppm1      0.989 ppm2      4.273 CV     1
 OR {  529}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  530}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.21411E-02 ppm1      0.994 ppm2      4.903 CV     1
 ASSI {  532}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.25732E-02 ppm1      0.614 ppm2      1.391 CV     1
 OR {  532}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  533}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.44536E-02 ppm1      0.628 ppm2      1.564 CV     1
 OR {  533}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  534}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.400     0.700     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.76241E-02 ppm1      0.594 ppm2      1.564 CV     1
 OR {  534}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  535}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.18392E-02 ppm1      0.592 ppm2      1.401 CV     1
 ASSI {  538}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.400     1.400 peak   538 spectrum    1 weight  0.10000E+01 volume  0.87057E-03 ppm1      0.990 ppm2      9.426 CV     1
 ASSI {  539}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      5.200     3.400     0.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.31457E-03 ppm1      0.989 ppm2      8.751 CV     1
 ASSI {  540}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.700     2.700     1.300 peak   540 spectrum    1 weight  0.10000E+01 volume  0.73648E-03 ppm1      0.991 ppm2      8.266 CV     1
 ASSI {  541}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.21100E-02 ppm1      0.854 ppm2      8.487 CV     1
 ASSI {  543}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.500     1.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.10270E-02 ppm1      0.860 ppm2      8.771 CV     1
 ASSI {  545}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
      4.500     2.500     1.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.75954E-03 ppm1      0.862 ppm2      8.620 CV     1
 ASSI {  546}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.67679E-03 ppm1      1.701 ppm2      8.746 CV     1
 ASSI {  549}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.95024E-03 ppm1      1.055 ppm2      7.226 CV     1
 ASSI {  550}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.57301E-03 ppm1      0.995 ppm2      7.423 CV     1
 ASSI {  551}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.000     1.100     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.23000E-02 ppm1      0.995 ppm2      6.894 CV     1
 ASSI {  557}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.40413E-03 ppm1      0.794 ppm2      6.755 CV     1
 ASSI {  558}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.400     2.500     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.29512E-03 ppm1      0.794 ppm2      7.320 CV     1
 OR {  558}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  559}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.26072E-02 ppm1      1.056 ppm2      4.732 CV     1
 ASSI {  561}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.82257E-03 ppm1      0.997 ppm2      3.933 CV     1
 ASSI {  562}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   562 spectrum    1 weight  0.10000E+01 volume  0.39513E-02 ppm1      0.857 ppm2      3.932 CV     1
 ASSI {  565}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.22455E-02 ppm1      0.856 ppm2      4.307 CV     1
 ASSI {  569}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak   569 spectrum    1 weight  0.10000E+01 volume  0.96621E-03 ppm1      1.056 ppm2      4.339 CV     1
 ASSI {  571}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      1.057 ppm2      3.309 CV     1
 ASSI {  572}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.86702E-03 ppm1      0.874 ppm2      3.610 CV     1
 ASSI {  573}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.500     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.42424E-03 ppm1      0.808 ppm2      3.561 CV     1
 ASSI {  574}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.600     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.25423E-02 ppm1      1.703 ppm2      2.135 CV     1
 ASSI {  575}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.36670E-02 ppm1      0.995 ppm2      2.436 CV     1
 ASSI {  583}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.400     0.700     0.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.61574E-02 ppm1      0.858 ppm2      2.214 CV     1
 ASSI {  584}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      2.000     0.500     0.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.13666E-01 ppm1      0.855 ppm2      2.053 CV     1
 ASSI {  585}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      2.000     0.500     0.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.15552E-01 ppm1      0.868 ppm2      1.693 CV     1
 ASSI {  587}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.58913E-02 ppm1      0.857 ppm2      1.432 CV     1
 ASSI {  588}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.600     0.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.64266E-02 ppm1      0.995 ppm2      1.686 CV     1
 ASSI {  589}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.44043E-02 ppm1      0.994 ppm2      1.988 CV     1
 ASSI {  590}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.36385E-02 ppm1      0.990 ppm2      1.869 CV     1
 ASSI {  592}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.400     0.700     0.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.67058E-02 ppm1      1.053 ppm2      1.776 CV     1
 OR {  592}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  595}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.900     1.100     1.100 peak   595 spectrum    1 weight  0.10000E+01 volume  0.23195E-02 ppm1      0.864 ppm2      0.483 CV     1
 ASSI {  597}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.34059E-02 ppm1      0.804 ppm2      1.259 CV     1
 ASSI {  599}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.70047E-03 ppm1      0.809 ppm2      1.982 CV     1
 ASSI {  601}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.600     2.700     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.44310E-03 ppm1      0.869 ppm2      4.497 CV     1
 ASSI {  602}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.49337E-03 ppm1      0.993 ppm2      3.450 CV     1
 ASSI {  604}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 26   and name HD2%)
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.61073E-02 ppm1      1.594 ppm2      0.796 CV     1
 ASSI {  609}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.600     1.600     1.600 peak   609 spectrum    1 weight  0.10000E+01 volume  0.14623E-02 ppm1      0.897 ppm2      7.323 CV     1
 OR {  609}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  610}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      3.300     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.23504E-02 ppm1      0.899 ppm2      7.215 CV     1
 ASSI {  611}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.200     1.300     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      0.900 ppm2      6.965 CV     1
 ASSI {  612}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.500     1.500 peak   612 spectrum    1 weight  0.10000E+01 volume  0.23083E-02 ppm1      1.244 ppm2      7.554 CV     1
 ASSI {  614}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      1.350 ppm2      8.208 CV     1
 ASSI {  622}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.29292E-02 ppm1      2.058 ppm2      8.489 CV     1
 ASSI {  626}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15934E-02 ppm1      0.899 ppm2      8.376 CV     1
 ASSI {  627}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.400     2.400     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.78417E-03 ppm1      1.399 ppm2      6.967 CV     1
 ASSI {  628}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.700     0.900     0.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12320E-02 ppm1      2.208 ppm2      4.050 CV     1
 ASSI {  629}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.400     1.400 peak   629 spectrum    1 weight  0.10000E+01 volume  0.12349E-02 ppm1      2.054 ppm2      4.308 CV     1
 ASSI {  635}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.42895E-03 ppm1      1.861 ppm2      4.898 CV     1
 ASSI {  636}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.76329E-03 ppm1      2.212 ppm2      4.225 CV     1
 ASSI {  637}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.700     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.68216E-03 ppm1      1.485 ppm2      3.938 CV     1
 ASSI {  640}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD1 ))
      3.000     1.100     1.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.16543E-02 ppm1      1.406 ppm2      4.055 CV     1
 ASSI {  642}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      0.898 ppm2      3.542 CV     1
 ASSI {  643}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14672E-02 ppm1      0.898 ppm2      4.366 CV     1
 ASSI {  654}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.94623E-03 ppm1      1.848 ppm2      4.549 CV     1
 ASSI {  657}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.000     0.500     0.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.10354E-01 ppm1      1.826 ppm2      2.007 CV     1
 ASSI {  659}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.55135E-02 ppm1      1.829 ppm2      1.935 CV     1
 ASSI {  662}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.38705E-02 ppm1      1.354 ppm2      1.545 CV     1
 ASSI {  665}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.900     0.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.42427E-02 ppm1      0.899 ppm2      1.982 CV     1
 ASSI {  666}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.200     0.600     0.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.74806E-02 ppm1      0.898 ppm2      1.863 CV     1
 ASSI {  670}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
      1.800     0.400     0.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.12043E-01 ppm1      1.355 ppm2      0.965 CV     1
 ASSI {  671}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak   671 spectrum    1 weight  0.10000E+01 volume  0.17437E-02 ppm1      1.404 ppm2      0.911 CV     1
 ASSI {  673}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.62122E-02 ppm1      1.865 ppm2      0.987 CV     1
 OR {  673}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  676}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HG2 ))
      1.800     0.400     0.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.52558E-02 ppm1      2.210 ppm2      1.400 CV     1
 ASSI {  677}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13096E-02 ppm1      2.061 ppm2      1.439 CV     1
 ASSI {  681}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.100     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      2.055 ppm2      1.112 CV     1
 ASSI {  682}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.28992E-02 ppm1      1.484 ppm2      0.275 CV     1
 ASSI {  683}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.36719E-02 ppm1      0.898 ppm2      1.418 CV     1
 ASSI {  686}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      3.000     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.17566E-02 ppm1      1.808 ppm2      0.972 CV     1
 ASSI {  689}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.700     1.700     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.13305E-02 ppm1      1.125 ppm2      7.319 CV     1
 OR {  689}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  690}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.21799E-02 ppm1      1.125 ppm2      7.220 CV     1
 ASSI {  691}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.22279E-02 ppm1      1.513 ppm2      7.716 CV     1
 ASSI {  692}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HN  ))
      4.200     2.200     1.800 peak   692 spectrum    1 weight  0.10000E+01 volume  0.16302E-02 ppm1      1.764 ppm2      7.874 CV     1
 ASSI {  693}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.28311E-02 ppm1      1.734 ppm2      7.779 CV     1
 OR {  693}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  695}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      1.847 ppm2      7.716 CV     1
 ASSI {  698}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.900     2.900     1.100 peak   698 spectrum    1 weight  0.10000E+01 volume  0.57186E-03 ppm1      1.520 ppm2      6.995 CV     1
 ASSI {  699}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH11))
      4.500     2.600     1.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.84986E-03 ppm1      1.525 ppm2      6.897 CV     1
 OR {  699}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH22))
 OR {  699}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH12))
 OR {  699}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI {  700}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.600     1.600     1.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      1.126 ppm2      8.760 CV     1
 ASSI {  701}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.800     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.14594E-02 ppm1      1.556 ppm2      9.422 CV     1
 ASSI {  704}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.81031E-03 ppm1      1.527 ppm2      9.019 CV     1
 ASSI {  708}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.67919E-03 ppm1      1.717 ppm2      9.422 CV     1
 ASSI {  709}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE  ))
      3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.98572E-03 ppm1      1.731 ppm2      7.437 CV     1
 OR {  709}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI {  711}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.400     0.700     0.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.46507E-02 ppm1      2.129 ppm2      3.570 CV     1
 OR {  711}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  715}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   715 spectrum    1 weight  0.10000E+01 volume  0.12656E-02 ppm1      1.228 ppm2      3.565 CV     1
 ASSI {  716}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   716 spectrum    1 weight  0.10000E+01 volume  0.14780E-02 ppm1      1.418 ppm2      3.562 CV     1
 ASSI {  717}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   717 spectrum    1 weight  0.10000E+01 volume  0.24486E-02 ppm1      1.847 ppm2      4.377 CV     1
 ASSI {  722}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.15881E-02 ppm1      1.654 ppm2      3.617 CV     1
 ASSI {  723}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.19401E-02 ppm1      1.527 ppm2      3.621 CV     1
 ASSI {  724}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.000     1.100     1.100 peak   724 spectrum    1 weight  0.10000E+01 volume  0.11952E-02 ppm1      1.653 ppm2      3.497 CV     1
 ASSI {  726}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.200     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.17876E-02 ppm1      1.653 ppm2      3.034 CV     1
 ASSI {  729}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.14984E-02 ppm1      1.514 ppm2      4.377 CV     1
 ASSI {  730}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.34749E-02 ppm1      1.415 ppm2      3.210 CV     1
 OR {  730}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  731}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.800     1.000     1.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.19468E-02 ppm1      1.225 ppm2      3.212 CV     1
 OR {  731}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  732}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.20192E-02 ppm1      1.848 ppm2      2.399 CV     1
 ASSI {  736}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.300     0.600     0.600 peak   736 spectrum    1 weight  0.10000E+01 volume  0.64887E-02 ppm1      1.737 ppm2      2.046 CV     1
 OR {  736}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  738}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   738 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      1.226 ppm2      2.045 CV     1
 OR {  738}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  739}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.11130E-01 ppm1      1.126 ppm2      1.895 CV     1
 ASSI {  740}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.53700E-02 ppm1      1.125 ppm2      2.286 CV     1
 ASSI {  742}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HG11))
      1.600     0.300     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.14174E-01 ppm1      1.145 ppm2      1.534 CV     1
 ASSI {  745}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
      2.100     0.600     0.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.89248E-02 ppm1      1.538 ppm2      0.866 CV     1
 ASSI {  747}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      1.800     0.400     0.400 peak   747 spectrum    1 weight  0.10000E+01 volume  0.84740E-02 ppm1      1.419 ppm2      1.222 CV     1
 ASSI {  748}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.23048E-02 ppm1      1.416 ppm2      2.047 CV     1
 OR {  748}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  750}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      3.200     1.300     1.300 peak   750 spectrum    1 weight  0.10000E+01 volume  0.21128E-02 ppm1      1.125 ppm2      0.487 CV     1
 ASSI {  752}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 74   and name HD1%)
      3.700     1.700     1.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.23897E-02 ppm1      1.723 ppm2      1.064 CV     1
 OR {  752}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  752}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  752}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  754}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12))
      1.500     0.300     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11680E-01 ppm1      1.848 ppm2      1.512 CV     1
 ASSI {  755}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.700     0.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.70340E-02 ppm1      1.719 ppm2      1.490 CV     1
 ASSI {  757}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.44980E-02 ppm1      1.555 ppm2      1.400 CV     1
 ASSI {  758}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.22959E-02 ppm1      1.563 ppm2      0.606 CV     1
 OR {  758}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  759}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH11))
      4.900     3.100     1.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.61986E-03 ppm1      1.647 ppm2      6.904 CV     1
 OR {  759}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH22))
 OR {  759}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH12))
 OR {  759}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI {  761}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.14230E-02 ppm1      1.981 ppm2      8.167 CV     1
 ASSI {  763}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      5.000     3.100     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.46211E-03 ppm1      1.729 ppm2      8.158 CV     1
 ASSI {  765}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.700     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.76356E-03 ppm1      1.691 ppm2      8.022 CV     1
 ASSI {  767}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.19094E-02 ppm1      1.732 ppm2      4.238 CV     1
 ASSI {  770}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12458E-02 ppm1      1.986 ppm2      4.237 CV     1
 ASSI {  773}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.500     0.800     0.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.39880E-02 ppm1      2.132 ppm2      4.019 CV     1
 OR {  773}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  774}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD1 ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.17732E-02 ppm1      1.947 ppm2      3.438 CV     1
 ASSI {  776}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.400     1.400     1.400 peak   776 spectrum    1 weight  0.10000E+01 volume  0.15795E-02 ppm1      1.982 ppm2      3.297 CV     1
 ASSI {  777}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD1 ))
      2.800     1.000     1.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      1.628 ppm2      3.440 CV     1
 ASSI {  779}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.500     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.33363E-02 ppm1      1.692 ppm2      3.346 CV     1
 ASSI {  781}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.52495E-02 ppm1      1.972 ppm2      2.195 CV     1
 ASSI {  782}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.500     0.800     0.800 peak   782 spectrum    1 weight  0.10000E+01 volume  0.26842E-02 ppm1      1.731 ppm2      2.191 CV     1
 ASSI {  783}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.100     1.100 peak   783 spectrum    1 weight  0.10000E+01 volume  0.23996E-02 ppm1      1.626 ppm2      2.194 CV     1
 ASSI {  784}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.200     0.600     0.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.79126E-02 ppm1      2.129 ppm2      2.515 CV     1
 OR {  784}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  785}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak   785 spectrum    1 weight  0.10000E+01 volume  0.10698E-01 ppm1      1.983 ppm2      1.732 CV     1
 ASSI {  786}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.700     0.300     0.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.15096E-01 ppm1      1.920 ppm2      1.684 CV     1
 ASSI {  789}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.000     0.500     0.500 peak   789 spectrum    1 weight  0.10000E+01 volume  0.50920E-02 ppm1      1.629 ppm2      1.932 CV     1
 ASSI {  790}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.29660E-02 ppm1      1.628 ppm2      1.836 CV     1
 ASSI {  791}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   791 spectrum    1 weight  0.10000E+01 volume  0.74508E-02 ppm1      1.920 ppm2      2.031 CV     1
 OR {  791}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  795}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.20738E-02 ppm1      1.254 ppm2      8.346 CV     1
 ASSI {  799}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.600     0.300     0.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.97211E-02 ppm1      1.253 ppm2      1.759 CV     1
 ASSI {  802}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
      3.600     1.700     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.80603E-03 ppm1      1.766 ppm2      1.053 CV     1
 OR {  802}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  808}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD2%)
      4.000     2.000     2.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.36717E-03 ppm1      1.760 ppm2      0.608 CV     1
 OR {  808}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  814}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.33775E-02 ppm1      2.210 ppm2      8.474 CV     1
 ASSI {  816}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.23848E-02 ppm1      2.415 ppm2      8.805 CV     1
 ASSI {  817}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.19828E-02 ppm1      2.366 ppm2      8.804 CV     1
 ASSI {  818}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.62602E-03 ppm1      2.235 ppm2      7.597 CV     1
 ASSI {  819}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.51457E-03 ppm1      2.149 ppm2      7.594 CV     1
 ASSI {  820}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.12791E-02 ppm1      2.402 ppm2      8.071 CV     1
 ASSI {  821}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.600     1.700     1.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.14680E-02 ppm1      2.368 ppm2      8.073 CV     1
 ASSI {  824}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.27040E-02 ppm1      2.210 ppm2      4.236 CV     1
 ASSI {  825}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.16545E-02 ppm1      2.415 ppm2      4.290 CV     1
 ASSI {  827}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   827 spectrum    1 weight  0.10000E+01 volume  0.18202E-02 ppm1      2.413 ppm2      4.141 CV     1
 ASSI {  828}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.27027E-02 ppm1      2.363 ppm2      4.135 CV     1
 ASSI {  829}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.700     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.47486E-02 ppm1      2.414 ppm2      2.733 CV     1
 ASSI {  830}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.42467E-02 ppm1      2.369 ppm2      2.731 CV     1
 ASSI {  831}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.52469E-02 ppm1      2.346 ppm2      2.591 CV     1
 ASSI {  832}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.400     0.700     0.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.91633E-02 ppm1      2.144 ppm2      2.485 CV     1
 OR {  832}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  834}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      1.800     0.400     0.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.10397E-01 ppm1      2.207 ppm2      2.335 CV     1
 ASSI {  839}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak   839 spectrum    1 weight  0.10000E+01 volume  0.65435E-03 ppm1      2.208 ppm2      9.622 CV     1
 ASSI {  840}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.42019E-03 ppm1      1.842 ppm2      9.621 CV     1
 ASSI {  841}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.50873E-03 ppm1      2.289 ppm2      9.124 CV     1
 ASSI {  845}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak   845 spectrum    1 weight  0.10000E+01 volume  0.21831E-02 ppm1      2.068 ppm2      8.504 CV     1
 ASSI {  846}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.14570E-02 ppm1      2.210 ppm2      8.473 CV     1
 ASSI {  848}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      2.445 ppm2      7.462 CV     1
 ASSI {  852}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      2.600     0.800     0.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.36483E-02 ppm1      2.123 ppm2      7.799 CV     1
 ASSI {  853}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   853 spectrum    1 weight  0.10000E+01 volume  0.80091E-03 ppm1      1.838 ppm2      7.605 CV     1
 ASSI {  857}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.46543E-03 ppm1      2.444 ppm2      4.454 CV     1
 ASSI {  858}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.16900E-02 ppm1      2.444 ppm2      4.240 CV     1
 ASSI {  859}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   859 spectrum    1 weight  0.10000E+01 volume  0.34377E-02 ppm1      2.278 ppm2      4.222 CV     1
 ASSI {  870}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.700     1.700     1.700 peak   870 spectrum    1 weight  0.10000E+01 volume  0.12370E-02 ppm1      1.848 ppm2      3.341 CV     1
 ASSI {  871}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.400     0.700     0.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.10769E-01 ppm1      2.267 ppm2      2.430 CV     1
 ASSI {  873}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.500     0.800     0.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.33287E-02 ppm1      2.275 ppm2      2.610 CV     1
 ASSI {  874}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      3.000     1.100     1.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.43348E-02 ppm1      2.118 ppm2      2.412 CV     1
 ASSI {  875}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.400     0.700     0.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.79470E-02 ppm1      2.073 ppm2      2.396 CV     1
 OR {  875}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  876}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.900     1.000     1.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.31939E-02 ppm1      2.116 ppm2      2.524 CV     1
 ASSI {  877}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.600     0.900     0.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.26012E-02 ppm1      2.138 ppm2      2.623 CV     1
 ASSI {  878}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.700     0.400     0.500 peak   878 spectrum    1 weight  0.10000E+01 volume  0.17764E-01 ppm1      2.080 ppm2      2.229 CV     1
 ASSI {  882}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.900     0.500     0.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.58741E-02 ppm1      2.199 ppm2      1.843 CV     1
 ASSI {  884}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.000     1.100     1.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.12412E-02 ppm1      2.441 ppm2      1.111 CV     1
 OR {  884}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  885}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.15396E-02 ppm1      2.288 ppm2      1.112 CV     1
 OR {  885}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  894}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.29101E-02 ppm1      2.200 ppm2      8.161 CV     1
 ASSI {  899}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.79940E-03 ppm1      2.021 ppm2      8.488 CV     1
 ASSI {  902}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.700     2.700     1.300 peak   902 spectrum    1 weight  0.10000E+01 volume  0.79450E-03 ppm1      1.551 ppm2      7.417 CV     1
 ASSI {  904}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.100     1.200     1.200 peak   904 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      2.056 ppm2      7.219 CV     1
 OR {  904}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  905}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.64725E-03 ppm1      1.863 ppm2      7.417 CV     1
 ASSI {  907}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      5.200     3.400     0.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.29461E-03 ppm1      1.548 ppm2      6.806 CV     1
 ASSI {  908}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   908 spectrum    1 weight  0.10000E+01 volume  0.74310E-03 ppm1      1.543 ppm2      4.304 CV     1
 ASSI {  909}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      1.550 ppm2      4.096 CV     1
 ASSI {  910}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.12994E-02 ppm1      1.865 ppm2      4.309 CV     1
 ASSI {  916}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.19566E-02 ppm1      2.199 ppm2      4.233 CV     1
 ASSI {  917}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      2.023 ppm2      4.238 CV     1
 ASSI {  922}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
      3.000     1.100     1.100 peak   922 spectrum    1 weight  0.10000E+01 volume  0.23655E-02 ppm1      2.052 ppm2      3.212 CV     1
 OR {  922}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR {  922}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR {  922}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  924}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.100     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.12496E-02 ppm1      1.868 ppm2      3.002 CV     1
 ASSI {  927}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak   927 spectrum    1 weight  0.10000E+01 volume  0.15389E-02 ppm1      1.610 ppm2      3.617 CV     1
 ASSI {  928}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.800     1.800     1.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.53815E-03 ppm1      1.616 ppm2      3.497 CV     1
 ASSI {  934}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak   934 spectrum    1 weight  0.10000E+01 volume  0.23800E-02 ppm1      1.550 ppm2      0.969 CV     1
 ASSI {  935}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.800     1.000     1.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.16220E-02 ppm1      1.859 ppm2      0.960 CV     1
 ASSI {  937}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     0.900     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.37164E-02 ppm1      1.863 ppm2      1.351 CV     1
 ASSI {  938}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.600     0.300     0.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.13324E-01 ppm1      1.864 ppm2      1.550 CV     1
 ASSI {  939}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.900     0.400     0.400 peak   939 spectrum    1 weight  0.10000E+01 volume  0.66771E-02 ppm1      1.869 ppm2      1.618 CV     1
 ASSI {  948}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.400     1.600 peak   948 spectrum    1 weight  0.10000E+01 volume  0.54441E-03 ppm1      2.058 ppm2      7.654 CV     1
 ASSI {  951}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.30929E-02 ppm1      2.052 ppm2      4.608 CV     1
 ASSI {  954}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.100     1.200     1.200 peak   954 spectrum    1 weight  0.10000E+01 volume  0.20563E-02 ppm1      2.054 ppm2      3.274 CV     1
 OR {  954}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  956}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      1.600     0.300     0.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.17802E-01 ppm1      2.053 ppm2      1.867 CV     1
 ASSI {  958}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.600     0.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.78062E-02 ppm1      1.872 ppm2      1.737 CV     1
 OR {  958}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  960}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      5.300     3.500     0.700 peak   960 spectrum    1 weight  0.10000E+01 volume  0.37238E-03 ppm1      2.047 ppm2      1.109 CV     1
 OR {  960}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  963}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak   963 spectrum    1 weight  0.10000E+01 volume  0.74482E-03 ppm1      2.842 ppm2      8.475 CV     1
 ASSI {  965}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   965 spectrum    1 weight  0.10000E+01 volume  0.27352E-02 ppm1      2.839 ppm2      8.254 CV     1
 ASSI {  966}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.000     1.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.19686E-02 ppm1      2.741 ppm2      8.257 CV     1
 ASSI {  970}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   970 spectrum    1 weight  0.10000E+01 volume  0.23563E-02 ppm1      2.274 ppm2      8.250 CV     1
 ASSI {  972}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     3.300     2.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.23383E-02 ppm1      2.280 ppm2      8.553 CV     1
 ASSI {  973}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.43428E-02 ppm1      2.273 ppm2      8.454 CV     1
 ASSI {  980}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.42759E-02 ppm1      2.269 ppm2      3.932 CV     1
 ASSI {  983}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.200     0.600     0.600 peak   983 spectrum    1 weight  0.10000E+01 volume  0.14035E-01 ppm1      2.339 ppm2      2.836 CV     1
 OR {  983}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  984}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.000     0.500     0.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.14097E-01 ppm1      2.339 ppm2      2.737 CV     1
 OR {  984}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  986}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.000     2.000     2.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.11776E-02 ppm1      2.840 ppm2      2.225 CV     1
 ASSI {  988}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.600     2.600     1.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.12239E-02 ppm1      2.739 ppm2      2.220 CV     1
 ASSI {  991}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.84725E-02 ppm1      2.274 ppm2      1.121 CV     1
 ASSI {  992}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
      2.200     0.600     0.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.87996E-02 ppm1      2.271 ppm2      1.037 CV     1
 ASSI {  996}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.98797E-03 ppm1      2.519 ppm2      8.505 CV     1
 ASSI {  998}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak   998 spectrum    1 weight  0.10000E+01 volume  0.97221E-03 ppm1      2.092 ppm2      8.509 CV     1
 ASSI {  999}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.87647E-03 ppm1      2.262 ppm2      9.002 CV     1
 ASSI { 1003}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.400     1.400 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      2.262 ppm2      7.319 CV     1
 ASSI { 1004}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.13035E-02 ppm1      2.264 ppm2      7.218 CV     1
 ASSI { 1005}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.73288E-03 ppm1      2.031 ppm2      7.316 CV     1
 ASSI { 1007}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.700     2.800     1.300 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.39791E-03 ppm1      2.265 ppm2      6.892 CV     1
 ASSI { 1008}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.69400E-02 ppm1      2.520 ppm2      4.536 CV     1
 ASSI { 1009}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.100     2.100     1.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.13692E-02 ppm1      2.519 ppm2      4.023 CV     1
 ASSI { 1010}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.12386E-02 ppm1      2.521 ppm2      3.569 CV     1
 ASSI { 1013}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.27731E-02 ppm1      2.089 ppm2      4.538 CV     1
 ASSI { 1014}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.13155E-02 ppm1      2.086 ppm2      4.027 CV     1
 ASSI { 1015}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.100     1.200     1.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.13844E-02 ppm1      2.087 ppm2      3.572 CV     1
 ASSI { 1016}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.23571E-02 ppm1      2.260 ppm2      3.331 CV     1
 ASSI { 1017}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.600     0.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.29140E-02 ppm1      2.030 ppm2      3.331 CV     1
 ASSI { 1018}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HD2 ))
      4.700     2.800     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.36052E-03 ppm1      2.265 ppm2      2.936 CV     1
 ASSI { 1019}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.700     0.400     0.500 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.10625E-01 ppm1      2.088 ppm2      2.521 CV     1
 ASSI { 1020}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.800     0.400     0.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.59414E-02 ppm1      2.035 ppm2      2.252 CV     1
 ASSI { 1021}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      1.600     0.300     0.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.25864E-01 ppm1      2.519 ppm2      2.098 CV     1
 OR { 1021}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 1021}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1023}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.100     1.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.17813E-02 ppm1      2.264 ppm2      1.398 CV     1
 ASSI { 1024}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.12811E-02 ppm1      2.033 ppm2      1.396 CV     1
 ASSI { 1026}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.900     1.100     1.100 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      2.088 ppm2      1.014 CV     1
 OR { 1026}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1027}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.98072E-03 ppm1      2.031 ppm2      1.120 CV     1
 ASSI { 1038}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.70971E-03 ppm1      2.352 ppm2      7.463 CV     1
 ASSI { 1039}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.700     1.700     1.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.36871E-03 ppm1      2.349 ppm2      6.969 CV     1
 ASSI { 1045}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.900     1.900     1.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.10632E-02 ppm1      2.361 ppm2      2.472 CV     1
 ASSI { 1046}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.000     0.500     0.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.11868E-01 ppm1      2.355 ppm2      1.119 CV     1
 OR { 1046}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 1049}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.20479E-03 ppm1      2.358 ppm2      0.426 CV     1
 ASSI { 1050}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.800     1.200 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.20548E-03 ppm1      2.354 ppm2      0.276 CV     1
 ASSI { 1054}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      2.800     1.000     1.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.22790E-02 ppm1      2.117 ppm2      1.635 CV     1
 ASSI { 1055}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      2.100     0.600     0.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.10861E-01 ppm1      2.120 ppm2      0.955 CV     1
 OR { 1055}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1056}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.21373E-02 ppm1      2.351 ppm2      8.806 CV     1
 ASSI { 1058}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.700     2.800     1.300 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.73773E-03 ppm1      2.352 ppm2      8.076 CV     1
 ASSI { 1061}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      4.600     2.600     1.400 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.60483E-03 ppm1      2.734 ppm2      8.072 CV     1
 ASSI { 1065}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.24559E-02 ppm1      2.350 ppm2      4.138 CV     1
 ASSI { 1066}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.600     0.300     0.600 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.16856E-01 ppm1      2.736 ppm2      2.355 CV     1
 OR { 1066}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1067}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      1.700     0.400     0.500 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.89890E-02 ppm1      2.352 ppm2      2.733 CV     1
 ASSI { 1069}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.34763E-03 ppm1      2.358 ppm2      1.537 CV     1
 ASSI { 1070}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
      4.800     2.900     1.200 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.79319E-03 ppm1      2.351 ppm2      0.925 CV     1
 ASSI { 1074}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.500     1.500 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.19978E-02 ppm1      2.461 ppm2      8.475 CV     1
 ASSI { 1076}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.87798E-03 ppm1      2.493 ppm2      7.604 CV     1
 OR { 1076}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1077}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.800     1.800     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.82992E-03 ppm1      2.450 ppm2      7.800 CV     1
 ASSI { 1078}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.500     1.500 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.20727E-02 ppm1      2.597 ppm2      4.235 CV     1
 ASSI { 1082}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HG2 ))
      1.600     0.300     0.600 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.24259E-01 ppm1      2.596 ppm2      2.460 CV     1
 ASSI { 1084}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.42053E-02 ppm1      2.594 ppm2      2.213 CV     1
 ASSI { 1088}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.80347E-02 ppm1      2.397 ppm2      2.228 CV     1
 OR { 1088}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1093}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      2.395 ppm2      8.247 CV     1
 ASSI { 1097}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.700     2.800     1.300 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.41771E-03 ppm1      2.532 ppm2      7.459 CV     1
 ASSI { 1098}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.28771E-02 ppm1      2.621 ppm2      4.207 CV     1
 ASSI { 1099}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.21747E-02 ppm1      2.529 ppm2      4.242 CV     1
 ASSI { 1103}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.51135E-02 ppm1      2.626 ppm2      2.261 CV     1
 ASSI { 1106}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      1.700     0.300     0.500 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.18919E-01 ppm1      2.391 ppm2      2.623 CV     1
 ASSI { 1107}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG1%)
      5.200     3.300     0.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.47388E-03 ppm1      2.590 ppm2      1.113 CV     1
 OR { 1107}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1108}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      5.100     3.300     0.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.51779E-03 ppm1      2.524 ppm2      1.115 CV     1
 OR { 1108}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1109}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.39081E-03 ppm1      2.632 ppm2      1.053 CV     1
 ASSI { 1110}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD22))
      3.500     1.500     1.500 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.28748E-02 ppm1      3.098 ppm2      7.661 CV     1
 ASSI { 1111}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.600     1.600     1.600 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.26631E-02 ppm1      2.783 ppm2      7.662 CV     1
 ASSI { 1113}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      3.300     1.400     1.400 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      2.789 ppm2      7.414 CV     1
 ASSI { 1121}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.15963E-02 ppm1      3.098 ppm2      4.903 CV     1
 ASSI { 1122}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.19743E-02 ppm1      2.784 ppm2      4.902 CV     1
 ASSI { 1124}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.25110E-02 ppm1      1.930 ppm2      3.746 CV     1
 ASSI { 1126}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.800     0.400     0.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11135E-01 ppm1      3.098 ppm2      2.781 CV     1
 ASSI { 1132}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HD2%)
      3.400     1.400     1.400 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      1.928 ppm2      0.601 CV     1
 OR { 1132}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1133}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG12))
      2.600     0.800     0.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.21614E-02 ppm1      1.930 ppm2      1.255 CV     1
 ASSI { 1134}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.34727E-02 ppm1      1.925 ppm2      1.754 CV     1
 ASSI { 1140}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.21788E-02 ppm1      3.529 ppm2      7.180 CV     1
 ASSI { 1143}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.37946E-02 ppm1      3.111 ppm2      7.181 CV     1
 ASSI { 1147}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.700     0.300     0.500 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.99392E-02 ppm1      3.524 ppm2      3.108 CV     1
 ASSI { 1148}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
      2.600     0.800     0.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      3.525 ppm2      2.960 CV     1
 ASSI { 1149}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.99204E-03 ppm1      3.529 ppm2      2.846 CV     1
 ASSI { 1151}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
      5.200     3.300     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.37325E-03 ppm1      3.111 ppm2      2.861 CV     1
 ASSI { 1159}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.42252E-03 ppm1      2.402 ppm2      6.999 CV     1
 ASSI { 1162}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG12))
      3.600     1.600     1.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.65884E-03 ppm1      2.404 ppm2      1.513 CV     1
 ASSI { 1167}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.43905E-02 ppm1      3.454 ppm2      7.417 CV     1
 ASSI { 1168}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     0.900     0.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.28178E-02 ppm1      1.858 ppm2      8.460 CV     1
 ASSI { 1169}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.48237E-02 ppm1      2.832 ppm2      7.416 CV     1
 ASSI { 1172}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.52949E-03 ppm1      3.451 ppm2      7.957 CV     1
 ASSI { 1173}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HE% )
      4.900     2.900     1.100 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.41795E-03 ppm1      3.453 ppm2      6.811 CV     1
 ASSI { 1179}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB1 ))
      1.800     0.400     0.400 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.10922E-01 ppm1      2.831 ppm2      3.451 CV     1
 ASSI { 1180}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.200     2.200     1.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.91972E-03 ppm1      1.860 ppm2      3.572 CV     1
 ASSI { 1181}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.14669E-02 ppm1      1.857 ppm2      4.571 CV     1
 ASSI { 1182}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.800     2.900     1.200 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.48431E-03 ppm1      1.855 ppm2      4.024 CV     1
 ASSI { 1186}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.300     1.300     1.300 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.15341E-02 ppm1      1.857 ppm2      1.131 CV     1
 ASSI { 1188}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     0.900     0.900 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.36423E-02 ppm1      1.859 ppm2      0.862 CV     1
 ASSI { 1189}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      4.600     2.600     1.400 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.36576E-03 ppm1      3.458 ppm2      0.622 CV     1
 OR { 1189}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1190}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      4.500     2.500     1.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.40446E-03 ppm1      2.834 ppm2      0.619 CV     1
 OR { 1190}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1192}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.32254E-02 ppm1      2.721 ppm2      8.602 CV     1
 ASSI { 1194}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.100     1.100 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.18677E-02 ppm1      2.748 ppm2      8.507 CV     1
 ASSI { 1195}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.22926E-02 ppm1      2.887 ppm2      8.653 CV     1
 ASSI { 1198}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      3.300     1.400     1.400 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.91111E-03 ppm1      2.954 ppm2      7.185 CV     1
 ASSI { 1202}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.800     1.300 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.42471E-03 ppm1      2.668 ppm2      8.049 CV     1
 ASSI { 1206}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      2.600     0.800     0.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.19652E-02 ppm1      2.954 ppm2      6.998 CV     1
 ASSI { 1209}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.800     2.800     1.200 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.41171E-03 ppm1      2.852 ppm2      6.754 CV     1
 ASSI { 1210}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.11340E-02 ppm1      2.852 ppm2      7.181 CV     1
 ASSI { 1211}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.15352E-02 ppm1      2.953 ppm2      4.607 CV     1
 ASSI { 1214}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.200     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.21079E-02 ppm1      2.780 ppm2      4.496 CV     1
 ASSI { 1216}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.35949E-02 ppm1      2.669 ppm2      4.842 CV     1
 ASSI { 1217}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.34056E-02 ppm1      2.887 ppm2      4.842 CV     1
 ASSI { 1218}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.43851E-03 ppm1      2.851 ppm2      4.377 CV     1
 ASSI { 1219}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.500     1.500 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.42285E-03 ppm1      2.960 ppm2      4.372 CV     1
 ASSI { 1220}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.18038E-02 ppm1      2.773 ppm2      4.245 CV     1
 ASSI { 1221}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      2.716 ppm2      4.244 CV     1
 ASSI { 1224}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      1.600     0.300     0.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.33539E-01 ppm1      2.669 ppm2      2.886 CV     1
 ASSI { 1226}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
      1.600     0.300     0.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.97618E-02 ppm1      2.851 ppm2      2.950 CV     1
 ASSI { 1227}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      1.600     0.300     0.600 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.37685E-01 ppm1      2.745 ppm2      2.837 CV     1
 ASSI { 1230}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.33794E-03 ppm1      2.955 ppm2      0.438 CV     1
 ASSI { 1231}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      5.000     3.100     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.34654E-03 ppm1      2.847 ppm2      0.433 CV     1
 ASSI { 1232}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      3.600     1.700     1.700 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.60760E-03 ppm1      2.961 ppm2      0.278 CV     1
 ASSI { 1233}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.88221E-03 ppm1      2.855 ppm2      0.279 CV     1
 ASSI { 1234}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.600     0.800     0.800 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.34085E-02 ppm1      3.316 ppm2      7.317 CV     1
 ASSI { 1235}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.37359E-02 ppm1      3.040 ppm2      7.317 CV     1
 ASSI { 1236}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     1.200     1.200 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.22901E-02 ppm1      2.779 ppm2      8.507 CV     1
 OR { 1236}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1250}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.800     0.400     0.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.10189E-01 ppm1      3.318 ppm2      3.038 CV     1
 ASSI { 1255}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      3.400     1.500     1.500 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      3.039 ppm2      0.691 CV     1
 ASSI { 1257}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.73872E-03 ppm1      3.040 ppm2      0.911 CV     1
 ASSI { 1258}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
      5.300     3.500     0.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.54566E-03 ppm1      3.320 ppm2      1.777 CV     1
 OR { 1258}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1259}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      5.700     4.100     0.300 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.26767E-03 ppm1      3.039 ppm2      1.778 CV     1
 OR { 1259}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1261}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      2.676 ppm2      8.035 CV     1
 ASSI { 1262}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.34374E-02 ppm1      2.701 ppm2      7.893 CV     1
 OR { 1262}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1265}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      1.645 ppm2      8.257 CV     1
 ASSI { 1266}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.13682E-02 ppm1      1.518 ppm2      8.257 CV     1
 ASSI { 1268}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.72202E-02 ppm1      2.709 ppm2      8.226 CV     1
 OR { 1268}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1269}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      2.671 ppm2      9.084 CV     1
 ASSI { 1271}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.12772E-02 ppm1      3.008 ppm2      7.720 CV     1
 ASSI { 1272}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.20904E-02 ppm1      3.051 ppm2      7.602 CV     1
 ASSI { 1273}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.29491E-02 ppm1      3.009 ppm2      7.603 CV     1
 ASSI { 1274}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.24283E-02 ppm1      3.026 ppm2      7.893 CV     1
 ASSI { 1280}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.73454E-03 ppm1      3.010 ppm2      8.444 CV     1
 ASSI { 1281}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.15963E-02 ppm1      3.029 ppm2      9.083 CV     1
 ASSI { 1283}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.22834E-02 ppm1      1.897 ppm2      8.167 CV     1
 ASSI { 1285}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.32345E-02 ppm1      1.643 ppm2      8.448 CV     1
 ASSI { 1286}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     0.900     0.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.23664E-02 ppm1      1.515 ppm2      8.451 CV     1
 ASSI { 1287}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.29849E-02 ppm1      1.902 ppm2      4.270 CV     1
 ASSI { 1288}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.32418E-02 ppm1      1.827 ppm2      4.270 CV     1
 ASSI { 1290}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.20260E-02 ppm1      1.518 ppm2      3.937 CV     1
 ASSI { 1296}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.200     1.200     1.200 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.22413E-02 ppm1      1.903 ppm2      1.043 CV     1
 OR { 1296}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1298}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      2.900     1.000     1.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.28203E-02 ppm1      1.828 ppm2      1.036 CV     1
 OR { 1298}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 1300}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      3.000     1.100     1.100 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.14364E-02 ppm1      1.518 ppm2      0.280 CV     1
 ASSI { 1302}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.100     1.200     1.200 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.24402E-02 ppm1      1.517 ppm2      0.436 CV     1
 ASSI { 1303}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.21953E-02 ppm1      1.460 ppm2      0.802 CV     1
 ASSI { 1304}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.300     1.300 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.14218E-02 ppm1      1.461 ppm2      0.693 CV     1
 ASSI { 1307}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.000     0.500     0.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.53779E-02 ppm1      1.288 ppm2      1.451 CV     1
 ASSI { 1308}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HG  ))
      2.900     1.000     1.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.20837E-02 ppm1      1.280 ppm2      1.578 CV     1
 ASSI { 1311}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      1.500     0.300     0.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.26161E-01 ppm1      1.899 ppm2      1.828 CV     1
 ASSI { 1313}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
      1.800     0.400     0.400 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.93339E-02 ppm1      1.519 ppm2      1.636 CV     1
 ASSI { 1314}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
      1.900     0.400     0.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.78787E-02 ppm1      1.647 ppm2      1.510 CV     1
 OR { 1314}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1315}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.26468E-02 ppm1      3.055 ppm2      4.826 CV     1
 ASSI { 1316}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.27716E-02 ppm1      3.007 ppm2      4.823 CV     1
 ASSI { 1318}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.31475E-02 ppm1      2.875 ppm2      4.712 CV     1
 ASSI { 1323}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
      4.600     2.600     1.400 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.36121E-03 ppm1      2.712 ppm2      4.870 CV     1
 OR { 1323}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 1324}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.24200E-02 ppm1      2.751 ppm2      4.710 CV     1
 ASSI { 1325}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      1.700     0.400     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.13979E-01 ppm1      2.672 ppm2      3.023 CV     1
 ASSI { 1329}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.81338E-03 ppm1      3.002 ppm2      1.841 CV     1
 ASSI { 1334}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      3.300     1.300     1.300 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.17701E-02 ppm1      3.026 ppm2      0.620 CV     1
 OR { 1334}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1335}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.000     1.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.23525E-02 ppm1      2.673 ppm2      0.621 CV     1
 OR { 1335}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1338}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.32694E-02 ppm1      2.861 ppm2      8.950 CV     1
 ASSI { 1340}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     0.900     0.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.31077E-02 ppm1      2.364 ppm2      8.049 CV     1
 ASSI { 1345}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.40425E-02 ppm1      1.642 ppm2      7.545 CV     1
 ASSI { 1348}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.14028E-02 ppm1      2.864 ppm2      8.093 CV     1
 ASSI { 1353}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.25578E-02 ppm1      2.367 ppm2      5.047 CV     1
 ASSI { 1354}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.24785E-02 ppm1      2.304 ppm2      4.206 CV     1
 ASSI { 1356}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.800     2.900     1.200 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.52725E-03 ppm1      1.988 ppm2      3.550 CV     1
 ASSI { 1357}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      1.987 ppm2      4.366 CV     1
 ASSI { 1358}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.35249E-02 ppm1      1.587 ppm2      4.207 CV     1
 ASSI { 1359}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.10244E-02 ppm1      1.653 ppm2      3.331 CV     1
 ASSI { 1360}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.10828E-02 ppm1      1.061 ppm2      3.342 CV     1
 ASSI { 1362}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      1.800     0.400     0.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.16710E-01 ppm1      2.860 ppm2      3.269 CV     1
 ASSI { 1363}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.700     0.400     0.500 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.19914E-01 ppm1      2.366 ppm2      3.038 CV     1
 ASSI { 1365}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.500     0.800     0.800 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.26872E-02 ppm1      2.304 ppm2      1.891 CV     1
 ASSI { 1367}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.700     0.300     0.500 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.12118E-01 ppm1      1.987 ppm2      1.434 CV     1
 ASSI { 1368}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.18883E-02 ppm1      1.990 ppm2      1.852 CV     1
 ASSI { 1369}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.300     0.500 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.11556E-01 ppm1      1.587 ppm2      2.302 CV     1
 ASSI { 1371}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.600     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.18973E-02 ppm1      1.436 ppm2      1.859 CV     1
 ASSI { 1372}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.800     0.400     0.400 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.99574E-02 ppm1      1.056 ppm2      1.637 CV     1
 ASSI { 1377}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
      2.900     1.100     1.100 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.26861E-02 ppm1      1.580 ppm2      1.897 CV     1
 ASSI { 1379}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.15633E-02 ppm1      2.305 ppm2      0.802 CV     1
 ASSI { 1381}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.800     0.800 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.32400E-02 ppm1      1.988 ppm2      0.768 CV     1
 ASSI { 1385}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.800     0.800 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.59497E-02 ppm1      1.633 ppm2      0.795 CV     1
 ASSI { 1389}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      2.700     0.900     0.900 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.25353E-02 ppm1      1.645 ppm2      1.221 CV     1
 ASSI { 1391}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      4.000     2.000     2.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.82439E-03 ppm1      2.858 ppm2      1.559 CV     1
 ASSI { 1394}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.33399E-02 ppm1      2.440 ppm2      7.802 CV     1
 ASSI { 1395}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.32091E-02 ppm1      2.223 ppm2      8.489 CV     1
 ASSI { 1398}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.26167E-02 ppm1      1.784 ppm2      7.218 CV     1
 ASSI { 1400}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.22688E-02 ppm1      1.568 ppm2      8.262 CV     1
 ASSI { 1402}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.27800E-02 ppm1      2.140 ppm2      8.749 CV     1
 ASSI { 1403}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.17958E-02 ppm1      2.137 ppm2      8.602 CV     1
 ASSI { 1405}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.26945E-02 ppm1      1.485 ppm2      8.169 CV     1
 ASSI { 1408}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.22765E-02 ppm1      1.607 ppm2      9.423 CV     1
 ASSI { 1410}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      4.200     2.200     1.800 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.90135E-03 ppm1      1.684 ppm2      8.747 CV     1
 ASSI { 1413}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.700     1.700     1.700 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.93652E-03 ppm1      2.436 ppm2      6.892 CV     1
 ASSI { 1414}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.20418E-02 ppm1      2.019 ppm2      8.348 CV     1
 ASSI { 1415}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.17053E-02 ppm1      1.947 ppm2      8.343 CV     1
 ASSI { 1416}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.26654E-02 ppm1      1.998 ppm2      4.905 CV     1
 ASSI { 1419}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.200     1.200 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.29083E-02 ppm1      1.568 ppm2      4.240 CV     1
 ASSI { 1420}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.32075E-02 ppm1      1.613 ppm2      4.362 CV     1
 ASSI { 1423}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.18539E-02 ppm1      1.786 ppm2      4.333 CV     1
 ASSI { 1426}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.600     2.600     1.400 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.74128E-03 ppm1      2.222 ppm2      3.945 CV     1
 ASSI { 1427}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.17594E-02 ppm1      2.137 ppm2      3.889 CV     1
 ASSI { 1429}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.22906E-02 ppm1      2.224 ppm2      4.306 CV     1
 ASSI { 1432}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.600     0.300     0.600 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.13566E-01 ppm1      2.438 ppm2      1.687 CV     1
 ASSI { 1433}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.700     0.300     0.500 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.14138E-01 ppm1      1.568 ppm2      1.993 CV     1
 ASSI { 1434}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.800     0.400     0.400 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.77895E-02 ppm1      1.591 ppm2      2.136 CV     1
 ASSI { 1435}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      1.600     0.300     0.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.13620E-01 ppm1      1.439 ppm2      2.220 CV     1
 ASSI { 1436}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.600     0.300     0.600 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.14038E-01 ppm1      1.418 ppm2      1.786 CV     1
 OR { 1436}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1437}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.600     0.300     0.600 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.17770E-01 ppm1      1.484 ppm2      1.610 CV     1
 ASSI { 1441}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     0.400     0.500 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.93997E-02 ppm1      1.788 ppm2      1.416 CV     1
 ASSI { 1448}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HG  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.16303E-02 ppm1      2.218 ppm2      2.040 CV     1
 ASSI { 1450}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.26091E-02 ppm1      2.223 ppm2      1.007 CV     1
 ASSI { 1454}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      2.700     0.900     0.900 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.28963E-02 ppm1      2.138 ppm2      0.853 CV     1
 ASSI { 1460}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      4.300     2.300     1.700 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.10474E-02 ppm1      2.133 ppm2      1.119 CV     1
 ASSI { 1461}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.88382E-03 ppm1      1.593 ppm2      3.617 CV     1
 ASSI { 1462}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.900     0.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.32858E-02 ppm1      3.492 ppm2      9.073 CV     1
 ASSI { 1463}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.900     0.900 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.43507E-02 ppm1      3.031 ppm2      9.073 CV     1
 ASSI { 1465}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
      3.000     1.100     1.100 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.34917E-02 ppm1      3.491 ppm2      6.909 CV     1
 OR { 1465}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1465}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI { 1466}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.800     0.900     0.900 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.22876E-02 ppm1      3.031 ppm2      6.904 CV     1
 OR { 1466}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1466}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1469}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.83399E-03 ppm1      3.490 ppm2      3.615 CV     1
 ASSI { 1470}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.700     2.800     1.300 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.72406E-03 ppm1      3.032 ppm2      3.609 CV     1
 ASSI { 1471}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HD1 ))
      1.700     0.400     0.500 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.13677E-01 ppm1      3.031 ppm2      3.491 CV     1
 ASSI { 1473}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.67872E-03 ppm1      1.581 ppm2      2.671 CV     1
 ASSI { 1474}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      4.700     2.800     1.300 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.61183E-03 ppm1      1.575 ppm2      3.027 CV     1
 ASSI { 1475}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.23830E-02 ppm1      1.583 ppm2      4.556 CV     1
 ASSI { 1476}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.12587E-02 ppm1      1.397 ppm2      4.555 CV     1
 ASSI { 1479}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.700     0.400     0.500 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.10492E-01 ppm1      1.583 ppm2      1.390 CV     1
 ASSI { 1480}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.800     0.400     0.400 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.10934E-01 ppm1      1.399 ppm2      1.571 CV     1
 OR { 1480}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1481}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.32084E-02 ppm1      1.581 ppm2      0.607 CV     1
 OR { 1481}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1483}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.23907E-02 ppm1      1.579 ppm2      0.807 CV     1
 ASSI { 1484}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.11752E-02 ppm1      3.494 ppm2      1.861 CV     1
 ASSI { 1485}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.41741E-02 ppm1      3.493 ppm2      1.640 CV     1
 OR { 1485}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1486}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      3.000     1.100     1.100 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.24603E-02 ppm1      3.491 ppm2      1.530 CV     1
 ASSI { 1487}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.18152E-02 ppm1      3.034 ppm2      1.861 CV     1
 ASSI { 1488}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.48214E-02 ppm1      3.031 ppm2      1.634 CV     1
 OR { 1488}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1489}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.600     0.900     0.900 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.23260E-02 ppm1      3.032 ppm2      1.538 CV     1
 ASSI { 1490}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.000     1.100     1.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      1.567 ppm2      7.960 CV     1
 ASSI { 1491}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.64950E-03 ppm1      1.577 ppm2      9.085 CV     1
 ASSI { 1493}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.22012E-02 ppm1      2.847 ppm2      9.115 CV     1
 ASSI { 1494}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      2.900     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18693E-02 ppm1      3.439 ppm2      7.907 CV     1
 ASSI { 1495}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.200     1.200     1.200 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      3.342 ppm2      7.907 CV     1
 ASSI { 1498}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
      3.000     1.100     1.100 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.16878E-02 ppm1      3.275 ppm2      7.434 CV     1
 OR { 1498}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 1499}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      3.300     1.300     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.90882E-03 ppm1      3.298 ppm2      7.571 CV     1
 ASSI { 1500}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.200     1.300     1.300 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.11231E-02 ppm1      3.439 ppm2      7.573 CV     1
 ASSI { 1501}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE  ))
      3.500     1.600     1.600 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.67277E-03 ppm1      3.373 ppm2      7.515 CV     1
 ASSI { 1504}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.32137E-03 ppm1      3.435 ppm2      8.172 CV     1
 ASSI { 1506}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HN  ))
      5.300     3.500     0.700 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.34094E-03 ppm1      3.212 ppm2      8.823 CV     1
 OR { 1506}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1508}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.600     1.500 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.50929E-03 ppm1      3.347 ppm2      8.451 CV     1
 ASSI { 1509}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.200     1.300     1.300 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      3.084 ppm2      6.810 CV     1
 ASSI { 1510}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      3.200     1.300     1.300 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      2.998 ppm2      6.810 CV     1
 ASSI { 1517}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.69134E-03 ppm1      3.301 ppm2      4.371 CV     1
 ASSI { 1518}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      4.800     2.900     1.200 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.56001E-03 ppm1      3.299 ppm2      4.231 CV     1
 ASSI { 1519}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.92405E-03 ppm1      3.230 ppm2      4.315 CV     1
 ASSI { 1520}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.700     2.700     1.300 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.92937E-03 ppm1      3.272 ppm2      4.611 CV     1
 OR { 1520}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1521}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.53283E-03 ppm1      3.203 ppm2      4.617 CV     1
 OR { 1521}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1522}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.000     2.000     2.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.56539E-03 ppm1      3.369 ppm2      4.538 CV     1
 ASSI { 1523}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.35775E-03 ppm1      3.439 ppm2      4.718 CV     1
 ASSI { 1524}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      4.100     2.100     1.900 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.25239E-03 ppm1      3.342 ppm2      4.722 CV     1
 ASSI { 1527}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 52   and name HA  ))
      5.000     3.100     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.19534E-03 ppm1      3.078 ppm2      4.292 CV     1
 ASSI { 1528}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 52   and name HA  ))
      4.600     2.700     1.400 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.22143E-03 ppm1      2.998 ppm2      4.294 CV     1
 ASSI { 1529}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.76705E-03 ppm1      3.084 ppm2      4.092 CV     1
 ASSI { 1530}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      4.300     2.300     1.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.72505E-03 ppm1      3.000 ppm2      4.094 CV     1
 ASSI { 1531}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.300     1.300 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.15415E-02 ppm1      3.281 ppm2      3.942 CV     1
 OR { 1531}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1533}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 48   and name HA  ))
      4.800     2.900     1.200 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.41008E-03 ppm1      3.438 ppm2      3.952 CV     1
 ASSI { 1534}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.55000E-03 ppm1      3.314 ppm2      4.036 CV     1
 ASSI { 1535}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HD2 ))
      1.500     0.300     0.700 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.26557E-01 ppm1      3.084 ppm2      2.999 CV     1
 ASSI { 1537}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      1.700     0.400     0.500 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.22417E-01 ppm1      2.972 ppm2      2.841 CV     1
 ASSI { 1540}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.300     1.300 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.11506E-02 ppm1      3.085 ppm2      1.859 CV     1
 ASSI { 1543}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 36   and name HG2 ))
      5.000     3.100     1.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.37371E-03 ppm1      3.437 ppm2      2.477 CV     1
 OR { 1543}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1544}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.600     1.600 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.12220E-02 ppm1      3.082 ppm2      1.547 CV     1
 ASSI { 1545}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.100     1.200     1.200 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.12857E-02 ppm1      2.997 ppm2      1.548 CV     1
 ASSI { 1546}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.900     1.100     1.100 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.25038E-02 ppm1      3.085 ppm2      1.350 CV     1
 ASSI { 1547}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     1.000     1.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.25167E-02 ppm1      2.999 ppm2      1.350 CV     1
 ASSI { 1548}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.500     1.600     1.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.80764E-03 ppm1      2.967 ppm2      1.043 CV     1
 ASSI { 1549}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.33055E-02 ppm1      3.084 ppm2      0.968 CV     1
 ASSI { 1550}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.000     1.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.28606E-02 ppm1      2.999 ppm2      0.967 CV     1
 ASSI { 1552}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
      3.400     1.500     1.500 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.96918E-03 ppm1      3.278 ppm2      0.996 CV     1
 OR { 1552}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1553}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.800     0.800 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.29609E-02 ppm1      3.223 ppm2      1.414 CV     1
 ASSI { 1554}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     1.000     1.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.23716E-02 ppm1      3.221 ppm2      1.217 CV     1
 ASSI { 1556}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.23472E-02 ppm1      3.441 ppm2      1.843 CV     1
 ASSI { 1557}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.39763E-02 ppm1      3.439 ppm2      1.729 CV     1
 ASSI { 1560}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.48774E-02 ppm1      3.311 ppm2      1.695 CV     1
 ASSI { 1561}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.700     0.900     0.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.33162E-02 ppm1      3.347 ppm2      1.655 CV     1
 ASSI { 1562}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     0.900     0.900 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.29820E-02 ppm1      3.276 ppm2      1.872 CV     1
 OR { 1562}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1563}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.200     0.600     0.600 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.73621E-02 ppm1      3.284 ppm2      1.732 CV     1
 OR { 1563}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR { 1563}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1563}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1564}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.100     1.100 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.20711E-02 ppm1      3.198 ppm2      2.049 CV     1
 OR { 1564}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1565}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.900     1.100     1.100 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.31342E-02 ppm1      3.371 ppm2      2.028 CV     1
 OR { 1565}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1568}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.14150E-02 ppm1      3.344 ppm2      2.193 CV     1
 ASSI { 1569}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.900     0.900 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.21581E-02 ppm1      3.306 ppm2      2.197 CV     1
 ASSI { 1570}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.500     1.500 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.42650E-02 ppm1      3.886 ppm2      8.649 CV     1
 ASSI { 1571}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.28010E-02 ppm1      3.886 ppm2      8.583 CV     1
 ASSI { 1572}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.32607E-02 ppm1      4.258 ppm2      8.640 CV     1
 ASSI { 1575}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.55474E-02 ppm1      3.974 ppm2      8.141 CV     1
 ASSI { 1576}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.200     1.200 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.15919E-02 ppm1      4.101 ppm2      7.782 CV     1
 ASSI { 1578}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.400     1.500     1.500 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.15333E-02 ppm1      3.972 ppm2      7.779 CV     1
 ASSI { 1581}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.300     0.600     0.600 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.73590E-02 ppm1      4.090 ppm2      8.134 CV     1
 ASSI { 1589}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      1.700     0.400     0.500 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.19226E-01 ppm1      3.885 ppm2      4.258 CV     1
 ASSI { 1592}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
      2.900     1.000     1.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.95473E-03 ppm1      4.071 ppm2      1.532 CV     1
 OR { 1592}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1595}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 65   and name HB% )
      4.100     2.100     1.900 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.50942E-03 ppm1      3.978 ppm2      1.448 CV     1
 ASSI { 1601}
   (( segid "    " and resid 66   and name HA1 ))
   (  segid "    " and resid 65   and name HB% )
      4.300     2.300     1.700 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.58313E-03 ppm1      4.091 ppm2      1.462 CV     1
 ASSI { 1604}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.91017E-03 ppm1      4.253 ppm2      7.973 CV     1
 ASSI { 1605}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.43355E-02 ppm1      4.256 ppm2      7.757 CV     1
 ASSI { 1606}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HA1 ))
      1.700     0.400     0.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.20294E-01 ppm1      3.866 ppm2      4.253 CV     1
 ASSI { 1609}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.400     1.500     1.500 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      4.039 ppm2      7.959 CV     1
 OR { 1609}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1611}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.600     0.600 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.98703E-02 ppm1      4.034 ppm2      8.360 CV     1
 OR { 1611}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1613}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.60421E-03 ppm1      4.035 ppm2      8.247 CV     1
 OR { 1613}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1614}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.87913E-03 ppm1      4.034 ppm2      4.468 CV     1
 OR { 1614}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1615}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.600     2.700     1.400 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.37076E-03 ppm1      4.032 ppm2      4.903 CV     1
 OR { 1615}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1617}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
      5.000     3.100     1.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.26330E-03 ppm1      4.026 ppm2      3.088 CV     1
 OR { 1617}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1618}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB2 ))
      4.200     2.200     1.800 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.51855E-03 ppm1      4.033 ppm2      2.779 CV     1
 OR { 1618}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1620}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.600     0.600 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.10610E-01 ppm1      4.095 ppm2      7.961 CV     1
 OR { 1620}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1622}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.34270E-02 ppm1      4.095 ppm2      7.435 CV     1
 OR { 1622}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1624}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG1%)
      4.000     2.000     2.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.10816E-02 ppm1      4.098 ppm2      0.948 CV     1
 OR { 1624}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 1624}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1624}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1625}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HB2 ))
      4.800     2.900     1.200 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.33119E-03 ppm1      4.099 ppm2      2.834 CV     1
 OR { 1625}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1626}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
      5.100     3.300     0.900 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.29798E-03 ppm1      3.567 ppm2      8.452 CV     1
 ASSI { 1627}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.30729E-03 ppm1      4.028 ppm2      8.466 CV     1
 ASSI { 1628}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.100     0.500     0.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.71159E-02 ppm1      4.028 ppm2      4.570 CV     1
 ASSI { 1629}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.700     0.700 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.60254E-02 ppm1      3.575 ppm2      4.572 CV     1
 ASSI { 1630}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.500     0.300     0.700 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.20154E-01 ppm1      3.574 ppm2      4.023 CV     1
 ASSI { 1635}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 64   and name HB  ))
      3.200     1.300     1.300 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.14817E-02 ppm1      3.573 ppm2      2.239 CV     1
 ASSI { 1636}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.200     0.600     0.600 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.84302E-02 ppm1      3.574 ppm2      2.120 CV     1
 OR { 1636}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR { 1636}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 1637}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 64   and name HB  ))
      4.600     2.700     1.400 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.86906E-03 ppm1      4.022 ppm2      2.244 CV     1
 ASSI { 1638}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.200     0.600     0.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.84344E-02 ppm1      4.025 ppm2      2.121 CV     1
 OR { 1638}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
 OR { 1638}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1642}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG12))
      4.700     2.700     1.300 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.40988E-03 ppm1      3.572 ppm2      1.133 CV     1
 ASSI { 1645}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HD1%)
      5.500     3.800     0.500 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.51507E-03 ppm1      4.021 ppm2      0.853 CV     1
 ASSI { 1646}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HG12))
      5.000     3.200     1.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.33864E-03 ppm1      4.022 ppm2      1.132 CV     1
 ASSI { 1648}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.800     0.800 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.16407E-02 ppm1      2.931 ppm2      4.589 CV     1
 ASSI { 1649}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HD1 ))
      1.800     0.400     0.400 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.74388E-02 ppm1      2.933 ppm2      4.049 CV     1
 ASSI { 1650}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.92228E-03 ppm1      4.052 ppm2      9.001 CV     1
 ASSI { 1651}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.700     1.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.31825E-03 ppm1      2.933 ppm2      9.008 CV     1
 ASSI { 1653}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      4.050 ppm2      7.221 CV     1
 ASSI { 1654}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.500     1.500 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.51552E-03 ppm1      2.925 ppm2      7.213 CV     1
 ASSI { 1655}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.37266E-02 ppm1      2.934 ppm2      4.899 CV     1
 ASSI { 1656}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.25741E-02 ppm1      4.049 ppm2      4.897 CV     1
 ASSI { 1659}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.700     1.400 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.61694E-03 ppm1      4.054 ppm2      3.327 CV     1
 ASSI { 1660}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      4.048 ppm2      2.027 CV     1
 ASSI { 1661}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.200     1.300     1.300 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.17636E-02 ppm1      2.935 ppm2      2.214 CV     1
 ASSI { 1662}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.50112E-03 ppm1      2.936 ppm2      2.023 CV     1
 ASSI { 1664}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.13609E-02 ppm1      2.935 ppm2      1.399 CV     1
 ASSI { 1666}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.900     1.900     1.900 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      4.052 ppm2      1.039 CV     1
 ASSI { 1667}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.60462E-03 ppm1      4.055 ppm2      0.905 CV     1
 ASSI { 1668}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.99746E-03 ppm1      2.936 ppm2      1.041 CV     1
 ASSI { 1669}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.18039E-02 ppm1      4.369 ppm2      7.852 CV     1
 ASSI { 1670}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.36438E-02 ppm1      4.473 ppm2      7.981 CV     1
 ASSI { 1671}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.24831E-02 ppm1      4.470 ppm2      7.867 CV     1
 ASSI { 1672}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.56398E-02 ppm1      4.748 ppm2      8.948 CV     1
 ASSI { 1674}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.16202E-02 ppm1      4.751 ppm2      8.084 CV     1
 ASSI { 1675}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA1 ))
      4.500     2.500     1.500 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.70303E-03 ppm1      4.370 ppm2      4.094 CV     1
 OR { 1675}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI { 1676}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.60342E-02 ppm1      4.751 ppm2      2.857 CV     1
 ASSI { 1677}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.64835E-02 ppm1      4.749 ppm2      3.271 CV     1
 ASSI { 1685}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.16602E-02 ppm1      5.046 ppm2      7.222 CV     1
 ASSI { 1686}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.700     0.900     0.900 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.46174E-02 ppm1      5.056 ppm2      3.034 CV     1
 ASSI { 1689}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.58448E-02 ppm1      4.291 ppm2      7.959 CV     1
 ASSI { 1690}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.43902E-02 ppm1      4.291 ppm2      7.796 CV     1
 ASSI { 1691}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.300     1.300 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.16396E-02 ppm1      4.222 ppm2      7.979 CV     1
 ASSI { 1694}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.200     0.600     0.600 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.84396E-02 ppm1      4.343 ppm2      8.449 CV     1
 ASSI { 1696}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.10507E-02 ppm1      4.461 ppm2      7.800 CV     1
 ASSI { 1697}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.44122E-02 ppm1      4.462 ppm2      7.629 CV     1
 ASSI { 1698}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.15241E-02 ppm1      4.714 ppm2      8.605 CV     1
 ASSI { 1700}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.100     2.100     1.900 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.41483E-03 ppm1      4.379 ppm2      7.320 CV     1
 ASSI { 1701}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.15415E-02 ppm1      4.374 ppm2      3.035 CV     1
 ASSI { 1702}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.400     1.400     1.400 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.67475E-03 ppm1      4.374 ppm2      3.318 CV     1
 ASSI { 1704}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.400     0.700     0.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.46407E-02 ppm1      4.339 ppm2      1.786 CV     1
 OR { 1704}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1705}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      2.100     0.500     0.500 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.17685E-01 ppm1      4.462 ppm2      1.631 CV     1
 ASSI { 1707}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      3.300     1.400     1.400 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.12936E-02 ppm1      4.226 ppm2      1.479 CV     1
 ASSI { 1708}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.000     1.000 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.32002E-02 ppm1      4.376 ppm2      1.450 CV     1
 ASSI { 1709}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.42090E-02 ppm1      4.342 ppm2      1.418 CV     1
 ASSI { 1710}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.31859E-02 ppm1      4.374 ppm2      1.269 CV     1
 ASSI { 1711}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.500     1.500     1.500 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.13188E-02 ppm1      4.376 ppm2      1.578 CV     1
 ASSI { 1714}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.700     2.700     3.300 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.12412E-02 ppm1      4.291 ppm2      0.888 CV     1
 ASSI { 1715}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.100     1.200     1.200 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.16370E-02 ppm1      4.378 ppm2      0.804 CV     1
 ASSI { 1716}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      2.500     0.800     0.800 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.84641E-02 ppm1      4.375 ppm2      0.692 CV     1
 ASSI { 1718}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.70908E-02 ppm1      4.722 ppm2      2.825 CV     1
 OR { 1718}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1722}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.37032E-02 ppm1      4.581 ppm2      8.509 CV     1
 ASSI { 1723}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.900     0.900 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.34486E-02 ppm1      4.101 ppm2      8.224 CV     1
 ASSI { 1724}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.34255E-02 ppm1      4.102 ppm2      8.139 CV     1
 ASSI { 1725}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.12154E-01 ppm1      4.360 ppm2      9.423 CV     1
 ASSI { 1727}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.500     2.500     1.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.34151E-03 ppm1      4.101 ppm2      7.652 CV     1
 ASSI { 1728}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      5.100     3.200     0.900 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.33488E-03 ppm1      4.100 ppm2      7.501 CV     1
 ASSI { 1729}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.000     1.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.30952E-02 ppm1      4.581 ppm2      7.504 CV     1
 ASSI { 1730}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.55641E-03 ppm1      4.365 ppm2      4.910 CV     1
 ASSI { 1731}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.400     0.700     0.700 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.73439E-02 ppm1      4.580 ppm2      2.846 CV     1
 ASSI { 1732}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.900     0.900 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.73084E-02 ppm1      4.580 ppm2      2.742 CV     1
 ASSI { 1733}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      2.300     0.600     0.600 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.93689E-02 ppm1      4.101 ppm2      1.438 CV     1
 ASSI { 1734}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      2.700     0.900     0.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.26850E-02 ppm1      4.102 ppm2      1.118 CV     1
 OR { 1734}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 1737}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.49865E-02 ppm1      4.360 ppm2      1.479 CV     1
 ASSI { 1738}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.900     2.900     3.100 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.83843E-03 ppm1      4.368 ppm2      1.381 CV     1
 ASSI { 1740}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.500     2.500     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.23389E-03 ppm1      4.100 ppm2      0.436 CV     1
 ASSI { 1741}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.19286E-03 ppm1      4.109 ppm2      0.277 CV     1
 ASSI { 1742}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      4.700     2.800     1.300 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.26382E-03 ppm1      4.101 ppm2      2.228 CV     1
 ASSI { 1743}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      5.900     4.300     0.100 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.13793E-03 ppm1      4.104 ppm2      2.341 CV     1
 ASSI { 1745}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      4.296 ppm2      8.804 CV     1
 ASSI { 1746}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.600     0.600 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.71274E-02 ppm1      4.560 ppm2      9.083 CV     1
 ASSI { 1747}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.22092E-02 ppm1      4.559 ppm2      9.422 CV     1
 ASSI { 1748}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.29834E-02 ppm1      4.716 ppm2      8.450 CV     1
 ASSI { 1749}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.60494E-02 ppm1      4.718 ppm2      8.350 CV     1
 ASSI { 1750}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.29654E-02 ppm1      5.257 ppm2      9.117 CV     1
 ASSI { 1752}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.900     0.900 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.42987E-02 ppm1      4.330 ppm2      8.166 CV     1
 ASSI { 1753}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.36555E-02 ppm1      4.373 ppm2      7.731 CV     1
 ASSI { 1754}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.15108E-02 ppm1      5.258 ppm2      7.465 CV     1
 ASSI { 1755}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.19649E-02 ppm1      5.257 ppm2      7.191 CV     1
 ASSI { 1756}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      3.800     1.800     1.800 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.52224E-03 ppm1      5.262 ppm2      6.949 CV     1
 ASSI { 1757}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.83217E-03 ppm1      4.373 ppm2      8.373 CV     1
 ASSI { 1759}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      3.800     1.800     1.800 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.74284E-03 ppm1      4.371 ppm2      3.433 CV     1
 ASSI { 1761}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.100     2.100     1.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.48795E-03 ppm1      5.258 ppm2      3.111 CV     1
 ASSI { 1762}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.500     0.800     0.800 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.50827E-02 ppm1      5.257 ppm2      2.972 CV     1
 ASSI { 1763}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.46818E-02 ppm1      5.257 ppm2      2.843 CV     1
 ASSI { 1764}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.900     1.900     1.900 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.22389E-02 ppm1      4.371 ppm2      2.247 CV     1
 ASSI { 1765}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.20864E-02 ppm1      4.330 ppm2      2.210 CV     1
 ASSI { 1766}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.61443E-03 ppm1      4.372 ppm2      2.151 CV     1
 ASSI { 1767}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.35951E-02 ppm1      4.293 ppm2      2.366 CV     1
 OR { 1767}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1768}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.400     2.400     1.600 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.85747E-03 ppm1      4.330 ppm2      2.448 CV     1
 ASSI { 1770}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.300     1.300     1.300 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.82241E-03 ppm1      4.333 ppm2      2.591 CV     1
 ASSI { 1771}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.300     1.300 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.95092E-03 ppm1      4.293 ppm2      2.736 CV     1
 ASSI { 1772}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.29814E-02 ppm1      4.719 ppm2      2.195 CV     1
 ASSI { 1773}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.300     2.400     1.700 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.71566E-03 ppm1      4.554 ppm2      3.026 CV     1
 ASSI { 1777}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.200     0.600     0.600 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.12959E-01 ppm1      4.329 ppm2      1.553 CV     1
 ASSI { 1778}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
      2.500     0.800     0.800 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.52965E-02 ppm1      4.558 ppm2      1.571 CV     1
 OR { 1778}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1780}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.800     1.000     1.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.23556E-02 ppm1      4.717 ppm2      1.626 CV     1
 ASSI { 1781}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.700     1.700     1.700 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.12794E-02 ppm1      4.725 ppm2      1.950 CV     1
 ASSI { 1782}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.16640E-02 ppm1      4.719 ppm2      1.843 CV     1
 ASSI { 1783}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      3.600     1.600     1.600 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.10255E-02 ppm1      5.256 ppm2      1.117 CV     1
 OR { 1783}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 1788}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.100     1.100 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.39196E-02 ppm1      4.560 ppm2      0.614 CV     1
 OR { 1788}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1793}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.33107E-02 ppm1      3.938 ppm2      8.663 CV     1
 ASSI { 1794}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.14534E-02 ppm1      3.941 ppm2      8.487 CV     1
 ASSI { 1799}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.300     1.400     1.400 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.10100E-02 ppm1      3.939 ppm2      2.055 CV     1
 ASSI { 1802}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.26213E-02 ppm1      4.612 ppm2      1.866 CV     1
 ASSI { 1803}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.41888E-02 ppm1      4.612 ppm2      1.740 CV     1
 OR { 1803}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1809}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.18313E-02 ppm1      3.940 ppm2      1.438 CV     1
 ASSI { 1810}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.500     1.500 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.10285E-02 ppm1      4.237 ppm2      7.961 CV     1
 ASSI { 1811}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.27495E-02 ppm1      4.245 ppm2      8.257 CV     1
 ASSI { 1812}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.35266E-02 ppm1      4.390 ppm2      7.806 CV     1
 ASSI { 1813}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.60024E-02 ppm1      4.467 ppm2      8.248 CV     1
 ASSI { 1818}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.500     0.800     0.800 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.73162E-02 ppm1      4.468 ppm2      2.774 CV     1
 OR { 1818}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1819}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.800     1.000     1.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.34176E-02 ppm1      4.390 ppm2      2.266 CV     1
 ASSI { 1820}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.800     1.000     1.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.32685E-02 ppm1      4.469 ppm2      2.232 CV     1
 ASSI { 1822}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.100     1.200     1.200 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.23687E-02 ppm1      4.469 ppm2      2.397 CV     1
 OR { 1822}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1823}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.900     1.900     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.80018E-03 ppm1      4.390 ppm2      2.523 CV     1
 ASSI { 1824}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.100     1.200     1.200 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.22564E-02 ppm1      4.391 ppm2      2.449 CV     1
 ASSI { 1825}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.23605E-02 ppm1      4.240 ppm2      1.999 CV     1
 ASSI { 1826}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.100     1.200     1.200 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.25244E-02 ppm1      4.246 ppm2      1.863 CV     1
 ASSI { 1829}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.000     1.100     1.100 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.25615E-02 ppm1      4.389 ppm2      2.117 CV     1
 ASSI { 1831}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.20097E-02 ppm1      4.470 ppm2      2.068 CV     1
 ASSI { 1832}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      4.600     2.600     1.400 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.48833E-03 ppm1      4.238 ppm2      0.877 CV     1
 ASSI { 1833}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.200     0.600     0.600 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.11548E-01 ppm1      4.244 ppm2      0.988 CV     1
 OR { 1833}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1839}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.36293E-02 ppm1      4.493 ppm2      8.602 CV     1
 ASSI { 1840}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.15821E-02 ppm1      4.494 ppm2      8.884 CV     1
 ASSI { 1841}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.20515E-02 ppm1      4.365 ppm2      8.371 CV     1
 ASSI { 1845}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.28734E-02 ppm1      4.542 ppm2      7.898 CV     1
 ASSI { 1846}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.400     1.400 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.13311E-02 ppm1      4.491 ppm2      7.982 CV     1
 ASSI { 1850}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.500     1.500 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.46612E-03 ppm1      4.626 ppm2      7.232 CV     1
 ASSI { 1851}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.89097E-03 ppm1      4.726 ppm2      7.324 CV     1
 ASSI { 1854}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.89525E-03 ppm1      4.728 ppm2      7.226 CV     1
 ASSI { 1856}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.700     0.900     0.900 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.27870E-02 ppm1      4.541 ppm2      3.023 CV     1
 ASSI { 1857}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.26007E-02 ppm1      4.492 ppm2      3.095 CV     1
 ASSI { 1858}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.42341E-02 ppm1      4.731 ppm2      3.310 CV     1
 ASSI { 1859}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.33991E-02 ppm1      4.729 ppm2      3.044 CV     1
 ASSI { 1861}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.66452E-02 ppm1      4.543 ppm2      2.672 CV     1
 ASSI { 1863}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.600     0.900     0.900 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.55417E-02 ppm1      4.492 ppm2      2.733 CV     1
 ASSI { 1864}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.43476E-02 ppm1      4.617 ppm2      2.045 CV     1
 OR { 1864}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1867}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.200     1.300     1.300 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.17637E-02 ppm1      4.363 ppm2      1.852 CV     1
 ASSI { 1868}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.800     1.800     1.800 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.27674E-02 ppm1      4.731 ppm2      1.768 CV     1
 ASSI { 1871}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.000     1.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.64120E-02 ppm1      4.366 ppm2      0.746 CV     1
 ASSI { 1873}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.30499E-02 ppm1      4.362 ppm2      1.436 CV     1
 ASSI { 1876}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      4.600     2.700     1.400 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.56878E-03 ppm1      4.534 ppm2      0.601 CV     1
 OR { 1876}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1878}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.100     2.100     1.900 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.44288E-03 ppm1      3.947 ppm2      8.656 CV     1
 ASSI { 1880}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.300     1.300 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      3.938 ppm2      8.324 CV     1
 ASSI { 1881}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      3.941 ppm2      8.259 CV     1
 ASSI { 1884}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.300     1.300 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.10250E-02 ppm1      4.307 ppm2      8.796 CV     1
 ASSI { 1885}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.500     1.500 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.94717E-03 ppm1      4.280 ppm2      8.748 CV     1
 ASSI { 1887}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.400     1.400 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.11653E-02 ppm1      4.308 ppm2      8.205 CV     1
 ASSI { 1888}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.24416E-02 ppm1      4.309 ppm2      8.487 CV     1
 ASSI { 1889}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.15776E-02 ppm1      4.572 ppm2      8.460 CV     1
 ASSI { 1891}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.600     0.600 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.80905E-02 ppm1      4.612 ppm2      8.094 CV     1
 ASSI { 1892}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.14775E-02 ppm1      4.618 ppm2      7.978 CV     1
 ASSI { 1893}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.28629E-02 ppm1      4.309 ppm2      7.416 CV     1
 ASSI { 1895}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.26615E-02 ppm1      4.206 ppm2      8.037 CV     1
 ASSI { 1896}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.42079E-03 ppm1      4.208 ppm2      8.383 CV     1
 ASSI { 1900}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.10789E-02 ppm1      3.339 ppm2      7.560 CV     1
 ASSI { 1901}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.600     1.600 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.75442E-03 ppm1      3.339 ppm2      7.316 CV     1
 ASSI { 1904}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.300     1.400     1.400 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.68847E-03 ppm1      3.939 ppm2      6.996 CV     1
 ASSI { 1905}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.400     1.400     1.400 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      3.940 ppm2      6.757 CV     1
 ASSI { 1907}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.000     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.18049E-02 ppm1      4.612 ppm2      6.992 CV     1
 ASSI { 1908}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.18315E-02 ppm1      3.941 ppm2      4.416 CV     1
 ASSI { 1922}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.300     0.700     0.700 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.10456E-01 ppm1      4.619 ppm2      2.705 CV     1
 OR { 1922}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1927}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.900     1.100     1.100 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.24732E-02 ppm1      3.938 ppm2      1.640 CV     1
 ASSI { 1929}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.200     1.300     1.300 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.16014E-02 ppm1      4.209 ppm2      1.896 CV     1
 ASSI { 1932}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.67538E-02 ppm1      4.285 ppm2      1.674 CV     1
 ASSI { 1936}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.900     1.900     1.900 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.77477E-03 ppm1      3.337 ppm2      0.792 CV     1
 ASSI { 1937}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.800     1.000     1.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.97696E-03 ppm1      3.337 ppm2      1.399 CV     1
 ASSI { 1938}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.300     1.300     1.300 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.11641E-02 ppm1      3.336 ppm2      1.241 CV     1
 ASSI { 1942}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      3.200     1.200     1.200 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.14711E-02 ppm1      4.209 ppm2      0.614 CV     1
 OR { 1942}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1945}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.600     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.47535E-02 ppm1      4.208 ppm2      1.641 CV     1
 ASSI { 1950}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
      2.500     0.800     0.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.23537E-02 ppm1      4.573 ppm2      1.139 CV     1
 ASSI { 1952}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      3.900     1.900     1.900 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.18406E-02 ppm1      4.574 ppm2      0.866 CV     1
 ASSI { 1955}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG11))
      2.800     1.000     1.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.31209E-02 ppm1      4.577 ppm2      1.541 CV     1
 ASSI { 1956}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.46719E-02 ppm1      3.941 ppm2      1.511 CV     1
 OR { 1956}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1961}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.92671E-03 ppm1      3.896 ppm2      8.874 CV     1
 ASSI { 1962}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.38765E-02 ppm1      3.895 ppm2      8.747 CV     1
 ASSI { 1963}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.11506E-02 ppm1      3.896 ppm2      8.600 CV     1
 ASSI { 1964}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.400     1.400 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      3.894 ppm2      8.350 CV     1
 ASSI { 1965}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.40679E-02 ppm1      4.098 ppm2      8.207 CV     1
 ASSI { 1967}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.51848E-02 ppm1      4.203 ppm2      8.253 CV     1
 ASSI { 1968}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.30442E-02 ppm1      4.271 ppm2      7.872 CV     1
 ASSI { 1970}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.14169E-02 ppm1      4.271 ppm2      8.163 CV     1
 ASSI { 1973}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.000     1.200     1.200 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.17609E-02 ppm1      4.735 ppm2      8.062 CV     1
 ASSI { 1974}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.10092E-02 ppm1      4.735 ppm2      7.953 CV     1
 ASSI { 1975}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.45952E-02 ppm1      4.726 ppm2      7.411 CV     1
 ASSI { 1976}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.700     0.900     0.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.26301E-02 ppm1      4.729 ppm2      3.452 CV     1
 ASSI { 1977}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 42   and name H28A))
      3.900     1.900     1.900 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.66870E-03 ppm1      4.274 ppm2      3.466 CV     1
 ASSI { 1981}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.000     2.000     2.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.44316E-03 ppm1      3.895 ppm2      2.447 CV     1
 ASSI { 1983}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.53059E-02 ppm1      4.203 ppm2      2.388 CV     1
 ASSI { 1984}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.300     1.300     1.300 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.21686E-02 ppm1      4.734 ppm2      2.828 CV     1
 ASSI { 1986}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.60447E-02 ppm1      4.205 ppm2      2.255 CV     1
 ASSI { 1987}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.70329E-02 ppm1      4.202 ppm2      2.134 CV     1
 ASSI { 1989}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.26003E-02 ppm1      3.896 ppm2      1.926 CV     1
 ASSI { 1990}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.58709E-02 ppm1      4.098 ppm2      1.862 CV     1
 ASSI { 1991}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.000     1.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.30853E-02 ppm1      3.893 ppm2      1.705 CV     1
 ASSI { 1993}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.300     1.400     1.400 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.18004E-02 ppm1      3.897 ppm2      1.121 CV     1
 ASSI { 1996}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.25218E-02 ppm1      4.096 ppm2      0.966 CV     1
 ASSI { 1997}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.33145E-02 ppm1      4.098 ppm2      1.351 CV     1
 ASSI { 1999}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.300     1.300 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.19410E-02 ppm1      4.201 ppm2      1.042 CV     1
 ASSI { 2002}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.22749E-02 ppm1      3.895 ppm2      0.598 CV     1
 ASSI { 2004}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.10750E-01 ppm1      4.624 ppm2      8.460 CV     1
 ASSI { 2005}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.11210E-02 ppm1      4.238 ppm2      8.329 CV     1
 ASSI { 2009}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.98562E-03 ppm1      4.360 ppm2      7.964 CV     1
 ASSI { 2011}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.12080E-02 ppm1      4.362 ppm2      7.603 CV     1
 ASSI { 2012}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.22704E-02 ppm1      4.624 ppm2      7.435 CV     1
 ASSI { 2014}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.600     2.600     1.400 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.66343E-03 ppm1      4.620 ppm2      3.778 CV     1
 OR { 2014}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 2015}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      4.800     2.900     1.200 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.72380E-03 ppm1      4.239 ppm2      3.433 CV     1
 ASSI { 2017}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.900     1.100     1.100 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.59283E-02 ppm1      4.362 ppm2      2.488 CV     1
 OR { 2017}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 2019}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      2.400     0.700     0.700 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.54593E-02 ppm1      4.239 ppm2      2.457 CV     1
 ASSI { 2020}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.56711E-02 ppm1      4.239 ppm2      2.340 CV     1
 ASSI { 2022}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.300     0.700     0.700 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.72969E-02 ppm1      4.363 ppm2      2.228 CV     1
 ASSI { 2023}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.68863E-02 ppm1      4.362 ppm2      2.144 CV     1
 ASSI { 2024}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.60572E-02 ppm1      4.623 ppm2      2.113 CV     1
 ASSI { 2025}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.300     0.600     0.600 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.69494E-02 ppm1      4.240 ppm2      2.004 CV     1
 OR { 2025}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2030}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.25713E-02 ppm1      3.621 ppm2      9.002 CV     1
 ASSI { 2031}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.12847E-02 ppm1      3.618 ppm2      8.745 CV     1
 ASSI { 2033}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.33541E-02 ppm1      4.143 ppm2      8.805 CV     1
 ASSI { 2035}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.38863E-02 ppm1      4.035 ppm2      8.023 CV     1
 ASSI { 2036}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.14336E-02 ppm1      4.033 ppm2      7.726 CV     1
 ASSI { 2039}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.700     1.700     1.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.84829E-03 ppm1      4.142 ppm2      7.959 CV     1
 ASSI { 2040}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.57676E-03 ppm1      4.035 ppm2      8.251 CV     1
 ASSI { 2042}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.18942E-02 ppm1      4.323 ppm2      8.285 CV     1
 ASSI { 2043}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.36502E-02 ppm1      4.324 ppm2      8.570 CV     1
 ASSI { 2044}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.33706E-02 ppm1      4.559 ppm2      7.821 CV     1
 ASSI { 2047}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     0.900     0.900 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.32358E-02 ppm1      4.561 ppm2      4.122 CV     1
 ASSI { 2048}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.900     0.900 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.51353E-02 ppm1      4.558 ppm2      4.052 CV     1
 ASSI { 2049}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.84088E-02 ppm1      4.317 ppm2      4.032 CV     1
 ASSI { 2051}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      4.400     2.400     1.600 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.63254E-03 ppm1      4.033 ppm2      3.359 CV     1
 ASSI { 2052}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      3.500     1.500     1.500 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      4.323 ppm2      3.203 CV     1
 OR { 2052}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2053}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.900     3.000     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.63765E-03 ppm1      4.144 ppm2      2.116 CV     1
 ASSI { 2054}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.200     0.600     0.600 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.10401E-01 ppm1      4.033 ppm2      2.028 CV     1
 OR { 2054}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2055}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.000     1.200     1.200 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.32412E-02 ppm1      4.034 ppm2      1.920 CV     1
 ASSI { 2057}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.100     0.500     0.500 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.91184E-02 ppm1      4.143 ppm2      2.364 CV     1
 OR { 2057}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 2058}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.30266E-02 ppm1      4.143 ppm2      2.733 CV     1
 ASSI { 2060}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.31402E-02 ppm1      3.622 ppm2      2.138 CV     1
 ASSI { 2061}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.36825E-02 ppm1      3.621 ppm2      1.865 CV     1
 ASSI { 2062}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.600     0.800     0.800 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.36400E-02 ppm1      4.034 ppm2      1.690 CV     1
 ASSI { 2065}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      3.400     1.400     1.400 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.41785E-02 ppm1      4.034 ppm2      1.117 CV     1
 ASSI { 2066}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.100     1.200     1.200 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      4.035 ppm2      1.045 CV     1
 ASSI { 2069}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.800     0.800 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.39012E-02 ppm1      3.621 ppm2      0.479 CV     1
 ASSI { 2070}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.400     0.700     0.700 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.59424E-02 ppm1      3.622 ppm2      1.624 CV     1
 OR { 2070}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2071}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.600     0.800     0.800 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.58814E-02 ppm1      4.781 ppm2      1.417 CV     1
 ASSI { 2072}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.23564E-02 ppm1      3.569 ppm2      8.817 CV     1
 ASSI { 2073}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.38686E-02 ppm1      4.231 ppm2      8.952 CV     1
 ASSI { 2074}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.17237E-02 ppm1      4.232 ppm2      8.451 CV     1
 ASSI { 2075}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.65811E-03 ppm1      4.230 ppm2      8.261 CV     1
 ASSI { 2076}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      4.300     2.300     1.700 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.48477E-03 ppm1      4.226 ppm2      8.161 CV     1
 ASSI { 2077}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.600     1.600 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.86692E-03 ppm1      4.232 ppm2      7.877 CV     1
 ASSI { 2079}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.49562E-03 ppm1      3.566 ppm2      8.368 CV     1
 ASSI { 2081}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.42534E-03 ppm1      3.570 ppm2      7.223 CV     1
 ASSI { 2082}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.300     0.700     0.700 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.83499E-02 ppm1      4.233 ppm2      4.345 CV     1
 ASSI { 2083}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      4.800     2.900     1.200 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.37253E-03 ppm1      3.575 ppm2      3.207 CV     1
 OR { 2083}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2085}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.700     1.700     1.700 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.52808E-03 ppm1      3.569 ppm2      1.861 CV     1
 ASSI { 2086}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.42601E-02 ppm1      3.567 ppm2      2.036 CV     1
 OR { 2086}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2087}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.25241E-02 ppm1      4.229 ppm2      1.636 CV     1
 ASSI { 2088}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.21241E-02 ppm1      4.233 ppm2      1.502 CV     1
 OR { 2088}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2095}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.300     2.300     1.700 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.59638E-03 ppm1      4.228 ppm2      0.278 CV     1
 ASSI { 2096}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.200     1.300     1.300 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.18273E-02 ppm1      4.231 ppm2      0.436 CV     1
 ASSI { 2100}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.39282E-02 ppm1      4.367 ppm2      8.071 CV     1
 ASSI { 2104}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.10448E-01 ppm1      4.452 ppm2      9.119 CV     1
 ASSI { 2105}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      4.400     2.500     1.600 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.58882E-03 ppm1      4.454 ppm2      5.263 CV     1
 ASSI { 2107}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.800     2.800     1.200 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.92061E-03 ppm1      4.454 ppm2      2.978 CV     1
 ASSI { 2108}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.900     3.000     1.100 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.53502E-03 ppm1      4.462 ppm2      2.836 CV     1
 ASSI { 2109}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.300     0.700     0.700 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.52142E-02 ppm1      4.452 ppm2      2.352 CV     1
 ASSI { 2110}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.200     2.200     1.800 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.44030E-03 ppm1      4.370 ppm2      2.381 CV     1
 OR { 2110}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2112}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.200     1.200 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.20982E-02 ppm1      4.517 ppm2      8.250 CV     1
 ASSI { 2118}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.600     0.800     0.800 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.49956E-02 ppm1      4.514 ppm2      4.381 CV     1
 ASSI { 2120}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      2.300     0.700     0.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.82596E-02 ppm1      4.453 ppm2      1.117 CV     1
 OR { 2120}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2121}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.800     1.000     1.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.40403E-02 ppm1      4.516 ppm2      1.239 CV     1
 ASSI { 2123}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.100     0.500     0.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.14544E-01 ppm1      4.389 ppm2      8.164 CV     1
 ASSI { 2127}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.800     0.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.37343E-02 ppm1      4.536 ppm2      2.394 CV     1
 ASSI { 2128}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.600     0.800     0.800 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.60405E-02 ppm1      4.389 ppm2      1.377 CV     1
 ASSI { 2129}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.400     2.500     1.600 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.18537E-02 ppm1      4.394 ppm2      1.610 CV     1
 ASSI { 2130}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      3.900     1.900     1.900 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.12529E-02 ppm1      4.391 ppm2      1.719 CV     1
 ASSI { 2131}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      3.900     1.900     1.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.75844E-03 ppm1      4.541 ppm2      1.498 CV     1
 ASSI { 2133}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.600     0.800     0.800 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.41287E-02 ppm1      4.538 ppm2      1.048 CV     1
 ASSI { 2136}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.100     1.100 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.27351E-02 ppm1      4.101 ppm2      8.207 CV     1
 OR { 2136}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2137}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.65722E-02 ppm1      4.099 ppm2      8.074 CV     1
 OR { 2137}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2138}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.40679E-03 ppm1      4.099 ppm2      8.802 CV     1
 OR { 2138}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 2140}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.19269E-02 ppm1      4.336 ppm2      8.105 CV     1
 ASSI { 2142}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.17483E-02 ppm1      4.377 ppm2      8.352 CV     1
 ASSI { 2144}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.500     0.500 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.12802E-01 ppm1      4.537 ppm2      8.689 CV     1
 ASSI { 2146}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.300     0.700     0.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.46871E-02 ppm1      4.379 ppm2      7.184 CV     1
 ASSI { 2148}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.10429E-02 ppm1      4.378 ppm2      7.723 CV     1
 ASSI { 2149}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.600     0.600 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.18096E-01 ppm1      4.099 ppm2      4.365 CV     1
 OR { 2149}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2150}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.600     0.800     0.800 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.46789E-02 ppm1      4.335 ppm2      4.210 CV     1
 ASSI { 2151}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.25262E-02 ppm1      4.378 ppm2      3.522 CV     1
 ASSI { 2152}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.100     1.100 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.21893E-02 ppm1      4.380 ppm2      3.110 CV     1
 ASSI { 2153}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.39115E-02 ppm1      4.538 ppm2      2.100 CV     1
 OR { 2153}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 2153}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2155}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      4.900     3.000     1.100 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.71821E-03 ppm1      4.377 ppm2      2.393 CV     1
 ASSI { 2156}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      4.700     2.800     1.300 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.60666E-03 ppm1      4.100 ppm2      2.368 CV     1
 OR { 2156}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HB1 ))
 OR { 2156}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2157}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.900     3.000     1.100 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.67329E-03 ppm1      4.531 ppm2      2.789 CV     1
 OR { 2157}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2159}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      3.000     1.100     1.100 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.34278E-02 ppm1      4.332 ppm2      1.252 CV     1
 ASSI { 2161}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.500     0.800     0.800 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.29285E-02 ppm1      4.379 ppm2      0.902 CV     1
 OR { 2161}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2165}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      4.043 ppm2      8.574 CV     1
 ASSI { 2166}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      3.975 ppm2      8.564 CV     1
 ASSI { 2167}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      4.042 ppm2      8.283 CV     1
 ASSI { 2170}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.38718E-03 ppm1      3.935 ppm2      8.122 CV     1
 ASSI { 2172}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.18521E-02 ppm1      4.047 ppm2      7.813 CV     1
 ASSI { 2174}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      4.200     2.200     1.800 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.73241E-03 ppm1      3.938 ppm2      7.780 CV     1
 ASSI { 2175}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.34611E-02 ppm1      3.805 ppm2      4.800 CV     1
 ASSI { 2176}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.31516E-02 ppm1      3.751 ppm2      4.799 CV     1
 ASSI { 2177}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.700     2.800     1.300 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.49843E-03 ppm1      3.804 ppm2      4.624 CV     1
 ASSI { 2178}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      5.300     3.500     0.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.35002E-03 ppm1      3.746 ppm2      4.625 CV     1
 ASSI { 2180}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.88205E-02 ppm1      3.975 ppm2      4.311 CV     1
 ASSI { 2186}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.36308E-03 ppm1      4.047 ppm2      2.346 CV     1
 ASSI { 2187}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.37190E-03 ppm1      4.123 ppm2      2.342 CV     1
 ASSI { 2191}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.47707E-02 ppm1      3.936 ppm2      2.239 CV     1
 ASSI { 2192}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.700     2.700     1.300 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.65659E-03 ppm1      3.935 ppm2      2.063 CV     1
 ASSI { 2193}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.800     2.900     1.200 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      3.937 ppm2      1.868 CV     1
 ASSI { 2194}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.700     0.900     0.900 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.15173E-02 ppm1      3.936 ppm2      1.735 CV     1
 OR { 2194}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2197}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      4.900     3.000     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.38114E-03 ppm1      3.938 ppm2      1.443 CV     1
 ASSI { 2200}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      4.600     2.600     1.400 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.40300E-03 ppm1      3.935 ppm2      1.129 CV     1
 OR { 2200}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2203}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.11230E-02 ppm1      3.747 ppm2      8.879 CV     1
 ASSI { 2205}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.13149E-02 ppm1      3.746 ppm2      7.630 CV     1
 ASSI { 2207}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.300     1.300     1.300 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.33980E-02 ppm1      3.749 ppm2      1.759 CV     1
 ASSI { 2208}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      2.600     0.800     0.800 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.40201E-02 ppm1      3.749 ppm2      1.632 CV     1
 ASSI { 2209}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.600     0.900     0.900 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.46306E-02 ppm1      3.748 ppm2      1.250 CV     1
 ASSI { 2212}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      5.000     3.100     1.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.33612E-03 ppm1      3.747 ppm2      0.601 CV     1
 OR { 2212}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2213}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.36990E-02 ppm1      4.339 ppm2      8.949 CV     1
 ASSI { 2214}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.30367E-02 ppm1      4.191 ppm2      8.950 CV     1
 ASSI { 2215}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.70162E-03 ppm1      4.228 ppm2      8.749 CV     1
 ASSI { 2217}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.28813E-02 ppm1      3.940 ppm2      8.453 CV     1
 ASSI { 2221}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.78030E-03 ppm1      4.340 ppm2      7.873 CV     1
 ASSI { 2222}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.91502E-03 ppm1      4.190 ppm2      7.874 CV     1
 ASSI { 2223}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.400     0.700     0.700 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.49573E-02 ppm1      4.232 ppm2      6.894 CV     1
 ASSI { 2224}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.600     2.600     1.400 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.63802E-03 ppm1      4.229 ppm2      7.214 CV     1
 ASSI { 2225}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      1.700     0.300     0.500 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.21118E-01 ppm1      4.338 ppm2      4.200 CV     1
 ASSI { 2227}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      4.500     2.600     1.500 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.71529E-03 ppm1      4.339 ppm2      3.468 CV     1
 ASSI { 2228}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      5.200     3.300     0.800 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.33191E-03 ppm1      4.345 ppm2      3.279 CV     1
 ASSI { 2229}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28A))
      4.700     2.800     1.300 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.11749E-02 ppm1      4.189 ppm2      3.470 CV     1
 ASSI { 2230}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.100     3.300     0.900 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.63092E-03 ppm1      4.232 ppm2      3.332 CV     1
 ASSI { 2231}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
      4.600     2.700     1.400 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.35748E-03 ppm1      4.198 ppm2      3.279 CV     1
 ASSI { 2233}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.36037E-02 ppm1      4.232 ppm2      2.437 CV     1
 ASSI { 2234}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.100     0.500     0.500 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.66379E-02 ppm1      4.232 ppm2      2.256 CV     1
 ASSI { 2235}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.100     1.100 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.28230E-02 ppm1      4.232 ppm2      2.027 CV     1
 ASSI { 2237}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.900     1.900     1.900 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.80154E-03 ppm1      3.928 ppm2      0.790 CV     1
 ASSI { 2239}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.900     1.100     1.100 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.48914E-02 ppm1      3.928 ppm2      1.047 CV     1
 ASSI { 2244}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.600     1.600 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.19729E-02 ppm1      4.232 ppm2      1.408 CV     1
 ASSI { 2245}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     1.100     1.100 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.25474E-02 ppm1      4.231 ppm2      1.682 CV     1
 ASSI { 2249}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      3.870 ppm2      8.037 CV     1
 ASSI { 2252}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.54603E-03 ppm1      3.866 ppm2      8.224 CV     1
 ASSI { 2253}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.700     1.700     1.700 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.68941E-03 ppm1      3.868 ppm2      7.328 CV     1
 OR { 2253}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 2254}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.600     1.500 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.27742E-03 ppm1      3.870 ppm2      7.207 CV     1
 ASSI { 2255}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.17563E-02 ppm1      3.868 ppm2      2.305 CV     1
 ASSI { 2257}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      4.900     3.000     1.100 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.38091E-03 ppm1      3.867 ppm2      1.903 CV     1
 ASSI { 2258}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.600     1.600     1.600 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.96188E-03 ppm1      3.867 ppm2      0.477 CV     1
 ASSI { 2260}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.700     1.700 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.89055E-03 ppm1      3.867 ppm2      1.120 CV     1
 ASSI { 2263}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.700     1.700 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.93177E-03 ppm1      3.953 ppm2      8.661 CV     1
 ASSI { 2265}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      3.951 ppm2      8.324 CV     1
 ASSI { 2267}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.100     1.200     1.200 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      3.956 ppm2      4.402 CV     1
 ASSI { 2270}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.600     1.600     1.600 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.62925E-03 ppm1      3.951 ppm2      3.292 CV     1
 ASSI { 2272}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.400     1.500     1.500 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.14819E-02 ppm1      3.952 ppm2      2.007 CV     1
 OR { 2272}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2273}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.59826E-02 ppm1      3.952 ppm2      1.111 CV     1
 ASSI { 2274}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.000     3.100     1.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.34702E-03 ppm1      3.953 ppm2      1.740 CV     1
 ASSI { 2276}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.400     1.500     1.500 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.32135E-03 ppm1      3.953 ppm2      0.751 CV     1
 ASSI { 2277}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     0.900     0.900 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.24152E-02 ppm1      4.417 ppm2      8.328 CV     1
 ASSI { 2278}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.26658E-02 ppm1      4.416 ppm2      8.662 CV     1
 ASSI { 2279}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.29579E-02 ppm1      4.315 ppm2      8.839 CV     1
 ASSI { 2280}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.27698E-02 ppm1      4.316 ppm2      8.227 CV     1
 ASSI { 2282}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.73621E-03 ppm1      4.315 ppm2      7.218 CV     1
 ASSI { 2286}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 49   and name HB% )
      4.600     2.600     1.400 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.58167E-03 ppm1      4.410 ppm2      1.535 CV     1
 ASSI { 2294}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      4.300     2.300     1.700 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.91831E-03 ppm1      4.206 ppm2      8.596 CV     1
 ASSI { 2297}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.600     0.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.10062E-01 ppm1      4.183 ppm2      4.383 CV     1
 ASSI { 2301}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      2.400     0.700     0.700 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.91304E-02 ppm1      4.371 ppm2      1.237 CV     1
 ASSI { 2303}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.73809E-02 ppm1      4.183 ppm2      1.377 CV     1
 ASSI { 2305}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.13208E-02 ppm1      4.596 ppm2      9.007 CV     1
 ASSI { 2306}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.43192E-02 ppm1      4.590 ppm2      4.902 CV     1
 ASSI { 2307}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.15193E-02 ppm1      4.590 ppm2      5.044 CV     1
 ASSI { 2308}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.100     1.200     1.200 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.36910E-02 ppm1      4.591 ppm2      4.052 CV     1
 ASSI { 2310}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
      2.200     0.600     0.600 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.75510E-02 ppm1      4.592 ppm2      1.041 CV     1
 ASSI { 2311}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.32520E-02 ppm1      6.810 ppm2      0.613 CV     1
 OR { 2311}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2312}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.20847E-02 ppm1      6.758 ppm2      0.751 CV     1
 ASSI { 2316}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.74738E-02 ppm1      6.808 ppm2      1.009 CV     1
 ASSI { 2319}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.400     1.400 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.82246E-03 ppm1      6.757 ppm2      1.253 CV     1
 OR { 2319}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 2327}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      3.900     1.900     1.900 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.42283E-03 ppm1      6.756 ppm2      1.984 CV     1
 ASSI { 2328}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.400     1.500     1.500 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.79110E-03 ppm1      6.811 ppm2      1.866 CV     1
 ASSI { 2329}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HG  ))
      3.300     1.300     1.300 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.42660E-03 ppm1      6.809 ppm2      2.048 CV     1
 ASSI { 2330}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.900     1.900     1.900 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      6.755 ppm2      2.404 CV     1
 ASSI { 2331}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.200     2.200     1.800 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.94299E-03 ppm1      6.812 ppm2      2.828 CV     1
 ASSI { 2332}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB2 ))
      4.800     2.900     1.200 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.35311E-03 ppm1      6.811 ppm2      2.677 CV     1
 ASSI { 2333}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.600     2.600     1.400 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.50183E-03 ppm1      6.755 ppm2      2.946 CV     1
 ASSI { 2340}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      3.200     3.200     2.800 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.52130E-03 ppm1      6.818 ppm2      4.718 CV     1
 ASSI { 2341}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      4.000     2.000     2.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.58146E-03 ppm1      6.814 ppm2      4.548 CV     1
 ASSI { 2342}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.15285E-02 ppm1      6.813 ppm2      4.309 CV     1
 ASSI { 2343}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.14055E-02 ppm1      6.758 ppm2      4.368 CV     1
 ASSI { 2349}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 56   and name HD% )
      1.900     0.400     0.400 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.20352E-01 ppm1      6.811 ppm2      7.414 CV     1
 ASSI { 2354}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.600     2.600     1.400 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.31498E-03 ppm1      6.908 ppm2      0.745 CV     1
 ASSI { 2355}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HG2 ))
      5.600     3.900     0.400 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.20784E-03 ppm1      6.909 ppm2      1.406 CV     1
 ASSI { 2357}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.500     1.500 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.42350E-03 ppm1      6.895 ppm2      1.675 CV     1
 ASSI { 2363}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.400     1.600 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.37869E-03 ppm1      7.335 ppm2      1.115 CV     1
 ASSI { 2365}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.56732E-03 ppm1      7.333 ppm2      1.381 CV     1
 ASSI { 2366}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     1.400     1.400 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.67209E-03 ppm1      7.330 ppm2      2.036 CV     1
 OR { 2366}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2367}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.900     1.900     1.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.27226E-03 ppm1      7.324 ppm2      2.289 CV     1
 ASSI { 2369}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 30   and name HE% )
      2.500     0.800     0.800 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.31819E-02 ppm1      7.332 ppm2      7.220 CV     1
 ASSI { 2373}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.27651E-03 ppm1      7.330 ppm2      8.824 CV     1
 ASSI { 2376}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD1%)
      4.000     2.000     2.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.45874E-03 ppm1      7.220 ppm2      0.686 CV     1
 ASSI { 2377}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.700     1.700     1.700 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.92238E-03 ppm1      7.224 ppm2      0.480 CV     1
 ASSI { 2378}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      4.100     2.100     1.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.27746E-03 ppm1      6.973 ppm2      0.274 CV     1
 ASSI { 2381}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.400     1.500     1.500 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.80514E-03 ppm1      6.966 ppm2      0.751 CV     1
 ASSI { 2382}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG2 ))
      4.400     2.400     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.46778E-03 ppm1      7.220 ppm2      1.236 CV     1
 ASSI { 2388}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
      3.300     1.300     1.300 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.85126E-03 ppm1      7.222 ppm2      1.891 CV     1
 ASSI { 2390}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HD2 ))
      4.600     2.700     1.400 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.22085E-03 ppm1      7.218 ppm2      3.213 CV     1
 OR { 2390}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2393}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      6.966 ppm2      4.234 CV     1
 ASSI { 2394}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      1.800     0.400     0.400 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.19116E-01 ppm1      7.223 ppm2      7.321 CV     1
 OR { 2394}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2409}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 40   and name HE% )
      1.800     0.400     0.400 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.25268E-01 ppm1      6.995 ppm2      6.753 CV     1
 ASSI { 2411}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 41   and name HN  ))
      4.400     2.400     1.600 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.46558E-03 ppm1      6.994 ppm2      8.082 CV     1
 ASSI { 2416}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.33994E-02 ppm1      6.996 ppm2      2.846 CV     1
 ASSI { 2418}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.300     0.700     0.700 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.20887E-02 ppm1      6.995 ppm2      1.846 CV     1
 ASSI { 2422}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.15941E-02 ppm1      6.996 ppm2      0.903 CV     1
 ASSI { 2423}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.600     1.600     1.600 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      6.996 ppm2      0.748 CV     1
 ASSI { 2424}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.47248E-03 ppm1      6.995 ppm2      0.434 CV     1
 ASSI { 2425}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.400     1.400 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      6.996 ppm2      0.277 CV     1
 ASSI { 2426}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD1%)
      3.100     1.200     1.200 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.18192E-02 ppm1      7.318 ppm2      0.695 CV     1
 ASSI { 2433}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG1 ))
      3.000     1.100     1.100 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.28616E-02 ppm1      7.317 ppm2      2.224 CV     1
 ASSI { 2437}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HD2 ))
      5.500     3.800     0.500 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.15915E-03 ppm1      7.311 ppm2      3.188 CV     1
 ASSI { 2438}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.79168E-03 ppm1      7.315 ppm2      4.843 CV     1
 ASSI { 2440}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 30   and name HE% )
      1.900     0.400     0.400 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.15591E-01 ppm1      7.316 ppm2      7.213 CV     1
 ASSI { 2442}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      7.415 ppm2      8.062 CV     1
 ASSI { 2450}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.36540E-03 ppm1      7.413 ppm2      2.210 CV     1
 ASSI { 2452}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.91315E-03 ppm1      7.417 ppm2      1.418 CV     1
 ASSI { 2453}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.600     1.600     1.600 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.14724E-02 ppm1      7.418 ppm2      0.612 CV     1
 OR { 2453}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2456}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HD1%)
      4.100     2.100     1.900 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.47070E-03 ppm1      7.413 ppm2      0.818 CV     1
 ASSI { 2461}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.600     0.600 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.92259E-02 ppm1      1.659 ppm2      7.728 CV     1
 ASSI { 2463}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.74628E-03 ppm1      4.082 ppm2      2.830 CV     1
 OR { 2463}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2463}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2463}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2464}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
      4.800     2.900     1.200 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.28482E-03 ppm1      0.628 ppm2      1.108 CV     1
 ASSI { 2468}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.19327E-02 ppm1      0.859 ppm2      0.588 CV     1
 ASSI { 2471}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.37765E-02 ppm1      1.012 ppm2      0.610 CV     1
 OR { 2471}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2473}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.25156E-02 ppm1      1.015 ppm2      1.437 CV     1
 ASSI { 2476}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.500     1.500     1.500 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.25157E-02 ppm1      1.045 ppm2      2.293 CV     1
 ASSI { 2477}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      4.900     3.000     1.100 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.14501E-03 ppm1      1.047 ppm2      3.896 CV     1
 ASSI { 2483}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.46204E-03 ppm1      0.597 ppm2      4.199 CV     1
 ASSI {    1}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.12581E-02 ppm1      9.065 ppm2      1.865 CV     1
 ASSI {    2}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.000     1.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      9.065 ppm2      1.634 CV     1
 OR {    2}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {    3}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.700     1.700     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.93631E-03 ppm1      9.065 ppm2      1.532 CV     1
 ASSI {    5}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      3.200     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.52970E-03 ppm1      9.063 ppm2      0.789 CV     1
 ASSI {    8}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.36522E-02 ppm1      9.064 ppm2      6.906 CV     1
 OR {    8}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
 OR {    8}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 OR {    8}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI {    9}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.600     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.31997E-02 ppm1      7.330 ppm2      3.206 CV     1
 OR {    9}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {   10}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.10011E-02 ppm1      7.330 ppm2      2.048 CV     1
 OR {   10}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   11}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.300     1.400     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.91127E-03 ppm1      7.329 ppm2      1.404 CV     1
 ASSI {   15}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.63050E-03 ppm1      7.330 ppm2      4.616 CV     1
 ASSI {   18}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.900     1.900     1.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.56074E-03 ppm1      7.898 ppm2      2.197 CV     1
 ASSI {   19}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.600     1.600     1.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.48700E-03 ppm1      7.902 ppm2      1.939 CV     1
 ASSI {   20}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.500     2.500     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.31267E-03 ppm1      7.897 ppm2      1.842 CV     1
 ASSI {   21}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.100     2.100     1.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.51508E-03 ppm1      7.901 ppm2      1.631 CV     1
 ASSI {   25}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.200     1.300     1.300 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12371E-02 ppm1      7.504 ppm2      3.300 CV     1
 ASSI {   26}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.700     1.700     1.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.75270E-03 ppm1      7.504 ppm2      2.023 CV     1
 OR {   26}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {   27}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.35021E-03 ppm1      7.507 ppm2      1.919 CV     1
 ASSI {   28}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.000     2.000     2.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.38841E-03 ppm1      7.505 ppm2      1.697 CV     1
 ASSI {   30}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.54681E-03 ppm1      7.429 ppm2      2.056 CV     1
 ASSI {   31}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.400     1.500     1.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.60123E-03 ppm1      7.564 ppm2      1.996 CV     1
 ASSI {   32}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.600     2.600     1.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.42424E-03 ppm1      7.568 ppm2      1.733 CV     1
 ASSI {   33}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.800     1.800     1.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.35128E-03 ppm1      7.176 ppm2      1.352 CV     1
 ASSI {   34}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.200     2.200     1.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.28573E-03 ppm1      7.176 ppm2      0.953 CV     1
 ASSI {   36}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      4.000     2.000     2.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.30854E-03 ppm1      7.180 ppm2      3.083 CV     1
 ASSI {   38}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HB2 ))
      3.800     1.800     1.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10977E-02 ppm1      6.888 ppm2      1.636 CV     1
 OR {   38}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {   38}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {   39}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.200     2.200     1.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.64924E-03 ppm1      6.896 ppm2      1.531 CV     1
 ASSI {   41}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD2 ))
      3.200     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      6.886 ppm2      3.024 CV     1
 OR {   41}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {   43}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.900     1.900     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.85972E-03 ppm1      7.749 ppm2      2.396 CV     1
 ASSI {   44}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.65044E-03 ppm1      7.749 ppm2      1.846 CV     1
 ASSI {   45}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.400     2.500     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.51866E-03 ppm1      7.749 ppm2      1.510 CV     1
 ASSI {   46}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak    46 spectrum    1 weight  0.10000E+01 volume  0.64136E-03 ppm1      7.750 ppm2      1.043 CV     1
 ASSI {   47}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.600     3.900     0.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.29471E-03 ppm1      7.753 ppm2      0.918 CV     1
 ASSI {   50}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.400     0.700     0.700 peak    50 spectrum    1 weight  0.10000E+01 volume  0.54786E-02 ppm1      7.749 ppm2      3.850 CV     1
 ASSI {   51}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.15861E-02 ppm1      7.751 ppm2      4.538 CV     1
 ASSI {   52}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.11230E-02 ppm1      7.751 ppm2      7.592 CV     1
 ASSI {   53}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.45865E-02 ppm1      7.750 ppm2      7.960 CV     1
 ASSI {   55}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.26320E-02 ppm1      8.237 ppm2      7.854 CV     1
 ASSI {   56}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.300     1.300 peak    56 spectrum    1 weight  0.10000E+01 volume  0.18586E-02 ppm1      8.238 ppm2      8.506 CV     1
 ASSI {   57}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.77770E-02 ppm1      8.237 ppm2      4.065 CV     1
 OR {   57}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {   59}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.37612E-02 ppm1      8.237 ppm2      4.365 CV     1
 ASSI {   62}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.500     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      8.237 ppm2      1.524 CV     1
 ASSI {   64}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD2%)
      3.000     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.17669E-02 ppm1      7.652 ppm2      0.885 CV     1
 ASSI {   66}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.52102E-03 ppm1      7.412 ppm2      0.967 CV     1
 ASSI {   70}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      4.600     2.700     1.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.46386E-03 ppm1      7.653 ppm2      1.487 CV     1
 ASSI {   71}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.16289E-02 ppm1      7.651 ppm2      1.699 CV     1
 ASSI {   72}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.600     1.600     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      7.411 ppm2      1.707 CV     1
 ASSI {   74}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.96251E-03 ppm1      7.407 ppm2      1.393 CV     1
 ASSI {   77}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.14376E-02 ppm1      7.408 ppm2      3.093 CV     1
 ASSI {   79}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      3.200     3.200     2.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.45176E-03 ppm1      7.651 ppm2      4.497 CV     1
 ASSI {   83}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.98781E-03 ppm1      7.650 ppm2      8.878 CV     1
 ASSI {   84}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.25481E-02 ppm1      7.450 ppm2      1.115 CV     1
 OR {   84}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {   85}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     1.100     1.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.24840E-02 ppm1      7.449 ppm2      1.036 CV     1
 ASSI {   86}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.71576E-03 ppm1      7.447 ppm2      2.597 CV     1
 ASSI {   88}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.24162E-02 ppm1      7.450 ppm2      2.288 CV     1
 ASSI {   89}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.500     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.16772E-02 ppm1      7.450 ppm2      2.968 CV     1
 ASSI {   90}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.500     1.500     1.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13942E-02 ppm1      7.449 ppm2      2.841 CV     1
 ASSI {   91}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.17024E-02 ppm1      7.449 ppm2      4.452 CV     1
 ASSI {   94}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.14702E-02 ppm1      7.449 ppm2      4.901 CV     1
 ASSI {   96}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.79695E-02 ppm1      7.449 ppm2      9.117 CV     1
 ASSI {   99}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.18549E-02 ppm1      8.482 ppm2      8.111 CV     1
 ASSI {  100}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.400     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.86160E-02 ppm1      8.481 ppm2      4.073 CV     1
 OR {  100}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  101}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.000     1.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.35455E-02 ppm1      8.480 ppm2      4.719 CV     1
 ASSI {  102}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.400     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      8.480 ppm2      2.826 CV     1
 OR {  102}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  103}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      4.000     2.000     2.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.64042E-03 ppm1      8.483 ppm2      1.237 CV     1
 ASSI {  104}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.300     2.300     1.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.56507E-03 ppm1      7.948 ppm2      0.964 CV     1
 ASSI {  105}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.63890E-03 ppm1      7.948 ppm2      2.834 CV     1
 ASSI {  108}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.83952E-03 ppm1      7.947 ppm2      4.365 CV     1
 ASSI {  111}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.300     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.59315E-02 ppm1      7.947 ppm2      8.058 CV     1
 ASSI {  112}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.600     1.600     1.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.85784E-03 ppm1      7.944 ppm2      8.219 CV     1
 ASSI {  114}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.300     2.300     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.50997E-03 ppm1      8.347 ppm2      0.885 CV     1
 ASSI {  116}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.700     2.700     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.42455E-03 ppm1      8.347 ppm2      1.921 CV     1
 ASSI {  117}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.93250E-03 ppm1      8.346 ppm2      2.780 CV     1
 ASSI {  118}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.11876E-02 ppm1      8.347 ppm2      3.100 CV     1
 ASSI {  119}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.45151E-03 ppm1      8.348 ppm2      3.743 CV     1
 ASSI {  121}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.11539E-02 ppm1      8.347 ppm2      4.272 CV     1
 ASSI {  123}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.80869E-03 ppm1      8.348 ppm2      4.897 CV     1
 ASSI {  124}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.39526E-02 ppm1      8.347 ppm2      7.633 CV     1
 ASSI {  126}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      8.555 ppm2      8.284 CV     1
 ASSI {  134}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.32975E-02 ppm1      8.556 ppm2      4.276 CV     1
 ASSI {  135}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.20082E-02 ppm1      8.030 ppm2      7.546 CV     1
 ASSI {  136}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.36345E-02 ppm1      8.031 ppm2      7.222 CV     1
 ASSI {  137}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.15841E-02 ppm1      8.031 ppm2      5.048 CV     1
 ASSI {  138}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.800     2.800     1.200 peak   138 spectrum    1 weight  0.10000E+01 volume  0.22330E-03 ppm1      8.033 ppm2      4.721 CV     1
 ASSI {  139}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      5.400     3.600     0.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.25053E-03 ppm1      8.029 ppm2      4.338 CV     1
 ASSI {  140}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.300     1.400     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.15413E-02 ppm1      8.030 ppm2      3.037 CV     1
 ASSI {  143}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      4.600     2.600     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.91722E-03 ppm1      8.032 ppm2      1.782 CV     1
 OR {  143}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  144}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.15752E-02 ppm1      8.033 ppm2      1.636 CV     1
 ASSI {  146}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.600     2.600     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.38350E-03 ppm1      8.031 ppm2      0.956 CV     1
 ASSI {  147}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.300     3.500     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.17272E-03 ppm1      8.026 ppm2      0.479 CV     1
 ASSI {  148}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak   148 spectrum    1 weight  0.10000E+01 volume  0.43343E-03 ppm1      8.036 ppm2      0.793 CV     1
 ASSI {  153}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.300     1.400     1.400 peak   153 spectrum    1 weight  0.10000E+01 volume  0.27578E-02 ppm1      8.060 ppm2      2.362 CV     1
 OR {  153}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  154}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.34751E-02 ppm1      8.051 ppm2      2.827 CV     1
 ASSI {  156}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.600     1.700     1.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.21173E-02 ppm1      8.051 ppm2      3.452 CV     1
 ASSI {  159}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.11628E-02 ppm1      8.061 ppm2      4.257 CV     1
 ASSI {  161}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HE% )
      4.600     2.600     1.400 peak   161 spectrum    1 weight  0.10000E+01 volume  0.52297E-03 ppm1      8.050 ppm2      6.814 CV     1
 ASSI {  164}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.39812E-02 ppm1      8.062 ppm2      8.805 CV     1
 ASSI {  168}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.34410E-02 ppm1      7.423 ppm2      7.957 CV     1
 ASSI {  170}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.70767E-03 ppm1      7.425 ppm2      8.461 CV     1
 ASSI {  172}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.39216E-02 ppm1      7.425 ppm2      4.127 CV     1
 ASSI {  173}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.500     2.500     1.500 peak   173 spectrum    1 weight  0.10000E+01 volume  0.52871E-03 ppm1      7.425 ppm2      3.448 CV     1
 ASSI {  174}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.61882E-03 ppm1      7.425 ppm2      2.825 CV     1
 ASSI {  175}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.000     2.000     2.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.53935E-03 ppm1      7.425 ppm2      2.354 CV     1
 OR {  175}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  176}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.600     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.16928E-02 ppm1      7.425 ppm2      2.114 CV     1
 ASSI {  177}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.600     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.56012E-02 ppm1      7.424 ppm2      0.928 CV     1
 ASSI {  184}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      4.000     2.000     2.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.62654E-03 ppm1      9.083 ppm2      0.616 CV     1
 OR {  184}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  185}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      3.700     1.700     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.86697E-03 ppm1      9.085 ppm2      1.566 CV     1
 OR {  185}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  192}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.23631E-02 ppm1      8.942 ppm2      7.873 CV     1
 ASSI {  196}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.64783E-02 ppm1      8.941 ppm2      3.267 CV     1
 ASSI {  199}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.96903E-03 ppm1      8.239 ppm2      2.232 CV     1
 ASSI {  200}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.200     2.200     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.68774E-03 ppm1      8.238 ppm2      2.063 CV     1
 ASSI {  201}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.600     2.600     1.400 peak   201 spectrum    1 weight  0.10000E+01 volume  0.47459E-03 ppm1      8.236 ppm2      2.402 CV     1
 OR {  201}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  204}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.300     1.400     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.14577E-02 ppm1      8.239 ppm2      4.365 CV     1
 ASSI {  207}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.32540E-02 ppm1      7.799 ppm2      8.257 CV     1
 ASSI {  210}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak   210 spectrum    1 weight  0.10000E+01 volume  0.15286E-02 ppm1      7.800 ppm2      4.182 CV     1
 ASSI {  211}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.34228E-02 ppm1      7.799 ppm2      4.127 CV     1
 ASSI {  216}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      7.802 ppm2      2.137 CV     1
 ASSI {  217}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      5.000     3.200     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.30876E-03 ppm1      7.801 ppm2      2.623 CV     1
 ASSI {  218}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.400     2.500     1.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.70580E-03 ppm1      7.801 ppm2      1.539 CV     1
 ASSI {  221}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.900     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.22578E-02 ppm1      7.703 ppm2      1.049 CV     1
 ASSI {  224}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.14261E-02 ppm1      7.703 ppm2      2.391 CV     1
 ASSI {  225}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.10217E-02 ppm1      7.703 ppm2      3.038 CV     1
 ASSI {  227}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.17843E-02 ppm1      7.704 ppm2      4.531 CV     1
 ASSI {  228}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     1.500     1.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.94325E-03 ppm1      7.702 ppm2      4.830 CV     1
 ASSI {  230}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.55579E-02 ppm1      7.704 ppm2      7.611 CV     1
 ASSI {  231}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.19957E-02 ppm1      7.702 ppm2      7.776 CV     1
 ASSI {  234}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.21347E-02 ppm1      8.828 ppm2      8.233 CV     1
 ASSI {  235}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.65618E-03 ppm1      8.829 ppm2      9.100 CV     1
 ASSI {  236}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.62190E-02 ppm1      8.829 ppm2      4.849 CV     1
 ASSI {  237}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.50175E-02 ppm1      8.828 ppm2      4.776 CV     1
 ASSI {  239}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.27711E-02 ppm1      8.828 ppm2      3.866 CV     1
 ASSI {  240}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.900     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.47444E-03 ppm1      8.828 ppm2      2.704 CV     1
 OR {  240}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  243}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.600     1.700     1.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.68816E-03 ppm1      8.827 ppm2      0.873 CV     1
 ASSI {  245}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.900     3.000     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.19353E-03 ppm1      8.828 ppm2      0.488 CV     1
 ASSI {  246}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.000     3.100     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.21537E-03 ppm1      8.275 ppm2      0.799 CV     1
 ASSI {  247}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.200     2.200     1.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.50145E-03 ppm1      8.273 ppm2      0.690 CV     1
 ASSI {  249}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   249 spectrum    1 weight  0.10000E+01 volume  0.22870E-02 ppm1      8.273 ppm2      3.971 CV     1
 ASSI {  251}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.34196E-02 ppm1      8.274 ppm2      4.363 CV     1
 ASSI {  256}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.19507E-02 ppm1      8.275 ppm2      8.470 CV     1
 ASSI {  257}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.37061E-02 ppm1      8.011 ppm2      7.729 CV     1
 ASSI {  258}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak   258 spectrum    1 weight  0.10000E+01 volume  0.11310E-02 ppm1      8.091 ppm2      8.599 CV     1
 ASSI {  261}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.20915E-02 ppm1      8.015 ppm2      8.818 CV     1
 ASSI {  262}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.700     2.700     1.300 peak   262 spectrum    1 weight  0.10000E+01 volume  0.22882E-03 ppm1      8.090 ppm2      4.727 CV     1
 ASSI {  264}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      3.200     1.200     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.24865E-02 ppm1      8.091 ppm2      4.208 CV     1
 ASSI {  265}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.800     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.39054E-02 ppm1      8.092 ppm2      4.072 CV     1
 OR {  265}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  268}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.43959E-03 ppm1      8.014 ppm2      4.625 CV     1
 ASSI {  269}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.600     1.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.78328E-03 ppm1      8.011 ppm2      4.536 CV     1
 ASSI {  270}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.54019E-03 ppm1      8.013 ppm2      3.553 CV     1
 ASSI {  271}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      4.100     2.100     1.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.25804E-03 ppm1      8.092 ppm2      2.838 CV     1
 OR {  271}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  272}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.600     3.600     2.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.24803E-03 ppm1      8.012 ppm2      2.703 CV     1
 OR {  272}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  273}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.20403E-02 ppm1      8.092 ppm2      1.242 CV     1
 ASSI {  278}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.22902E-02 ppm1      8.015 ppm2      1.922 CV     1
 ASSI {  279}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.200     2.200     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.36075E-03 ppm1      8.012 ppm2      1.215 CV     1
 ASSI {  282}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.25829E-02 ppm1      8.438 ppm2      1.418 CV     1
 ASSI {  283}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.100     1.200     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.27712E-02 ppm1      8.438 ppm2      1.932 CV     1
 ASSI {  284}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.40251E-02 ppm1      8.438 ppm2      1.833 CV     1
 ASSI {  285}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20793E-02 ppm1      8.439 ppm2      1.629 CV     1
 ASSI {  286}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.22396E-02 ppm1      8.438 ppm2      2.195 CV     1
 ASSI {  287}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      4.300     2.300     1.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.51831E-03 ppm1      8.442 ppm2      3.441 CV     1
 ASSI {  289}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.10071E-02 ppm1      8.437 ppm2      3.047 CV     1
 ASSI {  292}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.500     2.600     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.57280E-03 ppm1      8.437 ppm2      7.216 CV     1
 ASSI {  293}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.53382E-03 ppm1      8.439 ppm2      7.601 CV     1
 ASSI {  294}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.400     2.400     1.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.36562E-03 ppm1      8.438 ppm2      7.713 CV     1
 ASSI {  295}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.15492E-02 ppm1      8.438 ppm2      8.350 CV     1
 ASSI {  296}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.100     1.100 peak   296 spectrum    1 weight  0.10000E+01 volume  0.17846E-02 ppm1      7.809 ppm2      9.002 CV     1
 ASSI {  297}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.500     1.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.95254E-03 ppm1      7.806 ppm2      7.464 CV     1
 ASSI {  298}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.30005E-02 ppm1      7.809 ppm2      4.240 CV     1
 ASSI {  299}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.59048E-03 ppm1      7.809 ppm2      3.614 CV     1
 ASSI {  301}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.19182E-02 ppm1      7.808 ppm2      2.597 CV     1
 ASSI {  302}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      7.808 ppm2      2.516 CV     1
 ASSI {  303}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.23201E-02 ppm1      7.812 ppm2      2.292 CV     1
 ASSI {  304}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.19556E-02 ppm1      7.808 ppm2      1.612 CV     1
 ASSI {  305}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.800     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.43443E-03 ppm1      7.802 ppm2      1.534 CV     1
 ASSI {  306}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.66797E-03 ppm1      7.806 ppm2      1.877 CV     1
 ASSI {  307}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.700     2.800     1.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.70846E-03 ppm1      7.809 ppm2      1.118 CV     1
 OR {  307}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  309}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.800     2.900     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.34250E-03 ppm1      9.612 ppm2      0.424 CV     1
 ASSI {  311}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      5.200     3.400     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.29492E-03 ppm1      9.612 ppm2      1.619 CV     1
 ASSI {  313}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.800     2.900     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.44990E-03 ppm1      9.610 ppm2      1.938 CV     1
 ASSI {  314}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.38051E-02 ppm1      9.610 ppm2      2.154 CV     1
 ASSI {  315}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.700     0.900     0.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.33049E-02 ppm1      9.610 ppm2      2.487 CV     1
 OR {  315}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  316}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.600     0.800     0.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.41759E-02 ppm1      9.610 ppm2      2.228 CV     1
 ASSI {  317}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.21304E-02 ppm1      9.611 ppm2      3.106 CV     1
 ASSI {  318}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      9.611 ppm2      3.520 CV     1
 ASSI {  320}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.47341E-03 ppm1      9.611 ppm2      4.716 CV     1
 ASSI {  321}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.27047E-02 ppm1      9.610 ppm2      7.604 CV     1
 ASSI {  322}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.700     2.800     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.44281E-03 ppm1      9.612 ppm2      7.188 CV     1
 ASSI {  326}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.300     2.300     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.79429E-03 ppm1      8.499 ppm2      1.009 CV     1
 OR {  326}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  329}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.400     1.400     1.400 peak   329 spectrum    1 weight  0.10000E+01 volume  0.23171E-02 ppm1      8.498 ppm2      2.834 CV     1
 ASSI {  333}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      8.499 ppm2      4.474 CV     1
 ASSI {  334}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.30556E-02 ppm1      8.499 ppm2      7.506 CV     1
 ASSI {  336}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.59664E-02 ppm1      7.650 ppm2      7.774 CV     1
 ASSI {  338}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.22235E-02 ppm1      7.651 ppm2      4.452 CV     1
 ASSI {  339}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.32599E-02 ppm1      7.651 ppm2      4.606 CV     1
 ASSI {  341}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      5.100     3.300     0.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.35094E-03 ppm1      7.643 ppm2      3.938 CV     1
 ASSI {  342}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.400     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.25415E-02 ppm1      7.650 ppm2      2.352 CV     1
 ASSI {  344}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.90829E-03 ppm1      7.651 ppm2      1.865 CV     1
 ASSI {  345}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.700     1.700     1.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.55709E-03 ppm1      7.649 ppm2      1.742 CV     1
 OR {  345}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  346}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      2.200     0.600     0.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.73632E-02 ppm1      7.650 ppm2      1.119 CV     1
 OR {  346}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  349}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.400     1.400     1.400 peak   349 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      8.870 ppm2      0.795 CV     1
 ASSI {  350}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.000     2.000     2.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.13155E-02 ppm1      8.592 ppm2      1.590 CV     1
 ASSI {  351}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.400     1.400     1.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.11957E-02 ppm1      8.651 ppm2      1.646 CV     1
 ASSI {  352}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.47845E-02 ppm1      8.449 ppm2      2.114 CV     1
 ASSI {  355}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.37518E-02 ppm1      7.765 ppm2      1.870 CV     1
 ASSI {  360}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.800     2.900     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.76293E-03 ppm1      8.872 ppm2      1.759 CV     1
 ASSI {  363}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.600     0.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.47782E-02 ppm1      8.872 ppm2      1.927 CV     1
 ASSI {  364}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.13743E-02 ppm1      8.994 ppm2      2.027 CV     1
 ASSI {  365}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.900     0.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.33341E-02 ppm1      8.993 ppm2      1.865 CV     1
 ASSI {  366}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.26146E-02 ppm1      8.994 ppm2      1.622 CV     1
 ASSI {  367}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     2.400     1.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.47117E-03 ppm1      8.991 ppm2      0.792 CV     1
 ASSI {  370}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      4.800     2.900     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.36891E-03 ppm1      8.872 ppm2      1.255 CV     1
 ASSI {  372}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.33626E-02 ppm1      8.871 ppm2      2.782 CV     1
 ASSI {  374}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   374 spectrum    1 weight  0.10000E+01 volume  0.50722E-02 ppm1      8.872 ppm2      3.094 CV     1
 ASSI {  375}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.11199E-02 ppm1      8.994 ppm2      3.331 CV     1
 ASSI {  376}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.700     2.700     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.78156E-03 ppm1      8.871 ppm2      4.029 CV     1
 OR {  376}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  382}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.39216E-03 ppm1      8.868 ppm2      4.276 CV     1
 ASSI {  383}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.27565E-02 ppm1      8.871 ppm2      4.903 CV     1
 ASSI {  384}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      4.700     2.800     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.31877E-03 ppm1      8.995 ppm2      4.899 CV     1
 ASSI {  388}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.800     2.900     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.35622E-03 ppm1      8.997 ppm2      3.024 CV     1
 ASSI {  390}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.500     2.500     1.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.24168E-03 ppm1      8.985 ppm2      5.061 CV     1
 ASSI {  392}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      4.400     2.400     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.46200E-03 ppm1      8.873 ppm2      7.409 CV     1
 ASSI {  393}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.56278E-03 ppm1      8.871 ppm2      7.981 CV     1
 ASSI {  400}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.600     1.600     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.64950E-03 ppm1      8.654 ppm2      4.387 CV     1
 ASSI {  401}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.30068E-02 ppm1      8.653 ppm2      4.282 CV     1
 ASSI {  402}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak   402 spectrum    1 weight  0.10000E+01 volume  0.14644E-02 ppm1      8.653 ppm2      4.182 CV     1
 ASSI {  405}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.50606E-03 ppm1      8.596 ppm2      3.627 CV     1
 ASSI {  408}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.30214E-02 ppm1      8.589 ppm2      2.774 CV     1
 ASSI {  410}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.700     1.700     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.77389E-03 ppm1      8.594 ppm2      1.690 CV     1
 ASSI {  411}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.400     2.400     1.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.30652E-03 ppm1      8.657 ppm2      1.380 CV     1
 ASSI {  415}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.500     1.500     1.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.19532E-02 ppm1      8.451 ppm2      0.958 CV     1
 ASSI {  416}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.100     2.100     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.64063E-03 ppm1      8.450 ppm2      1.628 CV     1
 ASSI {  417}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.100     1.100 peak   417 spectrum    1 weight  0.10000E+01 volume  0.25433E-02 ppm1      8.450 ppm2      3.769 CV     1
 OR {  417}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  419}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.16705E-02 ppm1      8.448 ppm2      4.795 CV     1
 ASSI {  423}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.000     1.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21039E-02 ppm1      7.788 ppm2      7.970 CV     1
 ASSI {  425}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.000     1.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.24606E-02 ppm1      7.795 ppm2      7.865 CV     1
 ASSI {  429}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.700     1.700     1.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.11159E-02 ppm1      7.791 ppm2      2.265 CV     1
 ASSI {  431}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.000     2.000     2.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.87589E-03 ppm1      7.789 ppm2      2.515 CV     1
 ASSI {  434}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.700     1.700     1.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.13916E-02 ppm1      7.766 ppm2      1.121 CV     1
 OR {  434}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  435}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.900     2.900     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.36043E-03 ppm1      7.766 ppm2      1.442 CV     1
 ASSI {  436}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.20846E-02 ppm1      7.765 ppm2      2.049 CV     1
 ASSI {  439}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      5.100     3.200     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.48683E-03 ppm1      7.766 ppm2      3.271 CV     1
 OR {  439}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  442}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.30467E-02 ppm1      7.766 ppm2      4.607 CV     1
 ASSI {  443}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.33793E-02 ppm1      7.765 ppm2      8.139 CV     1
 ASSI {  448}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.14959E-02 ppm1      8.313 ppm2      1.111 CV     1
 ASSI {  450}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.12089E-02 ppm1      8.312 ppm2      1.551 CV     1
 ASSI {  451}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.000     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17840E-03 ppm1      8.312 ppm2      0.278 CV     1
 ASSI {  452}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.700     2.800     1.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.49363E-03 ppm1      8.314 ppm2      2.595 CV     1
 ASSI {  453}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.800     2.900     1.200 peak   453 spectrum    1 weight  0.10000E+01 volume  0.67078E-03 ppm1      8.314 ppm2      2.442 CV     1
 ASSI {  454}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.400     1.500     1.500 peak   454 spectrum    1 weight  0.10000E+01 volume  0.23815E-02 ppm1      8.314 ppm2      2.341 CV     1
 ASSI {  455}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.21918E-02 ppm1      8.313 ppm2      2.207 CV     1
 ASSI {  459}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.10624E-02 ppm1      8.311 ppm2      4.328 CV     1
 ASSI {  463}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.36359E-02 ppm1      8.313 ppm2      8.480 CV     1
 ASSI {  464}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.36138E-02 ppm1      8.314 ppm2      8.660 CV     1
 ASSI {  468}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      7.594 ppm2      4.823 CV     1
 ASSI {  469}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.35159E-02 ppm1      7.593 ppm2      3.024 CV     1
 OR {  469}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  471}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.700     1.700     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      7.593 ppm2      2.178 CV     1
 ASSI {  473}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.900     3.000     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.48318E-03 ppm1      7.590 ppm2      1.923 CV     1
 ASSI {  474}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.600     2.600     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.30499E-03 ppm1      7.593 ppm2      1.514 CV     1
 ASSI {  477}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.22308E-02 ppm1      7.544 ppm2      1.059 CV     1
 ASSI {  482}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.400     2.400     1.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.11774E-02 ppm1      7.544 ppm2      4.836 CV     1
 ASSI {  483}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.800     1.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.62273E-03 ppm1      7.543 ppm2      4.728 CV     1
 ASSI {  485}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.69463E-02 ppm1      7.493 ppm2      8.225 CV     1
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.600     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.76789E-03 ppm1      7.493 ppm2      4.477 CV     1
 ASSI {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.42691E-02 ppm1      7.494 ppm2      3.934 CV     1
 ASSI {  491}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.800     2.900     1.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.56774E-03 ppm1      7.494 ppm2      2.511 CV     1
 ASSI {  492}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.93125E-03 ppm1      7.493 ppm2      2.841 CV     1
 ASSI {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.400     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.89515E-03 ppm1      7.494 ppm2      2.741 CV     1
 ASSI {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.71999E-02 ppm1      7.493 ppm2      2.239 CV     1
 ASSI {  495}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21150E-02 ppm1      7.493 ppm2      2.100 CV     1
 ASSI {  496}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.300     2.300     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.92515E-03 ppm1      7.493 ppm2      1.436 CV     1
 ASSI {  500}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21858E-02 ppm1      8.364 ppm2      1.434 CV     1
 ASSI {  503}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.200     1.200 peak   503 spectrum    1 weight  0.10000E+01 volume  0.65002E-02 ppm1      8.794 ppm2      2.357 CV     1
 OR {  503}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  505}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.700     0.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.35423E-02 ppm1      8.794 ppm2      2.734 CV     1
 ASSI {  506}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   506 spectrum    1 weight  0.10000E+01 volume  0.73444E-03 ppm1      8.793 ppm2      3.936 CV     1
 ASSI {  511}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.41369E-02 ppm1      8.794 ppm2      8.490 CV     1
 ASSI {  512}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.37838E-02 ppm1      8.365 ppm2      7.728 CV     1
 ASSI {  514}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.26203E-02 ppm1      8.361 ppm2      8.457 CV     1
 ASSI {  518}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.51840E-02 ppm1      8.365 ppm2      1.983 CV     1
 ASSI {  519}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      2.600     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.29687E-02 ppm1      8.365 ppm2      1.845 CV     1
 ASSI {  524}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.100     2.100     1.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      8.812 ppm2      1.131 CV     1
 ASSI {  525}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.84422E-02 ppm1      8.811 ppm2      2.048 CV     1
 OR {  525}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  526}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18058E-02 ppm1      8.811 ppm2      1.587 CV     1
 ASSI {  529}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.23897E-02 ppm1      8.810 ppm2      2.297 CV     1
 ASSI {  531}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.300     2.300     1.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.31889E-03 ppm1      8.817 ppm2      3.867 CV     1
 ASSI {  532}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      8.811 ppm2      4.207 CV     1
 ASSI {  533}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   533 spectrum    1 weight  0.10000E+01 volume  0.18127E-02 ppm1      8.811 ppm2      4.618 CV     1
 ASSI {  536}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.97618E-03 ppm1      8.811 ppm2      7.222 CV     1
 ASSI {  538}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.29008E-02 ppm1      8.478 ppm2      8.173 CV     1
 ASSI {  540}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.700     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.46017E-02 ppm1      8.494 ppm2      4.070 CV     1
 OR {  540}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  541}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.100     1.100 peak   541 spectrum    1 weight  0.10000E+01 volume  0.26502E-02 ppm1      8.468 ppm2      4.321 CV     1
 ASSI {  544}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.900     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.28647E-02 ppm1      8.337 ppm2      3.747 CV     1
 ASSI {  550}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak   550 spectrum    1 weight  0.10000E+01 volume  0.39038E-02 ppm1      8.338 ppm2      1.764 CV     1
 ASSI {  557}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.28536E-02 ppm1      8.340 ppm2      7.976 CV     1
 ASSI {  558}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak   558 spectrum    1 weight  0.10000E+01 volume  0.30210E-02 ppm1      8.339 ppm2      8.881 CV     1
 ASSI {  566}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.900     3.000     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.30300E-03 ppm1      7.886 ppm2      2.025 CV     1
 OR {  566}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  567}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.900     3.000     1.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.39975E-03 ppm1      7.876 ppm2      2.298 CV     1
 ASSI {  569}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.76209E-03 ppm1      7.880 ppm2      4.624 CV     1
 ASSI {  571}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.300     2.400     1.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.39547E-03 ppm1      7.882 ppm2      4.858 CV     1
 ASSI {  572}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.24573E-02 ppm1      7.883 ppm2      8.037 CV     1
 ASSI {  573}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.21809E-02 ppm1      7.876 ppm2      8.222 CV     1
 ASSI {  575}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.82471E-03 ppm1      7.878 ppm2      9.093 CV     1
 ASSI {  576}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      7.792 ppm2      8.752 CV     1
 ASSI {  578}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.400     2.400     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.23063E-03 ppm1      7.790 ppm2      3.627 CV     1
 ASSI {  580}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.33838E-02 ppm1      7.791 ppm2      1.680 CV     1
 ASSI {  581}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      7.789 ppm2      1.114 CV     1
 OR {  581}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  582}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.500     2.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.97649E-03 ppm1      7.791 ppm2      1.009 CV     1
 ASSI {  585}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.46577E-02 ppm1      7.718 ppm2      2.026 CV     1
 OR {  585}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  586}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.400     2.400     1.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.72275E-03 ppm1      7.715 ppm2      1.922 CV     1
 ASSI {  588}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   588 spectrum    1 weight  0.10000E+01 volume  0.16470E-02 ppm1      7.717 ppm2      4.207 CV     1
 ASSI {  589}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     3.200     2.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.45837E-03 ppm1      7.719 ppm2      4.534 CV     1
 ASSI {  593}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.85961E-03 ppm1      7.720 ppm2      8.461 CV     1
 ASSI {  598}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.49597E-03 ppm1      8.196 ppm2      8.805 CV     1
 ASSI {  600}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.400     1.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12638E-02 ppm1      8.197 ppm2      4.358 CV     1
 ASSI {  602}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      5.200     3.400     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.33279E-03 ppm1      8.197 ppm2      2.354 CV     1
 OR {  602}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  603}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD1 ))
      5.600     3.900     0.400 peak   603 spectrum    1 weight  0.10000E+01 volume  0.24890E-03 ppm1      8.201 ppm2      3.082 CV     1
 ASSI {  604}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD2 ))
      5.600     4.000     0.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.21601E-03 ppm1      8.198 ppm2      2.991 CV     1
 ASSI {  605}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.300     0.700     0.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.57332E-02 ppm1      8.198 ppm2      1.859 CV     1
 ASSI {  607}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak   607 spectrum    1 weight  0.10000E+01 volume  0.43292E-02 ppm1      8.198 ppm2      1.546 CV     1
 ASSI {  609}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.400     1.400     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.21395E-02 ppm1      8.244 ppm2      1.131 CV     1
 ASSI {  610}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.100     1.200     1.200 peak   610 spectrum    1 weight  0.10000E+01 volume  0.48032E-02 ppm1      8.249 ppm2      0.993 CV     1
 OR {  610}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  613}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.600     1.400 peak   613 spectrum    1 weight  0.10000E+01 volume  0.56283E-03 ppm1      8.245 ppm2      0.279 CV     1
 ASSI {  614}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.700     2.700     1.300 peak   614 spectrum    1 weight  0.10000E+01 volume  0.46590E-03 ppm1      8.246 ppm2      0.443 CV     1
 ASSI {  621}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.15834E-02 ppm1      8.227 ppm2      1.390 CV     1
 ASSI {  622}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.000     1.100     1.100 peak   622 spectrum    1 weight  0.10000E+01 volume  0.70527E-02 ppm1      8.249 ppm2      1.994 CV     1
 ASSI {  623}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      2.200     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.64668E-02 ppm1      8.249 ppm2      1.865 CV     1
 ASSI {  626}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.55130E-02 ppm1      8.156 ppm2      2.006 CV     1
 ASSI {  627}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.10112E-01 ppm1      8.247 ppm2      2.338 CV     1
 OR {  627}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  629}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.38398E-02 ppm1      8.245 ppm2      2.136 CV     1
 ASSI {  633}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.400     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.43156E-02 ppm1      8.245 ppm2      2.623 CV     1
 ASSI {  635}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      5.400     3.600     0.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.31445E-03 ppm1      8.156 ppm2      3.291 CV     1
 ASSI {  636}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.600     1.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.87010E-03 ppm1      8.257 ppm2      3.750 CV     1
 ASSI {  643}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.19427E-02 ppm1      8.250 ppm2      4.460 CV     1
 ASSI {  646}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.26776E-02 ppm1      8.215 ppm2      4.616 CV     1
 ASSI {  651}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.300     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.63139E-02 ppm1      8.248 ppm2      7.632 CV     1
 ASSI {  656}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.63953E-02 ppm1      8.248 ppm2      7.962 CV     1
 ASSI {  658}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak   658 spectrum    1 weight  0.10000E+01 volume  0.84631E-03 ppm1      8.258 ppm2      8.877 CV     1
 ASSI {  661}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.27320E-03 ppm1      8.441 ppm2      3.563 CV     1
 ASSI {  662}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.99736E-03 ppm1      8.440 ppm2      4.032 CV     1
 ASSI {  664}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.19411E-02 ppm1      8.446 ppm2      1.985 CV     1
 ASSI {  666}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.000     1.100     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.16688E-02 ppm1      8.442 ppm2      1.037 CV     1
 ASSI {  670}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.300     2.300     1.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.90433E-03 ppm1      8.435 ppm2      0.439 CV     1
 ASSI {  671}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.300     2.300     1.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.90438E-03 ppm1      8.435 ppm2      0.275 CV     1
 ASSI {  674}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.26683E-02 ppm1      8.469 ppm2      1.438 CV     1
 ASSI {  677}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.44053E-02 ppm1      8.437 ppm2      1.546 CV     1
 ASSI {  685}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.500     1.500     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.19221E-02 ppm1      8.491 ppm2      2.387 CV     1
 OR {  685}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  686}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.500     2.500     1.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.55740E-03 ppm1      8.469 ppm2      2.733 CV     1
 ASSI {  687}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   687 spectrum    1 weight  0.10000E+01 volume  0.23801E-02 ppm1      8.494 ppm2      4.466 CV     1
 ASSI {  688}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.64010E-02 ppm1      8.442 ppm2      8.261 CV     1
 ASSI {  690}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.800     1.800     1.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.22317E-02 ppm1      9.108 ppm2      1.116 CV     1
 OR {  690}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  691}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.400     2.400     1.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.40011E-03 ppm1      9.105 ppm2      1.031 CV     1
 ASSI {  692}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.500     1.600     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.16024E-02 ppm1      8.682 ppm2      2.099 CV     1
 ASSI {  694}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.52006E-02 ppm1      8.741 ppm2      1.593 CV     1
 ASSI {  696}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.40510E-02 ppm1      8.022 ppm2      1.587 CV     1
 ASSI {  697}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.600     1.600     1.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.18849E-02 ppm1      7.947 ppm2      1.999 CV     1
 ASSI {  699}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      4.300     2.400     1.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.94889E-03 ppm1      9.106 ppm2      2.446 CV     1
 ASSI {  700}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.600     1.600     1.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.15376E-02 ppm1      9.108 ppm2      2.346 CV     1
 ASSI {  701}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.200     1.200 peak   701 spectrum    1 weight  0.10000E+01 volume  0.24616E-02 ppm1      9.107 ppm2      2.970 CV     1
 ASSI {  707}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.600     2.600     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.32911E-03 ppm1      9.103 ppm2      7.668 CV     1
 ASSI {  711}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.700     1.700     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.11410E-02 ppm1      8.739 ppm2      1.041 CV     1
 OR {  711}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  714}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.28562E-02 ppm1      8.741 ppm2      2.437 CV     1
 ASSI {  719}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.26382E-02 ppm1      8.740 ppm2      8.600 CV     1
 ASSI {  720}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.30635E-02 ppm1      8.681 ppm2      8.512 CV     1
 ASSI {  721}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak   721 spectrum    1 weight  0.10000E+01 volume  0.36474E-03 ppm1      8.681 ppm2      7.504 CV     1
 ASSI {  723}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.39713E-02 ppm1      8.681 ppm2      4.471 CV     1
 ASSI {  724}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.300     1.400     1.400 peak   724 spectrum    1 weight  0.10000E+01 volume  0.17174E-02 ppm1      8.681 ppm2      2.516 CV     1
 ASSI {  725}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.55694E-02 ppm1      8.681 ppm2      2.769 CV     1
 OR {  725}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  727}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.500     1.600     1.600 peak   727 spectrum    1 weight  0.10000E+01 volume  0.99668E-03 ppm1      8.022 ppm2      0.618 CV     1
 OR {  727}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  729}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.52297E-03 ppm1      8.022 ppm2      0.799 CV     1
 ASSI {  730}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.700     2.700     1.300 peak   730 spectrum    1 weight  0.10000E+01 volume  0.81161E-03 ppm1      8.022 ppm2      1.128 CV     1
 ASSI {  731}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.500     2.600     1.500 peak   731 spectrum    1 weight  0.10000E+01 volume  0.91174E-03 ppm1      8.024 ppm2      1.038 CV     1
 ASSI {  733}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.300     2.300     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.83911E-03 ppm1      8.020 ppm2      1.902 CV     1
 ASSI {  735}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.42122E-02 ppm1      8.022 ppm2      2.297 CV     1
 ASSI {  738}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.500     1.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.25405E-02 ppm1      8.023 ppm2      3.021 CV     1
 ASSI {  744}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.36975E-02 ppm1      8.022 ppm2      8.818 CV     1
 ASSI {  748}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak   748 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1      7.954 ppm2      7.001 CV     1
 ASSI {  749}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      5.300     3.500     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      7.946 ppm2      6.761 CV     1
 ASSI {  750}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.55986E-03 ppm1      7.949 ppm2      4.907 CV     1
 ASSI {  755}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      7.948 ppm2      2.954 CV     1
 ASSI {  756}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.17706E-02 ppm1      7.956 ppm2      2.856 CV     1
 ASSI {  757}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.000     2.000     2.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.15413E-02 ppm1      7.948 ppm2      0.894 CV     1
 ASSI {  758}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.300     1.400     1.400 peak   758 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      7.958 ppm2      3.852 CV     1
 ASSI {  760}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.90475E-03 ppm1      8.469 ppm2      8.248 CV     1
 ASSI {  761}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.300     2.300     1.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.73788E-03 ppm1      8.467 ppm2      1.242 CV     1
 ASSI {  769}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.700     0.900     0.900 peak   769 spectrum    1 weight  0.10000E+01 volume  0.80222E-02 ppm1      7.209 ppm2      1.778 CV     1
 OR {  769}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  770}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.100     1.100 peak   770 spectrum    1 weight  0.10000E+01 volume  0.30487E-02 ppm1      8.469 ppm2      2.823 CV     1
 OR {  770}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  771}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.700     1.700     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.13486E-02 ppm1      8.472 ppm2      4.366 CV     1
 ASSI {  772}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.18108E-02 ppm1      8.470 ppm2      4.715 CV     1
 ASSI {  773}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.39357E-02 ppm1      8.471 ppm2      4.517 CV     1
 ASSI {  774}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.21418E-02 ppm1      8.342 ppm2      9.619 CV     1
 ASSI {  775}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.20597E-02 ppm1      8.343 ppm2      7.183 CV     1
 ASSI {  776}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.55500E-03 ppm1      8.343 ppm2      7.607 CV     1
 ASSI {  777}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.300     2.300     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.39925E-03 ppm1      8.343 ppm2      5.256 CV     1
 ASSI {  779}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.17229E-02 ppm1      8.343 ppm2      4.897 CV     1
 ASSI {  781}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      4.000     2.000     2.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.36162E-03 ppm1      8.346 ppm2      4.057 CV     1
 ASSI {  782}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.18483E-02 ppm1      8.343 ppm2      3.522 CV     1
 ASSI {  783}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.33402E-02 ppm1      8.343 ppm2      3.108 CV     1
 ASSI {  785}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.200     1.200 peak   785 spectrum    1 weight  0.10000E+01 volume  0.15534E-02 ppm1      8.343 ppm2      2.199 CV     1
 ASSI {  787}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.400     2.500     1.600 peak   787 spectrum    1 weight  0.10000E+01 volume  0.84725E-03 ppm1      8.342 ppm2      1.628 CV     1
 ASSI {  789}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.800     4.200     0.200 peak   789 spectrum    1 weight  0.10000E+01 volume  0.24308E-03 ppm1      8.342 ppm2      1.954 CV     1
 ASSI {  790}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.000     3.200     1.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.26552E-03 ppm1      8.341 ppm2      0.926 CV     1
 ASSI {  792}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      5.800     4.200     0.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.18201E-03 ppm1      8.026 ppm2      1.228 CV     1
 ASSI {  793}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.100     3.200     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.27496E-03 ppm1      8.029 ppm2      1.630 CV     1
 ASSI {  796}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.600     2.600     1.400 peak   796 spectrum    1 weight  0.10000E+01 volume  0.44989E-03 ppm1      8.037 ppm2      2.895 CV     1
 ASSI {  798}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.200     1.300     1.300 peak   798 spectrum    1 weight  0.10000E+01 volume  0.12123E-02 ppm1      8.033 ppm2      3.314 CV     1
 ASSI {  799}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.60676E-02 ppm1      8.033 ppm2      4.842 CV     1
 ASSI {  800}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.100     1.100 peak   800 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      8.031 ppm2      4.731 CV     1
 ASSI {  801}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.600     0.800     0.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.46685E-02 ppm1      8.034 ppm2      7.315 CV     1
 ASSI {  803}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.32136E-02 ppm1      8.032 ppm2      7.547 CV     1
 ASSI {  808}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.20589E-02 ppm1      7.209 ppm2      4.333 CV     1
 ASSI {  812}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      5.100     3.300     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.42416E-03 ppm1      7.207 ppm2      3.309 CV     1
 ASSI {  813}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.100     2.100     1.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.57676E-03 ppm1      7.211 ppm2      2.359 CV     1
 ASSI {  814}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.28418E-02 ppm1      7.209 ppm2      1.414 CV     1
 ASSI {  816}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.100     1.200     1.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.22359E-02 ppm1      7.209 ppm2      0.953 CV     1
 ASSI {  817}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.35247E-02 ppm1      8.640 ppm2      2.667 CV     1
 ASSI {  823}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.17310E-02 ppm1      8.639 ppm2      4.842 CV     1
 ASSI {  824}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.61250E-03 ppm1      8.640 ppm2      8.049 CV     1
 ASSI {  825}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.96595E-03 ppm1      8.646 ppm2      8.563 CV     1
 ASSI {  827}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.000     2.000     2.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      8.213 ppm2      8.509 CV     1
 ASSI {  831}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.30662E-02 ppm1      8.086 ppm2      1.560 CV     1
 ASSI {  833}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.500     0.800     0.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.65023E-02 ppm1      7.845 ppm2      1.525 CV     1
 ASSI {  834}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.200     0.600     0.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.10871E-01 ppm1      8.213 ppm2      1.438 CV     1
 ASSI {  835}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak   835 spectrum    1 weight  0.10000E+01 volume  0.35148E-02 ppm1      8.213 ppm2      2.238 CV     1
 ASSI {  836}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.27087E-02 ppm1      8.213 ppm2      3.935 CV     1
 ASSI {  838}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.800     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.79857E-03 ppm1      8.212 ppm2      4.574 CV     1
 ASSI {  839}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.600     1.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.67804E-03 ppm1      8.214 ppm2      4.471 CV     1
 ASSI {  843}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.41379E-03 ppm1      8.081 ppm2      8.949 CV     1
 ASSI {  845}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.500     2.600     1.500 peak   845 spectrum    1 weight  0.10000E+01 volume  0.46472E-03 ppm1      8.088 ppm2      7.969 CV     1
 ASSI {  849}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.600     1.600     1.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.65096E-03 ppm1      8.086 ppm2      2.950 CV     1
 ASSI {  853}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.600     2.700     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.23435E-03 ppm1      8.156 ppm2      3.282 CV     1
 ASSI {  854}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.400     1.400 peak   854 spectrum    1 weight  0.10000E+01 volume  0.13120E-02 ppm1      8.085 ppm2      3.274 CV     1
 ASSI {  856}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.24056E-02 ppm1      8.156 ppm2      1.815 CV     1
 ASSI {  860}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.800     1.800     1.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10931E-02 ppm1      7.845 ppm2      4.121 CV     1
 ASSI {  861}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   861 spectrum    1 weight  0.10000E+01 volume  0.99105E-03 ppm1      7.845 ppm2      4.042 CV     1
 ASSI {  862}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   862 spectrum    1 weight  0.10000E+01 volume  0.75150E-03 ppm1      7.845 ppm2      3.939 CV     1
 ASSI {  864}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      7.844 ppm2      4.560 CV     1
 ASSI {  868}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.30223E-02 ppm1      7.967 ppm2      8.602 CV     1
 ASSI {  871}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.44987E-03 ppm1      7.966 ppm2      3.894 CV     1
 ASSI {  872}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      5.200     3.400     0.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.26368E-03 ppm1      7.972 ppm2      3.744 CV     1
 ASSI {  873}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   873 spectrum    1 weight  0.10000E+01 volume  0.23583E-02 ppm1      7.969 ppm2      2.777 CV     1
 ASSI {  874}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.22282E-02 ppm1      7.969 ppm2      2.723 CV     1
 ASSI {  875}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.400     0.700     0.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.63525E-02 ppm1      7.969 ppm2      2.017 CV     1
 ASSI {  876}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.700     0.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.55313E-02 ppm1      7.968 ppm2      1.938 CV     1
 ASSI {  877}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.800     1.800     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.26658E-02 ppm1      7.967 ppm2      1.821 CV     1
 ASSI {  878}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.000     2.000     2.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.49644E-03 ppm1      7.969 ppm2      1.114 CV     1
 ASSI {  879}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      4.200     2.200     1.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.56393E-03 ppm1      7.970 ppm2      1.081 CV     1
 OR {  879}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  881}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.600     2.600     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.56956E-03 ppm1      8.462 ppm2      0.803 CV     1
 ASSI {  882}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.300     2.300     1.700 peak   882 spectrum    1 weight  0.10000E+01 volume  0.71440E-03 ppm1      8.461 ppm2      0.693 CV     1
 ASSI {  883}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.700     1.700 peak   883 spectrum    1 weight  0.10000E+01 volume  0.15198E-02 ppm1      8.584 ppm2      1.243 CV     1
 ASSI {  884}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.57801E-02 ppm1      7.862 ppm2      1.900 CV     1
 ASSI {  885}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.45170E-02 ppm1      7.862 ppm2      1.814 CV     1
 ASSI {  899}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.13429E-02 ppm1      8.461 ppm2      8.583 CV     1
 ASSI {  900}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.25177E-02 ppm1      8.463 ppm2      4.370 CV     1
 ASSI {  901}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.45959E-02 ppm1      8.462 ppm2      4.716 CV     1
 ASSI {  903}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.76653E-02 ppm1      8.585 ppm2      4.333 CV     1
 ASSI {  905}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.200     1.200 peak   905 spectrum    1 weight  0.10000E+01 volume  0.28689E-02 ppm1      8.584 ppm2      2.874 CV     1
 ASSI {  906}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.29300E-02 ppm1      8.585 ppm2      2.748 CV     1
 ASSI {  907}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.100     2.100     1.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.54577E-03 ppm1      8.464 ppm2      2.879 CV     1
 ASSI {  908}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.000     2.000     2.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.59440E-03 ppm1      8.464 ppm2      2.744 CV     1
 ASSI {  909}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.600     1.600     1.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.17218E-02 ppm1      8.463 ppm2      1.578 CV     1
 ASSI {  910}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.100     1.200     1.200 peak   910 spectrum    1 weight  0.10000E+01 volume  0.24654E-02 ppm1      8.462 ppm2      1.470 CV     1
 ASSI {  911}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak   911 spectrum    1 weight  0.10000E+01 volume  0.11248E-02 ppm1      8.463 ppm2      1.274 CV     1
 ASSI {  914}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.300     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.11128E-02 ppm1      7.622 ppm2      0.986 CV     1
 ASSI {  915}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.800     1.800     1.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.70006E-03 ppm1      7.620 ppm2      0.885 CV     1
 ASSI {  918}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.68743E-03 ppm1      7.861 ppm2      3.275 CV     1
 ASSI {  919}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      4.300     2.300     1.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.43578E-03 ppm1      7.862 ppm2      3.470 CV     1
 ASSI {  921}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.700     0.900     0.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.43269E-02 ppm1      7.622 ppm2      4.033 CV     1
 OR {  921}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  925}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.42059E-03 ppm1      7.623 ppm2      4.904 CV     1
 ASSI {  926}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.55980E-02 ppm1      7.861 ppm2      8.167 CV     1
 ASSI {  930}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.200     2.200     1.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.45202E-03 ppm1      7.620 ppm2      8.886 CV     1
 ASSI {  931}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.000     2.000     2.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.15562E-02 ppm1      9.415 ppm2      0.616 CV     1
 OR {  931}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  939}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.51305E-02 ppm1      9.413 ppm2      1.575 CV     1
 OR {  939}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  940}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.500     1.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.29693E-02 ppm1      9.414 ppm2      1.483 CV     1
 ASSI {  941}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      9.415 ppm2      1.394 CV     1
 ASSI {  944}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.32553E-03 ppm1      9.408 ppm2      4.895 CV     1
 ASSI {  945}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.300     1.300     1.300 peak   945 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      9.414 ppm2      7.417 CV     1
 ASSI {  946}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      3.100     1.200     1.200 peak   946 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      9.413 ppm2      7.663 CV     1
 ASSI {  947}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak   947 spectrum    1 weight  0.10000E+01 volume  0.71154E-03 ppm1      9.414 ppm2      8.168 CV     1
 ASSI {  948}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.500     2.600     1.500 peak   948 spectrum    1 weight  0.10000E+01 volume  0.61913E-03 ppm1      9.415 ppm2      9.096 CV     1
 ASSI {  953}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   953 spectrum    1 weight  0.10000E+01 volume  0.29189E-02 ppm1      7.860 ppm2      4.386 CV     1
 ASSI {  954}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      4.300     2.300     1.700 peak   954 spectrum    1 weight  0.10000E+01 volume  0.93918E-03 ppm1      8.161 ppm2      4.180 CV     1
 ASSI {  956}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.000     2.000     2.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.42278E-03 ppm1      7.861 ppm2      2.265 CV     1
 ASSI {  957}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.700     1.700     1.700 peak   957 spectrum    1 weight  0.10000E+01 volume  0.74493E-03 ppm1      7.860 ppm2      2.114 CV     1
 ASSI {  960}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      2.700     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.33845E-02 ppm1      8.160 ppm2      1.713 CV     1
 ASSI {  961}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.200     1.300     1.300 peak   961 spectrum    1 weight  0.10000E+01 volume  0.40925E-02 ppm1      8.160 ppm2      1.615 CV     1
 ASSI {  963}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      4.000     2.000     2.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.84944E-03 ppm1      8.448 ppm2      1.131 CV     1
 ASSI {  965}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      5.000     3.100     1.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.42641E-03 ppm1      8.450 ppm2      0.865 CV     1
 ASSI {  967}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      8.446 ppm2      1.536 CV     1
 ASSI {  968}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.52255E-03 ppm1      8.451 ppm2      2.337 CV     1
 OR {  968}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  969}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.000     2.000     2.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.77222E-03 ppm1      8.452 ppm2      3.777 CV     1
 OR {  969}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  971}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.67454E-02 ppm1      8.450 ppm2      4.797 CV     1
 ASSI {  976}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.900     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.31060E-02 ppm1      8.130 ppm2      1.439 CV     1
 ASSI {  977}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.800     2.900     1.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.29931E-03 ppm1      8.131 ppm2      1.115 CV     1
 OR {  977}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  982}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.28627E-02 ppm1      8.129 ppm2      8.231 CV     1
 ASSI {  984}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HD21))
      1.700     0.400     0.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.14287E-01 ppm1      7.652 ppm2      7.418 CV     1
 ASSI {  986}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.000     1.100     1.100 peak   986 spectrum    1 weight  0.10000E+01 volume  0.21247E-02 ppm1      8.218 ppm2      4.851 CV     1
 ASSI {  987}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.15275E-02 ppm1      8.249 ppm2      4.907 CV     1
 ASSI {  990}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      2.700     0.900     0.900 peak   990 spectrum    1 weight  0.10000E+01 volume  0.22650E-02 ppm1      8.463 ppm2      2.591 CV     1
 ASSI {  995}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.49129E-02 ppm1      8.440 ppm2      8.171 CV     1
 ASSI {    1}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.22876E-02 ppm1      8.250 ppm2      1.040 CV     1
 ASSI {    2}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak     2 spectrum    1 weight  0.10000E+01 volume  0.88247E-02 ppm1      8.111 ppm2      1.040 CV     1
 ASSI {    3}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      3.400     1.400     1.400 peak     3 spectrum    1 weight  0.10000E+01 volume  0.24705E-02 ppm1      8.248 ppm2      0.977 CV     1
 ASSI {    4}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      2.100     0.600     0.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.71508E-02 ppm1      8.110 ppm2      0.977 CV     1
 ASSI {    5}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H31%)
      3.800     1.800     1.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.22035E-02 ppm1      3.592 ppm2      1.042 CV     1
 OR {    5}
   (( segid "    " and resid 42   and name H37B))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    6}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.700     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15527E-01 ppm1      4.126 ppm2      1.040 CV     1
 ASSI {    7}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      2.200     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.12921E-01 ppm1      3.866 ppm2      1.040 CV     1
 ASSI {    8}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      2.800     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.16261E-01 ppm1      3.459 ppm2      1.040 CV     1
 ASSI {    9}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.300     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.11168E-01 ppm1      4.126 ppm2      0.977 CV     1
 ASSI {   10}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      1.900     0.400     0.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.25146E-01 ppm1      3.866 ppm2      0.977 CV     1
 ASSI {   11}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H30%)
      4.200     2.200     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13497E-02 ppm1      3.585 ppm2      0.976 CV     1
 OR {   11}
   (( segid "    " and resid 42   and name H37B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   12}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.000     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.25270E-01 ppm1      3.460 ppm2      0.977 CV     1
 ASSI {   13}
   (( segid "    " and resid 42   and name H43A))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak    13 spectrum    1 weight  0.10000E+01 volume  0.30537E-02 ppm1      3.053 ppm2      1.041 CV     1
 OR {   13}
   (( segid "    " and resid 42   and name H43B))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   14}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
      4.200     2.200     1.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.41874E-02 ppm1      2.567 ppm2      1.041 CV     1
 OR {   14}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   15}
   (( segid "    " and resid 42   and name H43B))
   (  segid "    " and resid 42   and name H30%)
      3.300     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.21396E-02 ppm1      3.053 ppm2      0.978 CV     1
 OR {   15}
   (( segid "    " and resid 42   and name H43A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   16}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H30%)
      3.800     1.800     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.36891E-02 ppm1      2.568 ppm2      0.977 CV     1
 OR {   16}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   18}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H43B))
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10821E-01 ppm1      3.402 ppm2      3.045 CV     1
 OR {   18}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H43A))
 OR {   18}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H43B))
 OR {   18}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H43A))
 ASSI {   19}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37B))
      2.300     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.13370E-01 ppm1      2.563 ppm2      3.584 CV     1
 OR {   19}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37A))
 OR {   19}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37B))
 OR {   19}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37A))
 ASSI {   20}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H42A))
      4.000     2.000     2.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.23162E-02 ppm1      2.569 ppm2      3.402 CV     1
 OR {   20}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H42B))
 OR {   20}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H42B))
 OR {   20}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H42A))
 ASSI {   21}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H43A))
      4.900     3.100     1.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      2.563 ppm2      3.054 CV     1
 OR {   21}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H43A))
 OR {   21}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H43B))
 OR {   21}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H43B))
 ASSI {   25}
   (( segid "    " and resid 42   and name H4B ))
   (( segid "    " and resid 42   and name H2A ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.73736E-02 ppm1      1.247 ppm2      2.580 CV     1
 OR {   25}
   (( segid "    " and resid 42   and name H4A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   25}
   (( segid "    " and resid 42   and name H4A ))
   (( segid "    " and resid 42   and name H2B ))
 OR {   25}
   (( segid "    " and resid 42   and name H4B ))
   (( segid "    " and resid 42   and name H2B ))
 OR {   25}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   25}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H2B ))
 OR {   25}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H2A ))
 ASSI {   27}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H2B ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.57447E-02 ppm1      1.590 ppm2      2.585 CV     1
 OR {   27}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   27}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   27}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   32}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H5A ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.72421E-02 ppm1      0.849 ppm2      1.249 CV     1
 OR {   32}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H5B ))
 OR {   32}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H4B ))
 OR {   32}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H4A ))
 ASSI {   33}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H3A ))
      4.500     2.600     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.82596E-03 ppm1      0.839 ppm2      1.591 CV     1
 OR {   33}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H3B ))
 ASSI {   36}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
      2.500     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.78578E-02 ppm1      2.563 ppm2      8.109 CV     1
 OR {   36}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   37}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H41A))
      2.900     1.000     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.44372E-02 ppm1      3.049 ppm2      8.248 CV     1
 OR {   37}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   38}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
      2.100     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.22600E-01 ppm1      2.563 ppm2      8.247 CV     1
 OR {   38}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   39}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
      2.300     0.700     0.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14019E-01 ppm1      3.404 ppm2      8.248 CV     1
 OR {   39}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   40}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H36A))
      4.400     2.500     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      3.452 ppm2      8.109 CV     1
 ASSI {   41}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H41A))
      3.200     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.27870E-02 ppm1      3.586 ppm2      8.247 CV     1
 OR {   41}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   42}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
      2.100     0.500     0.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.17391E-01 ppm1      3.586 ppm2      8.109 CV     1
 OR {   42}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   43}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H36A))
      5.200     3.400     0.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13423E-02 ppm1      3.865 ppm2      8.108 CV     1
 ASSI {   44}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      1.900     0.400     0.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.15885E-01 ppm1      4.125 ppm2      8.109 CV     1
 ASSI {   58}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H32A))
      2.800     2.800     3.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.10765E-02 ppm1      3.054 ppm2      4.127 CV     1
 OR {   58}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H32A))
 ASSI {   60}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H32A))
      4.200     2.300     1.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.35349E-02 ppm1      2.567 ppm2      4.125 CV     1
 OR {   60}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H32A))
 ASSI {   62}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.80691E-02 ppm1      3.870 ppm2      4.124 CV     1
 ASSI {   63}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H32A))
      3.500     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.60374E-02 ppm1      3.585 ppm2      4.125 CV     1
 OR {   63}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H32A))
 ASSI {   64}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.76919E-02 ppm1      3.460 ppm2      4.125 CV     1
 ASSI {   65}
   (( segid "    " and resid 42   and name H4B ))
   (( segid "    " and resid 42   and name H3A ))
      2.900     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.24419E-02 ppm1      1.259 ppm2      1.604 CV     1
 OR {   65}
   (( segid "    " and resid 42   and name H4A ))
   (( segid "    " and resid 42   and name H3B ))
 OR {   65}
   (( segid "    " and resid 42   and name H4B ))
   (( segid "    " and resid 42   and name H3B ))
 OR {   65}
   (( segid "    " and resid 42   and name H4A ))
   (( segid "    " and resid 42   and name H3A ))
 OR {   65}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H3B ))
 OR {   65}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H3A ))
 OR {   65}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H3A ))
 OR {   65}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H3B ))
 ASSI {   66}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H2A ))
      5.100     3.300     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.70507E-03 ppm1      0.858 ppm2      2.582 CV     1
 OR {   66}
   (  segid "    " and resid 42   and name H6% )
   (( segid "    " and resid 42   and name H2B ))
 ASSI {    2}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H6% )
      3.900     1.900     1.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.83645E-03 ppm1      0.263 ppm2      0.849 CV     1
 ASSI {    3}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H6% )
      3.900     1.900     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.85606E-03 ppm1      0.421 ppm2      0.849 CV     1
 ASSI {   22}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.17429E-02 ppm1      4.323 ppm2      1.044 CV     1
 ASSI {   33}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      4.500     2.500     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1      2.829 ppm2      1.044 CV     1
 ASSI {   34}
   (( segid "    " and resid 42   and name H2A ))
   (  segid "    " and resid 42   and name H31%)
      4.000     2.000     2.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.16376E-02 ppm1      2.569 ppm2      1.044 CV     1
 OR {   34}
   (( segid "    " and resid 42   and name H2B ))
   (  segid "    " and resid 42   and name H31%)
 OR {   34}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
 OR {   34}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   36}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.400     1.400     1.400 peak    36 spectrum    1 weight  0.10000E+01 volume  0.16848E-02 ppm1      2.328 ppm2      1.044 CV     1
 OR {   36}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   38}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.85716E-03 ppm1      2.329 ppm2      0.982 CV     1
 OR {   38}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   81}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      4.400     2.400     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.63896E-03 ppm1      2.829 ppm2      0.978 CV     1
 ASSI {   82}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      4.400     2.500     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.38826E-03 ppm1      2.739 ppm2      1.043 CV     1
 ASSI {   85}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H4B ))
      4.400     2.400     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.46063E-03 ppm1      2.330 ppm2      1.252 CV     1
 OR {   85}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   85}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   85}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   85}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   85}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   85}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   85}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H5B ))
 ASSI {   86}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H6% )
      4.800     2.900     1.200 peak    86 spectrum    1 weight  0.10000E+01 volume  0.40013E-03 ppm1      2.333 ppm2      0.843 CV     1
 OR {   86}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H6% )
 ASSI {   87}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H30%)
      4.400     2.500     1.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.87151E-03 ppm1      0.426 ppm2      0.977 CV     1
 ASSI {   88}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H31%)
      4.200     2.200     1.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.80457E-03 ppm1      0.422 ppm2      1.044 CV     1
 ASSI {   90}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H3A ))
      4.700     2.700     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.46475E-03 ppm1      0.425 ppm2      1.604 CV     1
 OR {   90}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H3B ))
 ASSI {   96}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
      4.800     2.900     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.42119E-03 ppm1      4.097 ppm2      1.261 CV     1
 OR {   96}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   96}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   96}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 ASSI {   98}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 42   and name H6% )
      4.400     2.500     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.43926E-03 ppm1      4.107 ppm2      0.846 CV     1
 ASSI {    2}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.36246E-02 ppm1      0.801 ppm2      0.994 CV     1
 OR {    2}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   10}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.100     0.600     0.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.94023E-02 ppm1      0.861 ppm2      1.538 CV     1
 OR {   10}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {   12}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.17084E-02 ppm1      0.861 ppm2      1.434 CV     1
 OR {   12}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
 ASSI {   15}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
      2.600     0.900     0.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.44605E-02 ppm1      0.861 ppm2      1.849 CV     1
 OR {   15}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI {   17}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      4.100     2.100     1.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      0.860 ppm2      2.219 CV     1
 OR {   17}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 ASSI {   27}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.57812E-03 ppm1      0.862 ppm2      4.285 CV     1
 OR {   27}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {   27}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   28}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.68884E-03 ppm1      0.804 ppm2      4.286 CV     1
 OR {   28}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {   28}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   31}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.18960E-02 ppm1      0.861 ppm2      3.936 CV     1
 OR {   31}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI {   34}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.42064E-03 ppm1      0.802 ppm2      7.416 CV     1
 OR {   34}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
 ASSI {   36}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      0.860 ppm2      8.467 CV     1
 OR {   36}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI {   39}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.908 ppm2      6.987 CV     1
 OR {   39}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {   47}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.400     1.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.83342E-03 ppm1      0.908 ppm2      2.952 CV     1
 OR {   47}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {   50}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.15469E-02 ppm1      0.908 ppm2      2.218 CV     1
 OR {   50}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {   52}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.31513E-02 ppm1      0.907 ppm2      1.417 CV     1
 OR {   52}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {   62}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      2.900     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.22668E-02 ppm1      0.885 ppm2      1.601 CV     1
 OR {   62}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   63}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak    63 spectrum    1 weight  0.10000E+01 volume  0.15873E-02 ppm1      0.884 ppm2      1.573 CV     1
 OR {   63}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {   63}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {   69}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.29024E-02 ppm1      1.006 ppm2      1.534 CV     1
 OR {   69}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {   73}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.300     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.66202E-02 ppm1      1.007 ppm2      1.859 CV     1
 OR {   73}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI {   77}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.57207E-03 ppm1      0.887 ppm2      2.813 CV     1
 OR {   77}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {   84}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.900     3.000     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.54707E-03 ppm1      1.011 ppm2      3.756 CV     1
 OR {   84}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {   88}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      4.500     2.600     1.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.49389E-03 ppm1      0.884 ppm2      4.267 CV     1
 OR {   88}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   93}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.400     1.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.84735E-03 ppm1      0.885 ppm2      7.422 CV     1
 OR {   93}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {   96}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.000     2.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.15256E-02 ppm1      0.885 ppm2      8.349 CV     1
 OR {   96}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  101}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.100     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.14767E-01 ppm1      1.655 ppm2      8.151 CV     1
 OR {  101}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  104}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.500     2.500     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.68774E-03 ppm1      1.655 ppm2      8.664 CV     1
 OR {  104}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  106}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.91508E-03 ppm1      1.653 ppm2      8.043 CV     1
 OR {  106}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
 OR {  106}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  109}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      4.400     2.400     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.50569E-03 ppm1      1.559 ppm2      8.478 CV     1
 OR {  109}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  112}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.49760E-02 ppm1      1.552 ppm2      4.259 CV     1
 OR {  112}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 OR {  112}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  114}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      1.651 ppm2      3.938 CV     1
 OR {  114}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  114}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  117}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.81359E-03 ppm1      1.555 ppm2      2.343 CV     1
 OR {  117}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 OR {  117}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HB1 ))
 OR {  117}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  118}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.300     2.300     1.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.89128E-03 ppm1      1.555 ppm2      2.210 CV     1
 OR {  118}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  120}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      3.600     1.600     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.15278E-02 ppm1      1.654 ppm2      2.210 CV     1
 OR {  120}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 OR {  120}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  121}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
      3.400     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15581E-02 ppm1      1.655 ppm2      2.357 CV     1
 OR {  121}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 OR {  121}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB1 ))
 OR {  121}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  124}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.48308E-02 ppm1      1.553 ppm2      0.862 CV     1
 OR {  124}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 42   and name H6% )
 OR {  124}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  125}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.21860E-02 ppm1      1.551 ppm2      1.026 CV     1
 OR {  125}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 OR {  125}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  126}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.900     1.100     1.100 peak   126 spectrum    1 weight  0.10000E+01 volume  0.36232E-02 ppm1      1.555 ppm2      0.987 CV     1
 OR {  126}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 74   and name HG  ))
 OR {  126}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 OR {  126}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 OR {  126}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  127}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5A ))
      3.400     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.15847E-02 ppm1      1.552 ppm2      1.273 CV     1
 OR {  127}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5B ))
 OR {  127}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H4A ))
 OR {  127}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H4B ))
 OR {  127}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 78   and name HG12))
 ASSI {  136}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.88753E-03 ppm1      1.637 ppm2      8.462 CV     1
 OR {  136}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 OR {  136}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  151}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      5.100     3.200     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.65351E-03 ppm1      1.050 ppm2      6.986 CV     1
 OR {  151}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  155}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.12181E-02 ppm1      1.048 ppm2      4.366 CV     1
 OR {  155}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  166}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA1 ))
      3.900     1.900     1.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.14185E-02 ppm1      1.637 ppm2      4.028 CV     1
 OR {  166}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
 OR {  166}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  168}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
      4.100     2.100     1.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.55678E-03 ppm1      1.433 ppm2      3.957 CV     1
 OR {  168}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HA  ))
 OR {  168}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  174}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   174 spectrum    1 weight  0.10000E+01 volume  0.16211E-02 ppm1      1.561 ppm2      2.853 CV     1
 OR {  174}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
 OR {  174}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  176}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.13079E-02 ppm1      1.052 ppm2      3.017 CV     1
 OR {  176}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  177}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HB  ))
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.29743E-02 ppm1      1.636 ppm2      2.120 CV     1
 OR {  177}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  178}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      3.100     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.36836E-02 ppm1      1.658 ppm2      2.040 CV     1
 OR {  178}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB2 ))
 OR {  178}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB1 ))
 OR {  178}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  179}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG11))
      3.300     1.400     1.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.24177E-02 ppm1      1.050 ppm2      1.818 CV     1
 OR {  179}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  182}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.800     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.58704E-02 ppm1      1.441 ppm2      1.004 CV     1
 OR {  182}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
 OR {  182}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG2%)
 OR {  182}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  185}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.45782E-02 ppm1      1.661 ppm2      1.115 CV     1
 OR {  185}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  190}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 42   and name H6% )
      3.700     1.700     1.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.90475E-03 ppm1      1.436 ppm2      0.859 CV     1
 OR {  190}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  198}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      4.300     2.300     1.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.52105E-03 ppm1      1.528 ppm2      8.501 CV     1
 OR {  198}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  200}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.70235E-03 ppm1      0.926 ppm2      7.958 CV     1
 OR {  200}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  202}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.54770E-02 ppm1      0.928 ppm2      7.430 CV     1
 OR {  202}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 56   and name HD% )
 ASSI {  215}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
      3.800     1.800     1.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      1.529 ppm2      4.074 CV     1
 OR {  215}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
 OR {  215}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  218}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.15184E-02 ppm1      0.927 ppm2      3.745 CV     1
 OR {  218}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  221}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.100     1.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.51326E-03 ppm1      1.527 ppm2      2.828 CV     1
 OR {  221}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  231}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.16624E-02 ppm1      1.113 ppm2      8.345 CV     1
 OR {  231}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  234}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.10108E-02 ppm1      1.109 ppm2      8.487 CV     1
 OR {  234}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  236}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      4.500     2.600     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.44470E-03 ppm1      1.115 ppm2      8.154 CV     1
 OR {  236}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
 OR {  236}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  237}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      1.125 ppm2      7.787 CV     1
 OR {  237}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
 OR {  237}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI {  240}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.800     1.800     1.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.72990E-03 ppm1      1.122 ppm2      7.191 CV     1
 OR {  240}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
 OR {  240}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  241}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.18338E-02 ppm1      1.122 ppm2      6.973 CV     1
 OR {  241}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  243}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.41430E-03 ppm1      1.127 ppm2      4.600 CV     1
 OR {  243}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HB  ))
 OR {  243}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  243}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  246}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   246 spectrum    1 weight  0.10000E+01 volume  0.18072E-02 ppm1      1.123 ppm2      4.106 CV     1
 OR {  246}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  247}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.83452E-02 ppm1      1.112 ppm2      3.949 CV     1
 OR {  247}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  247}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  249}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      3.800     1.800     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      1.117 ppm2      2.237 CV     1
 OR {  249}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {  249}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 OR {  249}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  250}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.13232E-02 ppm1      1.124 ppm2      2.447 CV     1
 OR {  250}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  251}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak   251 spectrum    1 weight  0.10000E+01 volume  0.25740E-02 ppm1      1.113 ppm2      1.853 CV     1
 OR {  251}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HG  ))
 OR {  251}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  252}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.700     0.900     0.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.32685E-02 ppm1      1.114 ppm2      2.042 CV     1
 OR {  252}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
 OR {  252}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  253}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.68169E-02 ppm1      1.114 ppm2      1.659 CV     1
 OR {  253}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  256}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.71054E-02 ppm1      1.117 ppm2      1.005 CV     1
 OR {  256}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  256}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
 OR {  256}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  256}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {  256}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG2%)
 OR {  256}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  257}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      3.000     1.100     1.100 peak   257 spectrum    1 weight  0.10000E+01 volume  0.22195E-02 ppm1      1.119 ppm2      0.281 CV     1
 OR {  257}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  258}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.21351E-02 ppm1      1.120 ppm2      0.438 CV     1
 OR {  258}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
 ASSI {  266}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      2.800     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.28228E-02 ppm1      1.042 ppm2      8.452 CV     1
 OR {  266}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  269}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.19104E-02 ppm1      1.041 ppm2      8.240 CV     1
 OR {  269}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  270}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.400     1.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.20422E-02 ppm1      0.971 ppm2      8.464 CV     1
 OR {  270}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  272}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      1.241 ppm2      8.474 CV     1
 OR {  272}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 OR {  272}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  276}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      1.041 ppm2      8.370 CV     1
 OR {  276}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  278}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.27100E-02 ppm1      0.973 ppm2      7.431 CV     1
 OR {  278}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
 ASSI {  287}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.500     0.800     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.62946E-02 ppm1      1.245 ppm2      4.355 CV     1
 OR {  287}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  289}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.400     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.54587E-02 ppm1      1.042 ppm2      4.591 CV     1
 OR {  289}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  295}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.33694E-02 ppm1      1.041 ppm2      4.049 CV     1
 OR {  295}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
 OR {  295}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
 ASSI {  296}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.600     0.600 peak   296 spectrum    1 weight  0.10000E+01 volume  0.96543E-02 ppm1      1.037 ppm2      3.935 CV     1
 OR {  296}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  299}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak   299 spectrum    1 weight  0.10000E+01 volume  0.16176E-02 ppm1      0.972 ppm2      4.245 CV     1
 OR {  299}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
 OR {  299}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  301}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.97383E-03 ppm1      0.974 ppm2      3.744 CV     1
 OR {  301}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  301}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  305}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
      4.400     2.400     1.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.76293E-03 ppm1      1.413 ppm2      2.700 CV     1
 OR {  305}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  305}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  308}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
      3.100     1.200     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.30407E-02 ppm1      1.043 ppm2      2.959 CV     1
 OR {  308}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  309}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.91941E-02 ppm1      0.973 ppm2      2.116 CV     1
 OR {  309}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  311}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.500     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.11746E-01 ppm1      1.042 ppm2      2.269 CV     1
 OR {  311}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  312}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      2.600     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.40419E-02 ppm1      1.028 ppm2      2.110 CV     1
 OR {  312}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
 OR {  312}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  312}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {  319}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.200     1.300     1.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      0.438 ppm2      6.979 CV     1
 OR {  319}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  323}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.40181E-02 ppm1      1.009 ppm2      7.413 CV     1
 OR {  323}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
 ASSI {  327}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.31136E-02 ppm1      0.750 ppm2      6.979 CV     1
 OR {  327}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  329}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.55240E-03 ppm1      0.696 ppm2      7.213 CV     1
 OR {  329}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  330}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.20869E-02 ppm1      0.281 ppm2      6.987 CV     1
 OR {  330}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  331}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.20932E-02 ppm1      1.124 ppm2      8.253 CV     1
 OR {  331}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  337}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.11575E-02 ppm1      0.692 ppm2      8.473 CV     1
 OR {  337}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  339}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.21859E-02 ppm1      1.113 ppm2      7.800 CV     1
 OR {  339}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI {  343}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.73700E-03 ppm1      0.748 ppm2      7.198 CV     1
 OR {  343}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
 ASSI {  346}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      4.300     2.300     1.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.40816E-03 ppm1      0.280 ppm2      4.109 CV     1
 OR {  346}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  347}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      3.100     3.100     2.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.82220E-03 ppm1      0.282 ppm2      4.382 CV     1
 OR {  347}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
 OR {  347}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  348}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      4.000     2.000     2.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.84573E-03 ppm1      0.280 ppm2      4.231 CV     1
 OR {  348}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  348}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  351}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.90088E-03 ppm1      0.749 ppm2      3.939 CV     1
 OR {  351}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  351}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  352}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.74832E-02 ppm1      0.749 ppm2      4.365 CV     1
 OR {  352}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  353}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.61381E-02 ppm1      0.693 ppm2      4.373 CV     1
 OR {  353}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  359}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.12047E-02 ppm1      1.124 ppm2      4.372 CV     1
 OR {  359}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  359}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 OR {  359}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  361}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.42927E-02 ppm1      1.124 ppm2      4.038 CV     1
 OR {  361}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  367}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.200     1.300     1.300 peak   367 spectrum    1 weight  0.10000E+01 volume  0.11919E-02 ppm1      0.280 ppm2      2.956 CV     1
 OR {  367}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  368}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.14888E-02 ppm1      0.280 ppm2      2.845 CV     1
 OR {  368}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HG1 ))
 OR {  368}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  369}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.77936E-03 ppm1      0.959 ppm2      3.035 CV     1
 OR {  369}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
 OR {  369}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  376}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
      3.200     1.300     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      0.280 ppm2      1.113 CV     1
 OR {  376}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
 OR {  376}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  378}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.200     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.20556E-02 ppm1      0.692 ppm2      1.452 CV     1
 OR {  378}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  383}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.11109E-01 ppm1      1.124 ppm2      2.268 CV     1
 OR {  383}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  393}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      4.500     2.600     1.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.45063E-03 ppm1      1.124 ppm2      3.554 CV     1
 OR {  393}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  395}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 65   and name HB% )
      3.100     1.200     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.47293E-02 ppm1      1.124 ppm2      1.416 CV     1
 OR {  395}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
 OR {  395}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  396}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.900     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.25648E-02 ppm1      1.061 ppm2      1.569 CV     1
 OR {  396}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 OR {  396}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  397}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.60979E-02 ppm1      0.749 ppm2      1.101 CV     1
 OR {  397}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  398}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      3.000     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.42945E-02 ppm1      0.695 ppm2      0.887 CV     1
 OR {  398}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  399}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.28759E-02 ppm1      0.692 ppm2      1.044 CV     1
 OR {  399}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 OR {  399}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
 OR {  399}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  404}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.100     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.19617E-02 ppm1      0.280 ppm2      1.007 CV     1
 OR {  404}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 60   and name HG2%)
 OR {  404}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  404}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H30%)
 OR {  404}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  405}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H6% )
      3.700     1.700     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.84333E-03 ppm1      0.279 ppm2      0.857 CV     1
 OR {  405}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  406}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      3.400     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.31363E-02 ppm1      1.123 ppm2      0.803 CV     1
 OR {  406}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  415}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.48315E-03 ppm1      0.691 ppm2      4.716 CV     1
 OR {  415}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  416}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.900     3.000     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.28850E-03 ppm1      0.283 ppm2      2.342 CV     1
 OR {  416}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
 OR {  416}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  417}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H2B ))
      4.800     2.900     1.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.33028E-03 ppm1      0.283 ppm2      2.583 CV     1
 OR {  417}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H2A ))
 OR {  417}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 47   and name HG1 ))
 ASSI {  425}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.72818E-03 ppm1      0.438 ppm2      4.364 CV     1
 OR {  425}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  425}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  426}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.24707E-02 ppm1      0.438 ppm2      4.231 CV     1
 OR {  426}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  427}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.47526E-03 ppm1      0.438 ppm2      4.105 CV     1
 OR {  427}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.48988E-03 ppm1      0.440 ppm2      2.959 CV     1
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.81620E-03 ppm1      0.438 ppm2      2.844 CV     1
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HG1 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
      4.700     2.700     1.300 peak   433 spectrum    1 weight  0.10000E+01 volume  0.38065E-03 ppm1      0.439 ppm2      2.357 CV     1
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H2B ))
      4.600     2.600     1.400 peak   434 spectrum    1 weight  0.10000E+01 volume  0.42419E-03 ppm1      0.440 ppm2      2.591 CV     1
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H2A ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name HG1 ))
 ASSI {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      3.400     1.400     1.400 peak   439 spectrum    1 weight  0.10000E+01 volume  0.17033E-02 ppm1      0.441 ppm2      1.007 CV     1
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H30%)
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 60   and name HG2%)
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  442}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.300     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.17981E-02 ppm1      0.485 ppm2      7.224 CV     1
 OR {  442}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  445}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.400     1.400 peak   445 spectrum    1 weight  0.10000E+01 volume  0.23362E-02 ppm1      1.384 ppm2      8.838 CV     1
 OR {  445}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  457}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.800     1.000     1.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      0.996 ppm2      3.449 CV     1
 OR {  457}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
 ASSI {  461}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      3.800     1.800     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.12913E-02 ppm1      0.749 ppm2      1.551 CV     1
 OR {  461}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 44   and name HB% )
 OR {  461}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  461}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  466}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      4.300     2.300     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.68519E-03 ppm1      1.003 ppm2      2.823 CV     1
 OR {  466}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  467}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
      3.500     1.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.13741E-02 ppm1      1.114 ppm2      2.033 CV     1
 OR {  467}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  471}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.69129E-02 ppm1      1.044 ppm2      1.614 CV     1
 OR {  471}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  473}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.59059E-02 ppm1      0.996 ppm2      1.566 CV     1
 OR {  473}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  477}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak   477 spectrum    1 weight  0.10000E+01 volume  0.48916E-03 ppm1      0.994 ppm2      4.900 CV     1
 OR {  477}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  485}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.68174E-03 ppm1      0.489 ppm2      3.872 CV     1
 OR {  485}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  489}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak   489 spectrum    1 weight  0.10000E+01 volume  0.32301E-02 ppm1      0.488 ppm2      1.627 CV     1
 OR {  489}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HG1 ))
 OR {  489}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  490}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      3.100     1.200     1.200 peak   490 spectrum    1 weight  0.10000E+01 volume  0.30104E-02 ppm1      0.487 ppm2      1.385 CV     1
 OR {  490}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  503}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.86979E-03 ppm1      0.805 ppm2      8.037 CV     1
 OR {  503}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  504}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.54676E-03 ppm1      0.801 ppm2      8.862 CV     1
 OR {  504}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 OR {  504}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  507}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.60943E-03 ppm1      0.803 ppm2      4.209 CV     1
 OR {  507}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  512}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.700     1.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.18174E-02 ppm1      0.600 ppm2      3.893 CV     1
 OR {  512}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  514}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
      4.400     2.400     1.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.50928E-03 ppm1      0.802 ppm2      3.034 CV     1
 OR {  514}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HB1 ))
 OR {  514}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  517}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.46782E-02 ppm1      0.803 ppm2      1.384 CV     1
 OR {  517}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  518}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.100     0.600     0.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.89081E-02 ppm1      0.802 ppm2      1.578 CV     1
 OR {  518}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  518}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  518}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  526}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      4.000     2.000     2.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.12912E-02 ppm1      0.630 ppm2      7.417 CV     1
 OR {  526}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  528}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   528 spectrum    1 weight  0.10000E+01 volume  0.27539E-02 ppm1      0.629 ppm2      4.555 CV     1
 OR {  528}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  531}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.600     1.600     1.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      0.605 ppm2      1.922 CV     1
 OR {  531}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  542}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.89426E-03 ppm1      0.807 ppm2      8.466 CV     1
 OR {  542}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  553}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.900     1.900     1.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.16632E-02 ppm1      0.862 ppm2      7.418 CV     1
 OR {  553}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
 ASSI {  563}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.19739E-02 ppm1      0.866 ppm2      3.884 CV     1
 OR {  563}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  564}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      4.200     2.200     1.800 peak   564 spectrum    1 weight  0.10000E+01 volume  0.54530E-03 ppm1      0.806 ppm2      3.935 CV     1
 OR {  564}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  566}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.12365E-02 ppm1      0.858 ppm2      4.213 CV     1
 OR {  566}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 OR {  566}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  567}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.22878E-02 ppm1      0.995 ppm2      4.248 CV     1
 OR {  567}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  570}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.600     1.600     1.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.12950E-02 ppm1      1.058 ppm2      3.032 CV     1
 OR {  570}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  570}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  580}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.20906E-02 ppm1      0.810 ppm2      1.466 CV     1
 OR {  580}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  586}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.61177E-02 ppm1      0.867 ppm2      1.588 CV     1
 OR {  586}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  586}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  591}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.63082E-02 ppm1      0.993 ppm2      1.568 CV     1
 OR {  591}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  593}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      3.900     1.900     1.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      1.705 ppm2      0.987 CV     1
 OR {  593}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  593}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  593}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  593}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  593}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  598}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 15   and name HG2%)
      3.500     1.500     1.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.25023E-02 ppm1      0.803 ppm2      1.132 CV     1
 OR {  598}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
 OR {  598}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  600}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.300     1.400     1.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.10995E-02 ppm1      0.806 ppm2      4.366 CV     1
 OR {  600}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  615}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.10798E-02 ppm1      1.405 ppm2      7.318 CV     1
 OR {  615}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR {  615}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  616}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      3.400     1.400     1.400 peak   616 spectrum    1 weight  0.10000E+01 volume  0.71707E-03 ppm1      1.406 ppm2      7.214 CV     1
 OR {  616}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  619}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.300     2.300     1.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.73261E-03 ppm1      2.216 ppm2      7.215 CV     1
 OR {  619}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  620}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.22434E-02 ppm1      1.852 ppm2      8.370 CV     1
 OR {  620}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  624}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak   624 spectrum    1 weight  0.10000E+01 volume  0.22974E-02 ppm1      1.482 ppm2      8.449 CV     1
 OR {  624}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  625}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.12253E-02 ppm1      1.586 ppm2      8.473 CV     1
 OR {  625}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  630}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.90407E-03 ppm1      2.056 ppm2      3.939 CV     1
 OR {  630}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  632}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.400     1.400 peak   632 spectrum    1 weight  0.10000E+01 volume  0.30125E-02 ppm1      1.826 ppm2      4.270 CV     1
 OR {  632}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  633}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HA  ))
      3.400     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.14878E-02 ppm1      1.867 ppm2      4.235 CV     1
 OR {  633}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  638}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
      3.700     1.700     1.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.80582E-03 ppm1      1.466 ppm2      4.234 CV     1
 OR {  638}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  651}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.800     2.900     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.67470E-03 ppm1      2.202 ppm2      3.332 CV     1
 OR {  651}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  655}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.96313E-03 ppm1      1.586 ppm2      4.382 CV     1
 OR {  655}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  664}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.300     1.300 peak   664 spectrum    1 weight  0.10000E+01 volume  0.15015E-02 ppm1      0.900 ppm2      2.258 CV     1
 OR {  664}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  674}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.200     0.600     0.600 peak   674 spectrum    1 weight  0.10000E+01 volume  0.84641E-02 ppm1      1.858 ppm2      0.893 CV     1
 OR {  674}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  675}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
      2.800     1.000     1.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      2.202 ppm2      0.905 CV     1
 OR {  675}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  678}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.400     1.500     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.12075E-02 ppm1      2.060 ppm2      1.655 CV     1
 OR {  678}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  687}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.400     2.500     1.600 peak   687 spectrum    1 weight  0.10000E+01 volume  0.10619E-02 ppm1      1.126 ppm2      8.034 CV     1
 OR {  687}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  688}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.96892E-03 ppm1      1.141 ppm2      8.462 CV     1
 OR {  688}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  694}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      1.541 ppm2      8.459 CV     1
 OR {  694}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  702}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.41016E-02 ppm1      1.720 ppm2      8.165 CV     1
 OR {  702}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HN  ))
 OR {  702}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  703}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HE  ))
      3.600     1.600     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.92155E-03 ppm1      1.546 ppm2      9.074 CV     1
 OR {  703}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  710}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
      4.300     2.300     1.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.52130E-03 ppm1      1.215 ppm2      7.340 CV     1
 OR {  710}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR {  710}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  712}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.500     1.500 peak   712 spectrum    1 weight  0.10000E+01 volume  0.23801E-02 ppm1      1.125 ppm2      4.218 CV     1
 OR {  712}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  714}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.11157E-02 ppm1      1.127 ppm2      3.882 CV     1
 OR {  714}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  718}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.15482E-02 ppm1      1.718 ppm2      4.366 CV     1
 OR {  718}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  719}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      4.100     2.100     1.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.17354E-02 ppm1      1.738 ppm2      4.270 CV     1
 OR {  719}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  719}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  728}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.26167E-02 ppm1      1.550 ppm2      4.559 CV     1
 OR {  728}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  735}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13338E-01 ppm1      1.754 ppm2      1.879 CV     1
 OR {  735}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR {  735}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  737}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.700     0.400     0.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.11541E-01 ppm1      1.518 ppm2      1.848 CV     1
 OR {  737}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HB  ))
 OR {  737}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI {  741}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.78578E-02 ppm1      1.128 ppm2      1.575 CV     1
 OR {  741}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.300     1.300     1.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.29989E-02 ppm1      2.126 ppm2      1.010 CV     1
 OR {  753}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  753}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  753}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  753}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  775}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.600     0.800     0.800 peak   775 spectrum    1 weight  0.10000E+01 volume  0.43566E-02 ppm1      1.928 ppm2      3.339 CV     1
 OR {  775}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
 OR {  775}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI {  792}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      4.300     2.400     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.10151E-02 ppm1      1.129 ppm2      1.676 CV     1
 OR {  792}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR {  792}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  793}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
      2.700     0.900     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.32612E-02 ppm1      1.129 ppm2      0.796 CV     1
 OR {  793}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  798}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.16558E-02 ppm1      1.257 ppm2      1.934 CV     1
 OR {  798}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  803}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 52   and name HD2%)
      4.000     2.000     2.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.77874E-03 ppm1      1.762 ppm2      0.990 CV     1
 OR {  803}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 77   and name HD1%)
 OR {  803}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 74   and name HG  ))
 OR {  803}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 58   and name HG2%)
 OR {  803}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  804}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.36423E-02 ppm1      1.761 ppm2      0.860 CV     1
 OR {  804}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  806}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HG2%)
      3.300     1.300     1.300 peak   806 spectrum    1 weight  0.10000E+01 volume  0.37381E-02 ppm1      1.257 ppm2      0.874 CV     1
 OR {  806}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 52   and name HD1%)
 OR {  806}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  812}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      2.342 ppm2      8.472 CV     1
 OR {  812}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 OR {  812}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  822}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.38897E-02 ppm1      2.146 ppm2      4.362 CV     1
 OR {  822}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  833}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10205E-01 ppm1      2.219 ppm2      2.473 CV     1
 OR {  833}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
 OR {  833}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  837}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
      4.700     2.700     1.300 peak   837 spectrum    1 weight  0.10000E+01 volume  0.55704E-03 ppm1      2.352 ppm2      1.645 CV     1
 OR {  837}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  838}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 60   and name HG11))
      4.700     2.800     1.300 peak   838 spectrum    1 weight  0.10000E+01 volume  0.49144E-03 ppm1      2.356 ppm2      1.547 CV     1
 OR {  838}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 OR {  838}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  843}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak   843 spectrum    1 weight  0.10000E+01 volume  0.34074E-02 ppm1      2.250 ppm2      8.253 CV     1
 OR {  843}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  850}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.600     1.600 peak   850 spectrum    1 weight  0.10000E+01 volume  0.19669E-02 ppm1      2.445 ppm2      7.815 CV     1
 OR {  850}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  851}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.40608E-02 ppm1      2.274 ppm2      7.804 CV     1
 OR {  851}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
 OR {  851}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  862}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   862 spectrum    1 weight  0.10000E+01 volume  0.46301E-02 ppm1      2.263 ppm2      4.389 CV     1
 OR {  862}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  865}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   865 spectrum    1 weight  0.10000E+01 volume  0.34871E-02 ppm1      2.120 ppm2      4.387 CV     1
 OR {  865}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  868}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      2.900     1.000     1.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.11288E-02 ppm1      2.198 ppm2      3.331 CV     1
 OR {  868}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI {  872}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.200     0.600     0.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11838E-01 ppm1      2.245 ppm2      2.402 CV     1
 OR {  872}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  872}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  879}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
      1.500     0.300     0.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.36620E-01 ppm1      2.121 ppm2      2.261 CV     1
 OR {  879}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  883}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG2 ))
      3.100     1.200     1.200 peak   883 spectrum    1 weight  0.10000E+01 volume  0.22484E-02 ppm1      2.205 ppm2      1.638 CV     1
 OR {  883}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  890}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.14195E-02 ppm1      1.864 ppm2      8.070 CV     1
 OR {  890}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  900}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.67501E-03 ppm1      1.609 ppm2      7.820 CV     1
 OR {  900}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  901}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.400     1.400 peak   901 spectrum    1 weight  0.10000E+01 volume  0.57457E-03 ppm1      1.868 ppm2      7.816 CV     1
 OR {  901}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  903}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      2.800     1.000     1.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      2.057 ppm2      7.334 CV     1
 OR {  903}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR {  903}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR {  903}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  915}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.66724E-03 ppm1      2.194 ppm2      3.952 CV     1
 OR {  915}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  923}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.51496E-03 ppm1      2.018 ppm2      3.945 CV     1
 OR {  923}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  936}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak   936 spectrum    1 weight  0.10000E+01 volume  0.97800E-03 ppm1      1.870 ppm2      1.062 CV     1
 OR {  936}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  936}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  936}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  936}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  936}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  940}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.18364E-02 ppm1      2.065 ppm2      1.406 CV     1
 OR {  940}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR {  940}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  962}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
      4.900     3.000     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.50453E-03 ppm1      2.058 ppm2      0.993 CV     1
 OR {  962}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  971}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak   971 spectrum    1 weight  0.10000E+01 volume  0.34332E-02 ppm1      2.338 ppm2      8.470 CV     1
 OR {  971}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
 OR {  971}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  975}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.100     1.100 peak   975 spectrum    1 weight  0.10000E+01 volume  0.36259E-02 ppm1      2.840 ppm2      4.259 CV     1
 OR {  975}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  975}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  976}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.29187E-02 ppm1      2.742 ppm2      4.260 CV     1
 OR {  976}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  976}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  977}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.85252E-02 ppm1      2.339 ppm2      4.261 CV     1
 OR {  977}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  977}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  979}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   979 spectrum    1 weight  0.10000E+01 volume  0.38047E-02 ppm1      2.274 ppm2      4.035 CV     1
 OR {  979}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  982}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      4.800     2.900     1.200 peak   982 spectrum    1 weight  0.10000E+01 volume  0.35598E-03 ppm1      2.239 ppm2      4.579 CV     1
 OR {  982}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 70   and name HB  ))
 OR {  982}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  989}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak   989 spectrum    1 weight  0.10000E+01 volume  0.19465E-02 ppm1      2.334 ppm2      1.044 CV     1
 OR {  989}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {  989}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR {  989}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI {  990}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
      2.000     0.500     0.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.12461E-01 ppm1      2.243 ppm2      1.007 CV     1
 OR {  990}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  990}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  993}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      4.000     2.000     2.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.83295E-03 ppm1      2.841 ppm2      1.054 CV     1
 OR {  993}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {  994}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.700     1.700     1.700 peak   994 spectrum    1 weight  0.10000E+01 volume  0.81333E-03 ppm1      2.741 ppm2      1.048 CV     1
 OR {  994}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI { 1006}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.600     1.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.80097E-03 ppm1      2.028 ppm2      7.216 CV     1
 OR { 1006}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1025}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.400     2.400     1.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.13833E-02 ppm1      2.519 ppm2      1.010 CV     1
 OR { 1025}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1025}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1028}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.400     1.400 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.89118E-03 ppm1      2.266 ppm2      0.900 CV     1
 OR { 1028}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1029}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      4.200     2.200     1.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.43523E-03 ppm1      2.035 ppm2      0.901 CV     1
 OR { 1029}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1030}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     2.500     1.600 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.35975E-03 ppm1      2.032 ppm2      0.790 CV     1
 OR { 1030}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1033}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.500     2.500     1.500 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.68159E-03 ppm1      2.262 ppm2      0.795 CV     1
 OR { 1033}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1036}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.74827E-03 ppm1      2.350 ppm2      7.790 CV     1
 OR { 1036}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
 OR { 1036}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1044}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HA  ))
      4.500     2.500     1.500 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.26560E-03 ppm1      2.345 ppm2      4.255 CV     1
 OR { 1044}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 1044}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1047}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HG  ))
      4.400     2.400     1.600 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.65628E-03 ppm1      2.355 ppm2      1.002 CV     1
 OR { 1047}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1047}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1047}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1057}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
      5.100     3.200     0.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.23052E-03 ppm1      2.356 ppm2      8.477 CV     1
 OR { 1057}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1060}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.600     2.700     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.40718E-03 ppm1      2.736 ppm2      8.473 CV     1
 OR { 1060}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 1060}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1062}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.72307E-03 ppm1      2.738 ppm2      4.288 CV     1
 OR { 1062}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1064}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.84923E-03 ppm1      2.351 ppm2      4.287 CV     1
 OR { 1064}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1068}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG11))
      4.100     2.100     1.900 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.53085E-03 ppm1      2.736 ppm2      1.540 CV     1
 OR { 1068}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1086}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.100     0.500     0.500 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.17107E-01 ppm1      2.488 ppm2      2.226 CV     1
 OR { 1086}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1086}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1090}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.300     1.400     1.400 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.46205E-03 ppm1      2.590 ppm2      1.065 CV     1
 OR { 1090}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1090}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1091}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.400     1.500     1.500 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.38565E-03 ppm1      2.469 ppm2      1.061 CV     1
 OR { 1091}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1091}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1091}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1094}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.15869E-02 ppm1      2.595 ppm2      7.815 CV     1
 OR { 1094}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1095}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.400     1.400 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17346E-02 ppm1      2.523 ppm2      7.815 CV     1
 OR { 1095}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1100}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     3.100     2.900 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.54770E-03 ppm1      2.397 ppm2      4.380 CV     1
 OR { 1100}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1116}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      4.100     2.100     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.92176E-03 ppm1      3.098 ppm2      8.356 CV     1
 OR { 1116}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1117}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      3.400     1.400     1.400 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.71023E-03 ppm1      2.789 ppm2      8.355 CV     1
 OR { 1117}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1119}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.56946E-02 ppm1      1.928 ppm2      8.349 CV     1
 OR { 1119}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1128}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.600     1.600     1.600 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.94946E-03 ppm1      3.095 ppm2      0.889 CV     1
 OR { 1128}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1128}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1129}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.000     2.000     2.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.13014E-02 ppm1      2.786 ppm2      0.893 CV     1
 OR { 1129}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1129}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1130}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.400     0.700     0.700 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.48565E-02 ppm1      1.931 ppm2      0.883 CV     1
 OR { 1130}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1131}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      2.700     0.900     0.900 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.37070E-02 ppm1      1.928 ppm2      0.801 CV     1
 OR { 1131}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1141}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      4.500     2.500     1.500 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.58741E-03 ppm1      3.520 ppm2      6.985 CV     1
 OR { 1141}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1142}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
      5.200     3.300     0.800 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.48686E-03 ppm1      3.109 ppm2      6.973 CV     1
 OR { 1142}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
 ASSI { 1144}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.15591E-02 ppm1      3.522 ppm2      4.374 CV     1
 OR { 1144}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1145}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.22619E-02 ppm1      3.108 ppm2      4.373 CV     1
 OR { 1145}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1161}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      4.300     2.300     1.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.79215E-03 ppm1      2.399 ppm2      4.378 CV     1
 OR { 1161}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1178}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA1 ))
      4.800     2.800     1.200 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.34524E-03 ppm1      2.823 ppm2      4.111 CV     1
 OR { 1178}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 1178}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1184}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.700     0.900     0.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.38483E-02 ppm1      3.454 ppm2      0.984 CV     1
 OR { 1184}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1184}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1185}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.32450E-02 ppm1      2.830 ppm2      0.984 CV     1
 OR { 1185}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1185}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1185}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1187}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.300     0.600     0.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.85502E-02 ppm1      1.861 ppm2      1.005 CV     1
 OR { 1187}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1187}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1228}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.700     1.700     1.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.76309E-03 ppm1      2.955 ppm2      1.548 CV     1
 OR { 1228}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1229}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      4.300     2.300     1.700 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.73971E-03 ppm1      2.856 ppm2      1.551 CV     1
 OR { 1229}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1238}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.75620E-03 ppm1      3.320 ppm2      8.049 CV     1
 OR { 1238}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1239}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      3.041 ppm2      8.044 CV     1
 OR { 1239}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1240}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.600     2.600     1.400 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.64438E-03 ppm1      3.323 ppm2      7.212 CV     1
 OR { 1240}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1241}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.600     2.700     1.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.44997E-03 ppm1      3.043 ppm2      7.207 CV     1
 OR { 1241}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1244}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.200     2.200     1.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.72395E-03 ppm1      3.038 ppm2      4.377 CV     1
 OR { 1244}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1247}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.800     1.800     1.800 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.41388E-03 ppm1      3.330 ppm2      4.370 CV     1
 OR { 1247}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1247}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1249}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      4.600     2.600     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.57379E-03 ppm1      2.770 ppm2      4.554 CV     1
 OR { 1249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR { 1249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1249}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1252}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.500     1.500 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.17374E-02 ppm1      3.318 ppm2      1.053 CV     1
 OR { 1252}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1252}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1253}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.15941E-02 ppm1      3.041 ppm2      1.054 CV     1
 OR { 1253}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1253}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1260}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.500     2.600     1.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.41453E-03 ppm1      3.043 ppm2      1.255 CV     1
 OR { 1260}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI { 1276}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.48369E-02 ppm1      2.828 ppm2      8.482 CV     1
 OR { 1276}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1276}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1276}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1278}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.800     2.900     1.200 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.40860E-03 ppm1      2.702 ppm2      8.833 CV     1
 OR { 1278}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1278}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1278}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1282}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.36897E-02 ppm1      3.039 ppm2      8.044 CV     1
 OR { 1282}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1291}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.200     1.200 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.11604E-02 ppm1      1.640 ppm2      4.225 CV     1
 OR { 1291}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1292}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      1.516 ppm2      4.231 CV     1
 OR { 1292}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1317}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.37967E-02 ppm1      3.026 ppm2      4.543 CV     1
 OR { 1317}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1322}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.43713E-02 ppm1      2.673 ppm2      4.543 CV     1
 OR { 1322}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1327}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
      3.300     1.400     1.400 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.21322E-02 ppm1      3.026 ppm2      1.570 CV     1
 OR { 1327}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1327}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1328}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.92202E-03 ppm1      3.021 ppm2      1.407 CV     1
 OR { 1328}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR { 1328}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1330}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      4.100     2.100     1.900 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.99621E-03 ppm1      2.707 ppm2      2.037 CV     1
 OR { 1330}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1330}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1330}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1330}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1331}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      2.703 ppm2      1.400 CV     1
 OR { 1331}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1331}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1331}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1332}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
      3.000     1.100     1.100 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.18337E-02 ppm1      2.674 ppm2      1.571 CV     1
 OR { 1332}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1332}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1336}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.10958E-02 ppm1      3.016 ppm2      1.050 CV     1
 OR { 1336}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1336}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1336}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 1361}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.29711E-02 ppm1      1.439 ppm2      4.362 CV     1
 OR { 1361}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1378}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.700     1.700     1.700 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.10631E-02 ppm1      2.304 ppm2      0.861 CV     1
 OR { 1378}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1384}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.400     0.700     0.700 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.48221E-02 ppm1      1.593 ppm2      0.808 CV     1
 OR { 1384}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1390}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.300     1.300     1.300 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.88429E-03 ppm1      1.586 ppm2      0.606 CV     1
 OR { 1390}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1390}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1404}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.22995E-02 ppm1      1.677 ppm2      7.804 CV     1
 OR { 1404}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1417}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.12422E-02 ppm1      1.568 ppm2      4.901 CV     1
 OR { 1417}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1421}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.900     0.900 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.28158E-02 ppm1      1.597 ppm2      3.891 CV     1
 OR { 1421}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1424}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.63123E-02 ppm1      2.014 ppm2      4.264 CV     1
 OR { 1424}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 1424}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1430}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.32657E-02 ppm1      2.436 ppm2      4.252 CV     1
 OR { 1430}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1440}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.46871E-02 ppm1      1.787 ppm2      1.051 CV     1
 OR { 1440}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1452}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.200     0.600     0.600 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.10694E-01 ppm1      2.006 ppm2      0.988 CV     1
 OR { 1452}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1452}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1452}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1452}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1453}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.200     1.300     1.300 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.26194E-02 ppm1      1.999 ppm2      0.885 CV     1
 OR { 1453}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1453}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1455}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
      2.500     0.800     0.800 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.87036E-02 ppm1      1.568 ppm2      0.992 CV     1
 OR { 1455}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1455}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1456}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.700     0.900     0.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.32689E-02 ppm1      1.585 ppm2      0.883 CV     1
 OR { 1456}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1456}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1457}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.500     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.76611E-02 ppm1      1.420 ppm2      1.035 CV     1
 OR { 1457}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1457}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1459}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.200     2.200     1.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.10864E-02 ppm1      2.225 ppm2      1.120 CV     1
 OR { 1459}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 60   and name HG12))
 OR { 1459}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1477}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      4.200     2.200     1.800 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.79992E-03 ppm1      1.589 ppm2      7.416 CV     1
 OR { 1477}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 1478}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      5.100     3.300     0.900 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.26377E-03 ppm1      1.397 ppm2      7.423 CV     1
 OR { 1478}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 1496}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.27992E-02 ppm1      3.229 ppm2      7.337 CV     1
 OR { 1496}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1497}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.35002E-02 ppm1      3.202 ppm2      7.337 CV     1
 OR { 1497}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1512}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
      3.700     3.700     2.300 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.83446E-03 ppm1      3.440 ppm2      6.878 CV     1
 OR { 1512}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 72   and name HH21))
 OR { 1512}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1512}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 OR { 1512}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1516}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.74362E-03 ppm1      3.438 ppm2      4.370 CV     1
 OR { 1516}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1516}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1539}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HD2 ))
      1.300     0.200     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.49089E-01 ppm1      3.438 ppm2      3.321 CV     1
 OR { 1539}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 1542}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.200     1.200 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.41573E-02 ppm1      3.440 ppm2      2.194 CV     1
 OR { 1542}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1555}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.400     0.700     0.700 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.56617E-02 ppm1      3.439 ppm2      1.959 CV     1
 OR { 1555}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1558}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.400     0.700     0.700 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.40975E-02 ppm1      3.440 ppm2      1.632 CV     1
 OR { 1558}
   (( segid "    " and resid 51   and name HD1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1566}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.65618E-02 ppm1      3.302 ppm2      2.012 CV     1
 OR { 1566}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1566}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1567}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.500     0.800     0.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.55109E-02 ppm1      3.352 ppm2      1.927 CV     1
 OR { 1567}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1574}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.84172E-02 ppm1      4.073 ppm2      8.490 CV     1
 OR { 1574}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1574}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
 OR { 1574}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1594}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HG2%)
      4.200     2.200     1.800 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.55130E-03 ppm1      4.071 ppm2      1.243 CV     1
 OR { 1594}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 1594}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1616}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      4.033 ppm2      4.269 CV     1
 OR { 1616}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 1616}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR { 1616}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HA  ))
 OR { 1616}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1619}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      3.000     1.100     1.100 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.36294E-02 ppm1      4.034 ppm2      1.607 CV     1
 OR { 1619}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1619}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 1619}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1621}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.10566E-02 ppm1      4.092 ppm2      8.073 CV     1
 OR { 1621}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
 OR { 1621}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1639}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HB  ))
      4.500     2.600     1.500 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.69098E-03 ppm1      4.026 ppm2      1.853 CV     1
 OR { 1639}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1640}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 77   and name HG  ))
      3.900     1.900     1.900 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      3.575 ppm2      1.851 CV     1
 OR { 1640}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HB  ))
 ASSI { 1641}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.400     1.500     1.500 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.46726E-02 ppm1      4.024 ppm2      1.004 CV     1
 OR { 1641}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1641}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1641}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1643}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.600     0.600 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.52678E-02 ppm1      3.570 ppm2      1.005 CV     1
 OR { 1643}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1643}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1688}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.300     1.400     1.400 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.18668E-02 ppm1      5.048 ppm2      1.053 CV     1
 OR { 1688}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 1688}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1703}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     1.400     1.400 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.12429E-02 ppm1      4.461 ppm2      2.116 CV     1
 OR { 1703}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1712}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.12594E-02 ppm1      4.340 ppm2      1.052 CV     1
 OR { 1712}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1719}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.40275E-02 ppm1      4.715 ppm2      2.854 CV     1
 OR { 1719}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1719}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1721}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.91800E-02 ppm1      4.718 ppm2      8.478 CV     1
 OR { 1721}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 1721}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1726}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      4.000     2.000     2.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.55062E-03 ppm1      4.100 ppm2      7.780 CV     1
 OR { 1726}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1735}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.800     1.000     1.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.37031E-02 ppm1      4.101 ppm2      0.991 CV     1
 OR { 1735}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1735}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1735}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1736}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.000     1.100     1.100 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.84980E-02 ppm1      4.360 ppm2      0.889 CV     1
 OR { 1736}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1739}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      4.700     2.800     1.300 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.65769E-03 ppm1      4.362 ppm2      0.617 CV     1
 OR { 1739}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 OR { 1739}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1744}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.30772E-02 ppm1      4.329 ppm2      8.467 CV     1
 OR { 1744}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1751}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.45377E-02 ppm1      4.293 ppm2      8.151 CV     1
 OR { 1751}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1758}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.91920E-03 ppm1      4.375 ppm2      8.265 CV     1
 OR { 1758}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1769}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.500     1.500     1.500 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.34485E-02 ppm1      4.326 ppm2      2.343 CV     1
 OR { 1769}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1774}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.12980E-02 ppm1      4.374 ppm2      2.015 CV     1
 OR { 1774}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1774}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 1779}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.41625E-02 ppm1      4.557 ppm2      1.391 CV     1
 OR { 1779}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI { 1784}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.10033E-02 ppm1      5.258 ppm2      1.043 CV     1
 OR { 1784}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1786}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      4.400     2.500     1.600 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.54060E-03 ppm1      4.558 ppm2      0.981 CV     1
 OR { 1786}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1786}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1787}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      4.600     2.600     1.400 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.46880E-03 ppm1      4.371 ppm2      1.116 CV     1
 OR { 1787}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1787}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1791}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.500     1.500 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      3.940 ppm2      8.154 CV     1
 OR { 1791}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1798}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.300     1.400     1.400 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.35574E-02 ppm1      3.942 ppm2      2.218 CV     1
 OR { 1798}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1804}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.300     1.300 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.14932E-02 ppm1      3.939 ppm2      1.088 CV     1
 OR { 1804}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1804}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1805}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.600     1.700     1.700 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.18703E-02 ppm1      3.940 ppm2      1.007 CV     1
 OR { 1805}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1805}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1805}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1806}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.54932E-02 ppm1      3.940 ppm2      0.855 CV     1
 OR { 1806}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1807}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      4.500     2.500     1.500 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.64924E-03 ppm1      3.936 ppm2      1.667 CV     1
 OR { 1807}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 OR { 1807}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1814}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.55803E-02 ppm1      4.468 ppm2      8.505 CV     1
 OR { 1814}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1827}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.700     0.900     0.900 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.59883E-02 ppm1      4.246 ppm2      1.569 CV     1
 OR { 1827}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1828}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      3.800     1.800     1.800 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.10539E-02 ppm1      4.388 ppm2      1.596 CV     1
 OR { 1828}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1834}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
      4.000     2.000     2.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.67141E-03 ppm1      4.466 ppm2      1.237 CV     1
 OR { 1834}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 OR { 1834}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
 OR { 1834}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1834}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 ASSI { 1836}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      3.500     1.500     1.500 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.15126E-02 ppm1      4.472 ppm2      1.009 CV     1
 OR { 1836}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1836}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1837}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.18150E-02 ppm1      4.797 ppm2      8.464 CV     1
 OR { 1837}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1838}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.15362E-02 ppm1      4.620 ppm2      8.827 CV     1
 OR { 1838}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1842}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.500     1.600     1.600 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.86353E-03 ppm1      4.492 ppm2      8.358 CV     1
 OR { 1842}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1844}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.17777E-02 ppm1      4.539 ppm2      8.028 CV     1
 OR { 1844}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1847}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      4.100     2.100     1.900 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.85476E-03 ppm1      4.488 ppm2      7.651 CV     1
 OR { 1847}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1848}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
      3.100     1.200     1.200 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.21136E-02 ppm1      4.622 ppm2      7.351 CV     1
 OR { 1848}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1853}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14697E-02 ppm1      4.729 ppm2      8.040 CV     1
 OR { 1853}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1862}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.69933E-02 ppm1      4.491 ppm2      2.757 CV     1
 OR { 1862}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1865}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.900     1.000     1.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.35916E-02 ppm1      4.543 ppm2      2.027 CV     1
 OR { 1865}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1865}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1872}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.300     1.300 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.24005E-02 ppm1      4.364 ppm2      1.111 CV     1
 OR { 1872}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1874}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      4.200     2.200     1.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.83399E-03 ppm1      4.494 ppm2      0.879 CV     1
 OR { 1874}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1874}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 1875}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.900     1.000     1.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.35754E-02 ppm1      4.729 ppm2      1.054 CV     1
 OR { 1875}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1879}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.27859E-02 ppm1      3.941 ppm2      8.451 CV     1
 OR { 1879}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1886}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.20512E-02 ppm1      4.276 ppm2      8.353 CV     1
 OR { 1886}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 1886}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1898}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.29358E-02 ppm1      4.276 ppm2      7.800 CV     1
 OR { 1898}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1899}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.70992E-03 ppm1      4.308 ppm2      8.052 CV     1
 OR { 1899}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1902}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.67778E-03 ppm1      3.331 ppm2      7.217 CV     1
 OR { 1902}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1903}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      4.100     2.100     1.900 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.46445E-03 ppm1      3.334 ppm2      8.041 CV     1
 OR { 1903}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1919}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.28868E-02 ppm1      4.611 ppm2      2.847 CV     1
 OR { 1919}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1925}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.100     1.100 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.21750E-02 ppm1      3.337 ppm2      1.634 CV     1
 OR { 1925}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1930}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.400     0.700     0.700 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.89269E-02 ppm1      4.279 ppm2      2.016 CV     1
 OR { 1930}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1931}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.86170E-02 ppm1      4.276 ppm2      1.939 CV     1
 OR { 1931}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1934}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.100     1.100 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.27213E-02 ppm1      4.276 ppm2      2.434 CV     1
 OR { 1934}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1935}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      3.000     1.200     1.200 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.17368E-02 ppm1      4.571 ppm2      1.858 CV     1
 OR { 1935}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1940}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.22103E-02 ppm1      3.336 ppm2      1.052 CV     1
 OR { 1940}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 1941}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.10734E-02 ppm1      4.209 ppm2      0.861 CV     1
 OR { 1941}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1943}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.500     1.600 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.94174E-03 ppm1      4.210 ppm2      1.136 CV     1
 OR { 1943}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1946}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.40620E-02 ppm1      4.209 ppm2      1.586 CV     1
 OR { 1946}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1947}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      2.100     0.600     0.600 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.13977E-01 ppm1      4.274 ppm2      1.066 CV     1
 OR { 1947}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 1947}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1948}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.100     0.600     0.600 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.13967E-01 ppm1      4.287 ppm2      0.996 CV     1
 OR { 1948}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 1948}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1948}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1948}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1949}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      4.303 ppm2      0.860 CV     1
 OR { 1949}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1951}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.600     0.900     0.900 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.45561E-02 ppm1      4.570 ppm2      1.003 CV     1
 OR { 1951}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1951}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1951}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1960}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.800     1.800     1.800 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      3.941 ppm2      1.108 CV     1
 OR { 1960}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1966}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.15352E-02 ppm1      4.094 ppm2      8.073 CV     1
 OR { 1966}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1969}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.51716E-02 ppm1      4.258 ppm2      8.255 CV     1
 OR { 1969}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1971}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.19991E-02 ppm1      4.260 ppm2      8.470 CV     1
 OR { 1971}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1972}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.300     1.300 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.12781E-02 ppm1      4.253 ppm2      8.639 CV     1
 OR { 1972}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1980}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.100     1.200     1.200 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.52521E-02 ppm1      4.248 ppm2      2.749 CV     1
 OR { 1980}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 OR { 1980}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1992}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.47269E-02 ppm1      3.897 ppm2      1.591 CV     1
 OR { 1992}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1994}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.100     1.200     1.200 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.14911E-02 ppm1      3.893 ppm2      1.050 CV     1
 OR { 1994}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1994}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2000}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.75672E-02 ppm1      4.273 ppm2      1.824 CV     1
 OR { 2000}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2001}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.600     0.800     0.800 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.48688E-02 ppm1      4.259 ppm2      1.546 CV     1
 OR { 2001}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2006}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.63191E-02 ppm1      4.240 ppm2      8.162 CV     1
 OR { 2006}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 OR { 2006}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2007}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.46893E-02 ppm1      4.239 ppm2      8.478 CV     1
 OR { 2007}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2010}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.500     1.500 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.11402E-02 ppm1      4.364 ppm2      7.735 CV     1
 OR { 2010}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2013}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     0.900     0.900 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.32156E-02 ppm1      4.236 ppm2      7.811 CV     1
 OR { 2013}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 2018}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.300     1.400     1.400 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.20656E-02 ppm1      4.239 ppm2      2.602 CV     1
 OR { 2018}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H2A ))
 OR { 2018}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI { 2021}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.11113E-01 ppm1      4.239 ppm2      2.202 CV     1
 OR { 2021}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2026}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.400     0.700     0.700 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.81787E-02 ppm1      4.240 ppm2      1.656 CV     1
 OR { 2026}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2027}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.70006E-02 ppm1      4.622 ppm2      0.964 CV     1
 OR { 2027}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2034}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.700     2.700     1.300 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.50643E-03 ppm1      4.147 ppm2      8.471 CV     1
 OR { 2034}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 OR { 2034}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2037}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.66995E-03 ppm1      3.616 ppm2      7.821 CV     1
 OR { 2037}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 2038}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.200     1.200 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.18640E-02 ppm1      4.142 ppm2      8.070 CV     1
 OR { 2038}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2045}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.900     1.900     1.900 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      4.318 ppm2      7.336 CV     1
 OR { 2045}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 2045}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2050}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      3.900     1.900     1.900 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.60687E-03 ppm1      3.624 ppm2      4.238 CV     1
 OR { 2050}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2056}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      3.200     1.300     1.300 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.29432E-02 ppm1      4.032 ppm2      2.262 CV     1
 OR { 2056}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2067}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.400     1.400 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      3.619 ppm2      1.052 CV     1
 OR { 2067}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2067}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2067}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2068}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.200     1.300     1.300 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.20667E-02 ppm1      3.621 ppm2      0.801 CV     1
 OR { 2068}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2078}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     1.800     1.800 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.74305E-03 ppm1      3.569 ppm2      8.025 CV     1
 OR { 2078}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2080}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.700     1.700     1.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.67783E-03 ppm1      3.566 ppm2      7.318 CV     1
 OR { 2080}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 OR { 2080}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2084}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      5.000     3.100     1.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.31408E-03 ppm1      4.237 ppm2      2.852 CV     1
 OR { 2084}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 2090}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.500     1.600 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.60102E-03 ppm1      3.567 ppm2      1.117 CV     1
 OR { 2090}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 2090}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2091}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.20424E-02 ppm1      3.567 ppm2      1.420 CV     1
 OR { 2091}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 2093}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      4.000     2.000     2.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.94362E-03 ppm1      3.568 ppm2      0.805 CV     1
 OR { 2093}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 2093}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2094}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
      4.400     2.500     1.600 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.54807E-03 ppm1      4.229 ppm2      1.062 CV     1
 OR { 2094}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2106}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.100     0.600     0.600 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.16841E-01 ppm1      4.367 ppm2      4.103 CV     1
 OR { 2106}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2106}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2111}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      4.500     2.500     1.500 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.67152E-03 ppm1      4.446 ppm2      1.003 CV     1
 OR { 2111}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 2111}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2111}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2111}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2113}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.69098E-02 ppm1      4.517 ppm2      8.483 CV     1
 OR { 2113}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2117}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.63452E-03 ppm1      4.452 ppm2      7.787 CV     1
 OR { 2117}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 OR { 2117}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 2124}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.17909E-02 ppm1      4.539 ppm2      7.733 CV     1
 OR { 2124}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2147}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.11812E-02 ppm1      4.381 ppm2      6.982 CV     1
 OR { 2147}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2160}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      4.300     2.300     1.700 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.11013E-02 ppm1      4.376 ppm2      1.063 CV     1
 OR { 2160}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2162}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      4.000     2.000     2.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.69327E-03 ppm1      4.537 ppm2      0.987 CV     1
 OR { 2162}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 2162}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2162}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2163}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.45747E-02 ppm1      3.806 ppm2      8.463 CV     1
 OR { 2163}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2164}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.000     1.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.43046E-02 ppm1      3.752 ppm2      8.463 CV     1
 OR { 2164}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2181}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      5.100     3.200     0.900 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.35160E-03 ppm1      3.932 ppm2      4.596 CV     1
 OR { 2181}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 2181}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2184}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.15143E-02 ppm1      4.125 ppm2      4.345 CV     1
 OR { 2184}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2184}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2188}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      3.800     1.800     1.800 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.66776E-03 ppm1      4.126 ppm2      2.214 CV     1
 OR { 2188}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2189}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.000     2.000     2.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.39145E-03 ppm1      4.056 ppm2      2.212 CV     1
 OR { 2189}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2195}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
      3.900     1.900     1.900 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.94247E-03 ppm1      4.131 ppm2      1.546 CV     1
 OR { 2195}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2196}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      3.700     1.800     1.800 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.77117E-03 ppm1      4.049 ppm2      1.553 CV     1
 OR { 2196}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2198}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
      5.300     3.500     0.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.21335E-03 ppm1      3.808 ppm2      2.125 CV     1
 OR { 2198}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2198}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2199}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
      4.900     3.000     1.100 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.29518E-03 ppm1      3.751 ppm2      2.117 CV     1
 OR { 2199}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 2199}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2201}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.200     0.600     0.600 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.78417E-02 ppm1      3.934 ppm2      1.007 CV     1
 OR { 2201}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2201}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2202}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.34953E-02 ppm1      3.748 ppm2      8.348 CV     1
 OR { 2202}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2204}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      5.200     3.400     0.800 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.22767E-03 ppm1      3.746 ppm2      7.972 CV     1
 OR { 2204}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 2206}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.900     0.900 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.39557E-02 ppm1      3.748 ppm2      1.929 CV     1
 OR { 2206}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2210}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.700     0.900     0.900 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.31716E-02 ppm1      3.747 ppm2      0.982 CV     1
 OR { 2210}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2210}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2211}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.700     0.700 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.93950E-02 ppm1      3.748 ppm2      0.882 CV     1
 OR { 2211}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2218}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.17507E-02 ppm1      3.931 ppm2      8.254 CV     1
 OR { 2218}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2219}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.43375E-03 ppm1      3.935 ppm2      7.823 CV     1
 OR { 2219}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2220}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.17436E-02 ppm1      4.232 ppm2      7.806 CV     1
 OR { 2220}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 2232}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      4.900     3.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.38464E-03 ppm1      4.338 ppm2      2.862 CV     1
 OR { 2232}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2241}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.30763E-02 ppm1      4.232 ppm2      1.117 CV     1
 OR { 2241}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 2241}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2242}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      3.500     1.500     1.500 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.18261E-02 ppm1      4.228 ppm2      1.026 CV     1
 OR { 2242}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2243}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.12170E-02 ppm1      4.232 ppm2      0.897 CV     1
 OR { 2243}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2251}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.100     1.100 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.19620E-02 ppm1      3.867 ppm2      8.836 CV     1
 OR { 2251}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2256}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.12898E-02 ppm1      3.866 ppm2      1.582 CV     1
 OR { 2256}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2259}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.26912E-02 ppm1      3.868 ppm2      0.812 CV     1
 OR { 2259}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2261}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.900     3.000     1.100 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.39848E-03 ppm1      3.870 ppm2      1.041 CV     1
 OR { 2261}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2264}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.53356E-03 ppm1      3.954 ppm2      8.486 CV     1
 OR { 2264}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2266}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.12925E-02 ppm1      3.952 ppm2      8.162 CV     1
 OR { 2266}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2271}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.21393E-02 ppm1      3.953 ppm2      2.196 CV     1
 OR { 2271}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 2275}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      3.800     1.800     1.800 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.79794E-03 ppm1      3.952 ppm2      1.661 CV     1
 OR { 2275}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2281}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.700     2.700     1.300 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.38053E-03 ppm1      4.315 ppm2      7.331 CV     1
 OR { 2281}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2288}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     2.400     1.600 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.60551E-03 ppm1      4.316 ppm2      0.789 CV     1
 OR { 2288}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2289}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.300     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.25136E-02 ppm1      4.369 ppm2      8.483 CV     1
 OR { 2289}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2313}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      3.000     1.100     1.100 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.18630E-02 ppm1      6.757 ppm2      0.902 CV     1
 OR { 2313}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2317}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      6.809 ppm2      0.886 CV     1
 OR { 2317}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2318}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.91894E-03 ppm1      6.758 ppm2      1.049 CV     1
 OR { 2318}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2318}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2318}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2318}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2320}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
      2.600     0.800     0.800 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.47598E-02 ppm1      6.757 ppm2      1.536 CV     1
 OR { 2320}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2321}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      3.700     1.700     1.700 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      6.757 ppm2      1.441 CV     1
 OR { 2321}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 2323}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HB1 ))
      4.300     2.300     1.700 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.72333E-03 ppm1      6.761 ppm2      1.645 CV     1
 OR { 2323}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2324}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HG  ))
      3.400     1.400     1.400 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.18900E-02 ppm1      6.809 ppm2      1.554 CV     1
 OR { 2324}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
 OR { 2324}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2325}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.14422E-02 ppm1      6.811 ppm2      1.376 CV     1
 OR { 2325}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
 OR { 2325}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2326}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.700     1.700     1.700 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.12580E-02 ppm1      6.758 ppm2      1.844 CV     1
 OR { 2326}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 2336}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.000     1.100     1.100 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.17578E-02 ppm1      6.813 ppm2      3.000 CV     1
 OR { 2336}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 2339}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.17061E-02 ppm1      6.758 ppm2      3.934 CV     1
 OR { 2339}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 48   and name HA  ))
 OR { 2339}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2350}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.66416E-03 ppm1      6.759 ppm2      8.462 CV     1
 OR { 2350}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
 OR { 2350}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2351}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG2%)
      4.000     2.000     2.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.62273E-03 ppm1      6.895 ppm2      1.109 CV     1
 OR { 2351}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
 OR { 2351}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2353}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.400     2.400     1.600 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.46599E-03 ppm1      6.893 ppm2      0.887 CV     1
 OR { 2353}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 2353}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2364}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.900     3.100     1.100 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.24839E-03 ppm1      7.337 ppm2      0.897 CV     1
 OR { 2364}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2374}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.400     1.400 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.20013E-02 ppm1      7.222 ppm2      0.898 CV     1
 OR { 2374}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2375}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      4.000     2.000     2.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.68612E-03 ppm1      7.220 ppm2      0.794 CV     1
 OR { 2375}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 OR { 2375}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2379}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.72614E-03 ppm1      6.970 ppm2      0.997 CV     1
 OR { 2379}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2380}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      3.500     1.500     1.500 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.10577E-02 ppm1      6.968 ppm2      0.893 CV     1
 OR { 2380}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2385}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
      3.000     1.100     1.100 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.16989E-02 ppm1      7.220 ppm2      1.386 CV     1
 OR { 2385}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
 OR { 2385}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 2387}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.15299E-02 ppm1      7.220 ppm2      2.036 CV     1
 OR { 2387}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2387}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2389}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      4.500     2.500     1.500 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.27671E-03 ppm1      6.963 ppm2      1.659 CV     1
 OR { 2389}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2392}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
      4.300     2.300     1.700 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.43243E-03 ppm1      7.218 ppm2      3.312 CV     1
 OR { 2392}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2395}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.50389E-03 ppm1      7.221 ppm2      8.050 CV     1
 OR { 2395}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
 OR { 2395}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2399}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG2%)
      4.200     2.200     1.800 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.49112E-03 ppm1      7.181 ppm2      1.105 CV     1
 OR { 2399}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 48   and name HG2%)
 OR { 2399}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2400}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.600     2.700     1.400 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.45425E-03 ppm1      7.187 ppm2      1.508 CV     1
 OR { 2400}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2400}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2402}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      3.200     1.300     1.300 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.13318E-02 ppm1      7.183 ppm2      2.958 CV     1
 OR { 2402}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 2403}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.68529E-03 ppm1      7.182 ppm2      2.838 CV     1
 OR { 2403}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 2407}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 35   and name HE% )
      2.900     1.100     1.100 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.13049E-02 ppm1      7.188 ppm2      6.975 CV     1
 OR { 2407}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 40   and name HD% )
 ASSI { 2412}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      4.600     2.700     1.400 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.65451E-03 ppm1      6.993 ppm2      4.374 CV     1
 OR { 2412}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2419}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.800     1.000     1.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.33795E-02 ppm1      6.994 ppm2      1.544 CV     1
 OR { 2419}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2419}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.300     1.400     1.400 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.79820E-03 ppm1      6.990 ppm2      1.048 CV     1
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 OR { 2421}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2428}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
      3.700     1.700     1.700 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.14591E-02 ppm1      7.316 ppm2      1.052 CV     1
 OR { 2428}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2428}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 OR { 2428}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2428}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2429}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      7.316 ppm2      0.903 CV     1
 OR { 2429}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2430}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.91289E-03 ppm1      7.315 ppm2      0.797 CV     1
 OR { 2430}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2431}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HG2 ))
      4.200     2.200     1.800 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.76178E-03 ppm1      7.316 ppm2      1.245 CV     1
 OR { 2431}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HG  ))
 ASSI { 2432}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      2.400     0.700     0.700 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.24558E-02 ppm1      7.316 ppm2      1.393 CV     1
 OR { 2432}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2434}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.11749E-02 ppm1      7.314 ppm2      2.029 CV     1
 OR { 2434}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2436}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.49193E-02 ppm1      7.317 ppm2      3.314 CV     1
 OR { 2436}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2441}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.35800E-02 ppm1      7.315 ppm2      8.050 CV     1
 OR { 2441}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2444}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
      4.800     2.900     1.200 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.43694E-03 ppm1      7.415 ppm2      4.107 CV     1
 OR { 2444}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 OR { 2444}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2449}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.100     1.200     1.200 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.91862E-03 ppm1      7.416 ppm2      1.861 CV     1
 OR { 2449}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 82   and name HG  ))
 ASSI { 2451}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.400     1.400 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      7.417 ppm2      1.551 CV     1
 OR { 2451}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HG  ))
 OR { 2451}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB1 ))
 OR { 2451}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 82   and name HB2 ))
 OR { 2451}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 60   and name HG11))
 ASSI { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
      2.800     1.000     1.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.51208E-02 ppm1      7.416 ppm2      0.999 CV     1
 OR { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
 OR { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD1%)
 OR { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
 OR { 2454}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2455}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.800     1.800     1.800 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.79090E-03 ppm1      7.413 ppm2      0.880 CV     1
 OR { 2455}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
 OR { 2455}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 OR { 2455}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2458}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.600     0.900     0.900 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.50136E-02 ppm1      0.603 ppm2      0.867 CV     1
 OR { 2458}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 OR { 2458}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2459}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
      2.700     0.900     0.900 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.60233E-02 ppm1      0.629 ppm2      0.889 CV     1
 OR { 2459}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2460}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
      3.200     1.300     1.300 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.19818E-02 ppm1      0.632 ppm2      0.995 CV     1
 OR { 2460}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
 OR { 2460}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2462}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HD21))
      4.400     2.400     1.600 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.52855E-03 ppm1      4.361 ppm2      7.424 CV     1
 OR { 2462}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 2465}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      3.400     1.400     1.400 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.19322E-02 ppm1      0.598 ppm2      0.795 CV     1
 OR { 2465}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2466}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      3.200     1.300     1.300 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.20224E-02 ppm1      0.598 ppm2      1.025 CV     1
 OR { 2466}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2472}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.200     0.600     0.600 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.12404E-01 ppm1      1.008 ppm2      0.870 CV     1
 OR { 2472}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {    4}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 70   and name HG2%)
      3.000     3.000     3.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.70470E-03 ppm1      9.063 ppm2      1.046 CV     1
 OR {    4}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   14}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.72458E-03 ppm1      7.326 ppm2      4.313 CV     1
 OR {   14}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {   48}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.11658E-02 ppm1      7.751 ppm2      4.361 CV     1
 OR {   48}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {   63}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD1%)
      2.900     2.900     3.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.85069E-03 ppm1      7.652 ppm2      0.970 CV     1
 OR {   63}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {   67}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
      3.900     1.900     1.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.93219E-03 ppm1      7.413 ppm2      0.885 CV     1
 OR {   67}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {   69}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.96444E-03 ppm1      7.650 ppm2      1.592 CV     1
 OR {   69}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   73}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
      3.200     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.12051E-02 ppm1      7.407 ppm2      1.588 CV     1
 OR {   73}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   87}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.500     1.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.37408E-02 ppm1      7.449 ppm2      2.440 CV     1
 OR {   87}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {   97}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.300     1.300 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13797E-02 ppm1      7.450 ppm2      7.803 CV     1
 OR {   97}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  110}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.49847E-02 ppm1      7.947 ppm2      7.433 CV     1
 OR {  110}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
 ASSI {  113}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.200     2.200     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.46084E-03 ppm1      8.347 ppm2      0.981 CV     1
 OR {  113}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  113}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  113}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  113}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  115}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.300     2.400     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.88868E-03 ppm1      8.348 ppm2      1.619 CV     1
 OR {  115}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  122}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.85831E-03 ppm1      8.347 ppm2      4.483 CV     1
 OR {  122}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  141}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.71039E-03 ppm1      8.030 ppm2      3.332 CV     1
 OR {  141}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  145}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.94409E-03 ppm1      8.032 ppm2      1.048 CV     1
 OR {  145}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 OR {  145}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  149}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.700     1.700     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13139E-02 ppm1      8.050 ppm2      0.976 CV     1
 OR {  149}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  149}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  149}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  150}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.500     2.500     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.63677E-03 ppm1      8.054 ppm2      1.355 CV     1
 OR {  150}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI {  151}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.24033E-02 ppm1      8.053 ppm2      1.548 CV     1
 OR {  151}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  157}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.77650E-02 ppm1      8.056 ppm2      4.102 CV     1
 OR {  157}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  157}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  157}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  157}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  162}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      2.600     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.38043E-02 ppm1      8.051 ppm2      7.418 CV     1
 OR {  162}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  163}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.63468E-02 ppm1      8.054 ppm2      8.208 CV     1
 OR {  163}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  167}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10981E-02 ppm1      7.425 ppm2      8.059 CV     1
 OR {  167}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  183}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.500     1.500     1.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      9.077 ppm2      1.406 CV     1
 OR {  183}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  191}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.800     2.900     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.32145E-03 ppm1      9.074 ppm2      8.831 CV     1
 OR {  191}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  202}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      4.000     2.000     2.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.39489E-03 ppm1      8.240 ppm2      4.060 CV     1
 OR {  202}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 OR {  202}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  205}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.34019E-02 ppm1      8.239 ppm2      8.496 CV     1
 OR {  205}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  208}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.10320E-02 ppm1      7.799 ppm2      4.374 CV     1
 OR {  208}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  208}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  213}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.49410E-03 ppm1      7.804 ppm2      3.930 CV     1
 OR {  213}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  214}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.300     3.300     2.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.47815E-03 ppm1      7.796 ppm2      2.378 CV     1
 OR {  214}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
 OR {  214}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  215}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19670E-02 ppm1      7.800 ppm2      2.254 CV     1
 OR {  215}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  219}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.700     1.700     1.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.55876E-03 ppm1      7.795 ppm2      1.122 CV     1
 OR {  219}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  226}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.11782E-02 ppm1      7.704 ppm2      4.369 CV     1
 OR {  226}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  241}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.48395E-02 ppm1      8.829 ppm2      1.394 CV     1
 OR {  241}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  242}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      5.100     3.200     0.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.22392E-03 ppm1      8.828 ppm2      1.575 CV     1
 OR {  242}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  242}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  244}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.65357E-03 ppm1      8.831 ppm2      0.798 CV     1
 OR {  244}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  254}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.45388E-03 ppm1      8.278 ppm2      4.715 CV     1
 OR {  254}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  255}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.500     1.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      8.276 ppm2      8.569 CV     1
 OR {  255}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  274}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.400     1.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.12502E-02 ppm1      8.013 ppm2      1.680 CV     1
 OR {  274}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  275}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.800     2.800     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.45677E-03 ppm1      8.015 ppm2      1.401 CV     1
 OR {  275}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  276}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.700     2.700     1.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.30451E-03 ppm1      8.011 ppm2      2.285 CV     1
 OR {  276}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  277}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.91842E-02 ppm1      8.015 ppm2      2.032 CV     1
 OR {  277}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  277}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  277}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  280}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.500     1.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.20345E-02 ppm1      8.438 ppm2      1.048 CV     1
 OR {  280}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  280}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  291}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.15891E-02 ppm1      8.437 ppm2      4.718 CV     1
 OR {  291}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  300}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.300     1.400     1.400 peak   300 spectrum    1 weight  0.10000E+01 volume  0.34219E-02 ppm1      7.809 ppm2      2.445 CV     1
 OR {  300}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  308}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.68294E-03 ppm1      7.810 ppm2      1.042 CV     1
 OR {  308}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  308}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  310}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      5.100     3.300     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.31250E-03 ppm1      9.610 ppm2      1.053 CV     1
 OR {  310}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  312}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.98708E-03 ppm1      9.611 ppm2      1.836 CV     1
 OR {  312}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  319}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.45158E-02 ppm1      9.610 ppm2      4.365 CV     1
 OR {  319}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  330}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.43680E-02 ppm1      8.499 ppm2      2.751 CV     1
 OR {  330}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR {  330}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  340}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.200     2.200     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.57207E-03 ppm1      7.648 ppm2      4.103 CV     1
 OR {  340}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  348}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   348 spectrum    1 weight  0.10000E+01 volume  0.27867E-02 ppm1      8.872 ppm2      0.881 CV     1
 OR {  348}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  358}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.000     2.000     2.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10149E-02 ppm1      8.872 ppm2      0.982 CV     1
 OR {  358}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  358}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  358}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  362}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.100     2.100     1.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.58542E-03 ppm1      8.869 ppm2      1.611 CV     1
 OR {  362}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  362}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  368}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     2.900     3.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.18520E-02 ppm1      8.995 ppm2      1.044 CV     1
 OR {  368}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  368}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  368}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  369}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      5.000     3.100     1.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.28531E-03 ppm1      8.996 ppm2      1.132 CV     1
 OR {  369}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  380}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.59111E-03 ppm1      8.994 ppm2      4.232 CV     1
 OR {  380}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  394}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.600     0.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.71884E-02 ppm1      8.872 ppm2      8.354 CV     1
 OR {  394}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  396}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.22545E-02 ppm1      8.995 ppm2      7.815 CV     1
 OR {  396}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  404}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.700     1.700     1.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.58589E-03 ppm1      8.586 ppm2      4.251 CV     1
 OR {  404}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  412}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.800     2.900     1.200 peak   412 spectrum    1 weight  0.10000E+01 volume  0.44794E-03 ppm1      8.591 ppm2      0.796 CV     1
 OR {  412}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  413}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.000     2.000     2.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.42341E-03 ppm1      8.589 ppm2      1.125 CV     1
 OR {  413}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  413}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI {  414}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.600     2.600     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.70976E-03 ppm1      8.593 ppm2      0.868 CV     1
 OR {  414}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  426}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.88988E-03 ppm1      7.793 ppm2      4.466 CV     1
 OR {  426}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  440}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.22950E-02 ppm1      7.766 ppm2      3.958 CV     1
 OR {  440}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  441}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      2.900     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.24242E-02 ppm1      7.766 ppm2      4.102 CV     1
 OR {  441}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  446}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.19578E-02 ppm1      7.593 ppm2      1.842 CV     1
 OR {  446}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  447}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.70037E-02 ppm1      7.494 ppm2      1.010 CV     1
 OR {  447}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  447}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  449}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.100     2.100     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.53732E-03 ppm1      8.312 ppm2      1.650 CV     1
 OR {  449}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  457}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.35570E-02 ppm1      8.314 ppm2      3.945 CV     1
 OR {  457}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  460}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.300     1.300 peak   460 spectrum    1 weight  0.10000E+01 volume  0.15922E-02 ppm1      8.313 ppm2      4.241 CV     1
 OR {  460}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  467}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.17129E-02 ppm1      7.593 ppm2      4.364 CV     1
 OR {  467}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  472}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.800     1.800     1.800 peak   472 spectrum    1 weight  0.10000E+01 volume  0.91158E-03 ppm1      7.591 ppm2      2.209 CV     1
 OR {  472}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  475}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      5.000     3.100     1.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.27786E-03 ppm1      7.590 ppm2      1.059 CV     1
 OR {  475}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  480}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.18120E-02 ppm1      7.544 ppm2      3.343 CV     1
 OR {  480}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  481}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.82512E-03 ppm1      7.544 ppm2      3.038 CV     1
 OR {  481}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  484}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     0.600     0.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.59862E-02 ppm1      7.543 ppm2      8.041 CV     1
 OR {  484}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  487}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.000     1.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.34611E-02 ppm1      7.493 ppm2      4.579 CV     1
 OR {  487}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  490}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.900     3.000     1.100 peak   490 spectrum    1 weight  0.10000E+01 volume  0.37638E-03 ppm1      7.494 ppm2      4.106 CV     1
 OR {  490}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  497}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   497 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      8.795 ppm2      1.433 CV     1
 OR {  497}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  498}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      8.368 ppm2      1.123 CV     1
 OR {  498}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  498}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  499}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.90407E-03 ppm1      8.365 ppm2      1.027 CV     1
 OR {  499}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  501}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.100     2.100     1.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.11482E-02 ppm1      8.794 ppm2      0.854 CV     1
 OR {  501}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  502}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.900     3.000     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.56320E-03 ppm1      8.791 ppm2      1.009 CV     1
 OR {  502}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  504}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.300     1.300     1.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.26181E-02 ppm1      8.794 ppm2      2.220 CV     1
 OR {  504}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  507}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.22843E-02 ppm1      8.795 ppm2      4.298 CV     1
 OR {  507}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  515}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.29825E-02 ppm1      8.364 ppm2      4.367 CV     1
 OR {  515}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  517}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.300     2.300     1.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.35728E-03 ppm1      8.368 ppm2      4.035 CV     1
 OR {  517}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  523}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.900     3.000     1.100 peak   523 spectrum    1 weight  0.10000E+01 volume  0.43609E-03 ppm1      8.367 ppm2      2.270 CV     1
 OR {  523}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  528}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.500     1.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.11139E-02 ppm1      8.810 ppm2      1.912 CV     1
 OR {  528}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  535}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.100     1.200     1.200 peak   535 spectrum    1 weight  0.10000E+01 volume  0.18115E-02 ppm1      8.810 ppm2      7.327 CV     1
 OR {  535}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  537}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak   537 spectrum    1 weight  0.10000E+01 volume  0.56977E-02 ppm1      8.812 ppm2      8.039 CV     1
 OR {  537}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  545}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.700     1.700     1.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.13276E-02 ppm1      8.337 ppm2      0.802 CV     1
 OR {  545}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  546}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.13667E-02 ppm1      8.338 ppm2      0.981 CV     1
 OR {  546}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  546}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  546}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  549}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.700     1.700     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.23821E-02 ppm1      8.338 ppm2      0.884 CV     1
 OR {  549}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  552}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.81171E-02 ppm1      8.337 ppm2      1.928 CV     1
 OR {  552}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  555}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.84036E-03 ppm1      8.339 ppm2      4.277 CV     1
 OR {  555}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  560}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.51117E-02 ppm1      7.791 ppm2      2.436 CV     1
 OR {  560}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  561}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.800     1.800     1.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.52506E-03 ppm1      7.881 ppm2      1.412 CV     1
 OR {  561}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  561}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  570}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.27521E-02 ppm1      7.878 ppm2      4.540 CV     1
 OR {  570}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  574}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.43586E-03 ppm1      7.889 ppm2      8.829 CV     1
 OR {  574}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  577}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      7.792 ppm2      4.253 CV     1
 OR {  577}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  577}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  579}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.75458E-03 ppm1      7.789 ppm2      2.279 CV     1
 OR {  579}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  583}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      5.000     3.100     1.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.38593E-03 ppm1      7.719 ppm2      1.111 CV     1
 OR {  583}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  583}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  584}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.94957E-03 ppm1      7.719 ppm2      1.025 CV     1
 OR {  584}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  584}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  597}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      4.400     2.400     1.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.57321E-03 ppm1      8.197 ppm2      7.428 CV     1
 OR {  597}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  599}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.76940E-02 ppm1      8.198 ppm2      4.098 CV     1
 OR {  599}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  599}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  608}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.300     2.300     1.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      8.197 ppm2      0.975 CV     1
 OR {  608}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  611}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.400     1.400     1.400 peak   611 spectrum    1 weight  0.10000E+01 volume  0.21726E-02 ppm1      8.250 ppm2      0.888 CV     1
 OR {  611}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  612}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.54853E-03 ppm1      8.255 ppm2      0.793 CV     1
 OR {  612}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  612}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  615}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.300     2.300     1.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.55370E-03 ppm1      8.145 ppm2      1.107 CV     1
 OR {  615}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  616}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.900     3.000     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.41355E-03 ppm1      8.147 ppm2      1.007 CV     1
 OR {  616}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  616}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  616}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  616}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  616}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  617}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.600     2.700     1.400 peak   617 spectrum    1 weight  0.10000E+01 volume  0.45681E-03 ppm1      8.139 ppm2      0.855 CV     1
 OR {  617}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  617}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  617}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  619}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.200     0.600     0.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.87464E-02 ppm1      8.247 ppm2      1.630 CV     1
 OR {  619}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  620}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.59393E-02 ppm1      8.247 ppm2      1.549 CV     1
 OR {  620}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  624}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.500     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.55454E-02 ppm1      8.140 ppm2      1.559 CV     1
 OR {  624}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  625}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.000     2.000     2.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.16644E-02 ppm1      8.152 ppm2      1.743 CV     1
 OR {  625}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  628}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.10153E-01 ppm1      8.246 ppm2      2.258 CV     1
 OR {  628}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  630}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.600     1.700     1.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.59951E-03 ppm1      8.148 ppm2      2.323 CV     1
 OR {  630}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  630}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  631}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.300     0.700     0.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.60322E-02 ppm1      8.154 ppm2      2.197 CV     1
 OR {  631}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  637}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.17841E-02 ppm1      8.246 ppm2      4.034 CV     1
 OR {  637}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 OR {  637}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 OR {  637}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  638}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.32121E-02 ppm1      8.246 ppm2      3.936 CV     1
 OR {  638}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  640}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.21208E-02 ppm1      8.148 ppm2      3.946 CV     1
 OR {  640}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  640}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  640}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  641}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.62143E-02 ppm1      8.150 ppm2      4.253 CV     1
 OR {  641}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  641}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  641}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  642}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.600     0.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.95504E-02 ppm1      8.248 ppm2      4.249 CV     1
 OR {  642}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
 OR {  642}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  642}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  644}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.23289E-02 ppm1      8.246 ppm2      4.360 CV     1
 OR {  644}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  644}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  644}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  647}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.33169E-02 ppm1      8.139 ppm2      8.662 CV     1
 OR {  647}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  648}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.50711E-02 ppm1      8.154 ppm2      8.484 CV     1
 OR {  648}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  650}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.000     0.500     0.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.13345E-01 ppm1      8.246 ppm2      8.454 CV     1
 OR {  650}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  650}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  653}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.32646E-02 ppm1      8.246 ppm2      7.805 CV     1
 OR {  653}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  678}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.200     2.200     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.85888E-03 ppm1      8.483 ppm2      1.653 CV     1
 OR {  678}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  679}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.100     2.100     1.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.69693E-03 ppm1      8.488 ppm2      1.554 CV     1
 OR {  679}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  679}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
 ASSI {  680}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.600     0.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.56914E-02 ppm1      8.490 ppm2      2.060 CV     1
 OR {  680}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  683}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.73517E-02 ppm1      8.476 ppm2      2.215 CV     1
 OR {  683}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 OR {  683}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  689}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.34543E-02 ppm1      8.486 ppm2      8.248 CV     1
 OR {  689}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 OR {  689}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  693}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.400     1.400 peak   693 spectrum    1 weight  0.10000E+01 volume  0.33823E-02 ppm1      8.741 ppm2      1.688 CV     1
 OR {  693}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  698}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      2.900     1.100     1.100 peak   698 spectrum    1 weight  0.10000E+01 volume  0.14066E-02 ppm1      7.950 ppm2      1.842 CV     1
 OR {  698}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
 ASSI {  706}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.100     3.300     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.30170E-03 ppm1      9.114 ppm2      7.807 CV     1
 OR {  706}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  708}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.400     2.500     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.10912E-02 ppm1      8.741 ppm2      0.871 CV     1
 OR {  708}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  710}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.300     1.300     1.300 peak   710 spectrum    1 weight  0.10000E+01 volume  0.20867E-02 ppm1      8.740 ppm2      1.122 CV     1
 OR {  710}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  712}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.900     3.000     1.100 peak   712 spectrum    1 weight  0.10000E+01 volume  0.41903E-03 ppm1      8.741 ppm2      0.976 CV     1
 OR {  712}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  717}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak   717 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      8.742 ppm2      4.254 CV     1
 OR {  717}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  717}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  718}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.36643E-02 ppm1      8.741 ppm2      7.803 CV     1
 OR {  718}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI {  726}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.800     2.800     1.200 peak   726 spectrum    1 weight  0.10000E+01 volume  0.45576E-03 ppm1      8.682 ppm2      1.004 CV     1
 OR {  726}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  726}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  728}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.700     2.700     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.37459E-03 ppm1      8.026 ppm2      0.876 CV     1
 OR {  728}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  728}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  732}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.400     2.400     1.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.57462E-03 ppm1      8.022 ppm2      1.394 CV     1
 OR {  732}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  732}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  736}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.400     2.400     1.600 peak   736 spectrum    1 weight  0.10000E+01 volume  0.61219E-03 ppm1      8.021 ppm2      2.054 CV     1
 OR {  736}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  736}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  742}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.600     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.11703E-02 ppm1      8.024 ppm2      4.542 CV     1
 OR {  742}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  746}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.46389E-02 ppm1      7.950 ppm2      7.780 CV     1
 OR {  746}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  752}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.49687E-02 ppm1      7.947 ppm2      4.275 CV     1
 OR {  752}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {  762}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.15658E-02 ppm1      8.342 ppm2      1.040 CV     1
 OR {  762}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  768}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.500     1.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.17049E-02 ppm1      8.033 ppm2      3.037 CV     1
 OR {  768}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  780}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.24562E-02 ppm1      8.343 ppm2      4.378 CV     1
 OR {  780}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  784}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.700     2.800     1.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.85351E-03 ppm1      8.342 ppm2      2.938 CV     1
 OR {  784}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  786}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.80065E-03 ppm1      8.343 ppm2      1.830 CV     1
 OR {  786}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  791}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      5.200     3.400     0.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.34218E-03 ppm1      8.038 ppm2      0.794 CV     1
 OR {  791}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  795}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.100     3.300     0.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.29942E-03 ppm1      8.029 ppm2      1.049 CV     1
 OR {  795}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  802}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.47520E-03 ppm1      8.029 ppm2      7.222 CV     1
 OR {  802}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  810}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.73668E-03 ppm1      7.208 ppm2      3.036 CV     1
 OR {  810}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.21978E-02 ppm1      7.209 ppm2      1.052 CV     1
 OR {  815}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  815}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  829}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      2.800     1.000     1.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.50673E-02 ppm1      8.213 ppm2      0.999 CV     1
 OR {  829}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  832}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.100     2.100     1.900 peak   832 spectrum    1 weight  0.10000E+01 volume  0.17774E-02 ppm1      7.968 ppm2      0.985 CV     1
 OR {  832}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  832}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  837}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.36252E-02 ppm1      8.213 ppm2      4.103 CV     1
 OR {  837}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  850}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.43484E-03 ppm1      8.154 ppm2      2.854 CV     1
 OR {  850}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  851}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.31069E-02 ppm1      8.085 ppm2      2.860 CV     1
 OR {  851}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  857}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      5.200     3.400     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.36083E-03 ppm1      8.156 ppm2      2.335 CV     1
 OR {  857}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  857}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  863}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.32423E-02 ppm1      7.845 ppm2      4.366 CV     1
 OR {  863}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  865}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.200     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.845 ppm2      8.247 CV     1
 OR {  865}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  869}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   869 spectrum    1 weight  0.10000E+01 volume  0.64710E-02 ppm1      7.968 ppm2      4.273 CV     1
 OR {  869}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.200     2.200     1.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.70908E-03 ppm1      8.650 ppm2      0.860 CV     1
 OR {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 42   and name H6% )
 ASSI {  888}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.400     2.400     1.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.47589E-03 ppm1      8.651 ppm2      1.011 CV     1
 OR {  888}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  888}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  891}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.47503E-02 ppm1      8.650 ppm2      3.938 CV     1
 OR {  891}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  892}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak   892 spectrum    1 weight  0.10000E+01 volume  0.11296E-02 ppm1      8.653 ppm2      4.253 CV     1
 OR {  892}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  892}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  896}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.14143E-02 ppm1      8.585 ppm2      8.478 CV     1
 OR {  896}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  913}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.400     2.400     1.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.92911E-03 ppm1      7.863 ppm2      1.047 CV     1
 OR {  913}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {  917}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak   917 spectrum    1 weight  0.10000E+01 volume  0.53429E-03 ppm1      7.862 ppm2      2.848 CV     1
 OR {  917}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  922}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.600     1.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.69886E-03 ppm1      7.621 ppm2      4.281 CV     1
 OR {  922}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  923}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.46828E-02 ppm1      7.862 ppm2      4.268 CV     1
 OR {  923}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  935}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.23270E-02 ppm1      9.413 ppm2      0.984 CV     1
 OR {  935}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  936}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.700     1.700     1.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.19677E-02 ppm1      9.413 ppm2      0.888 CV     1
 OR {  936}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  936}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  938}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.500     2.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.86097E-03 ppm1      9.414 ppm2      1.710 CV     1
 OR {  938}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  958}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      4.200     2.200     1.800 peak   958 spectrum    1 weight  0.10000E+01 volume  0.75114E-03 ppm1      8.161 ppm2      0.977 CV     1
 OR {  958}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  964}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.200     2.200     1.800 peak   964 spectrum    1 weight  0.10000E+01 volume  0.95176E-03 ppm1      8.451 ppm2      1.008 CV     1
 OR {  964}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  964}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  978}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.500     2.500     1.500 peak   978 spectrum    1 weight  0.10000E+01 volume  0.60045E-03 ppm1      8.132 ppm2      1.003 CV     1
 OR {  978}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  978}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  979}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      2.300     0.700     0.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.68498E-02 ppm1      8.130 ppm2      4.102 CV     1
 OR {  979}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  991}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     1.000     1.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.78594E-02 ppm1      8.464 ppm2      2.339 CV     1
 OR {  991}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {  991}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  994}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.48260E-02 ppm1      8.462 ppm2      4.243 CV     1
 OR {  994}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {   19}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 42   and name H6% )
      4.100     2.100     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.12212E-02 ppm1      3.926 ppm2      0.848 CV     1
 OR {   19}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 42   and name H6% )
 OR {   19}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 42   and name H6% )
 ASSI {   20}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
      4.600     2.600     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.79058E-03 ppm1      3.939 ppm2      1.260 CV     1
 OR {   20}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   20}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   20}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   20}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   20}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   20}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   20}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   20}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   20}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   20}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   20}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 ASSI {   21}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H6% )
      4.000     2.000     2.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.86107E-03 ppm1      4.243 ppm2      0.846 CV     1
 OR {   21}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H6% )
 ASSI {   24}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
      3.200     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.28399E-02 ppm1      4.250 ppm2      0.981 CV     1
 OR {   24}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   24}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {  101}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
      4.000     2.000     2.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.84422E-03 ppm1      4.245 ppm2      1.263 CV     1
 OR {  101}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 OR {  101}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 OR {  101}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {  101}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {  101}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/hexanoyl/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 -114  46 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 -68  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 -59  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 -66  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 -65  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  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -101  86 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -108  76 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 -64  22 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  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -85  60 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 -85  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 -64  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 -66  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 -93  32 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  84  26 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 -111  58 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 -65  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 -64  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 -70  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 -72  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 -96  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0  69  22 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 -119  60 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 -104  50 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 -99  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 -56  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 -72  32 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 -67  28 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 -66  20 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 -107  50 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 -59  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 -60  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 -66  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 -63  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 -64  22 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 -70  22 2

! Talos derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -85  36 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)
       1.0 127  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)
       1.0 171  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 -35  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 -40  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 -42  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 -42  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 -45  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 -36  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 -39  22 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  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 141  52 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 150  58 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 -28  30 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  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 157  20 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)
       1.0 151  26 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 -33  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 -33  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  -2  56 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  34 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)
       1.0 132  34 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 -43  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 -41  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 -41  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 -45  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 -34  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   0  20 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0  31  34 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)
       1.0 148  24 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)
       1.0 129  30 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)
       1.0 133  30 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)
       1.0 141  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 -32  40 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 -40  28 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 -35  56 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 -33  20 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)
       1.0 151  36 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 -33  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 -45  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 -39  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 -42  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 -36  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 -41  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 -37  28 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 -30  26 2

! Talos derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 -17  40 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1   9.378 -15.400  -1.305
    2    H2   MET   1           HT2      MET   1   8.132 -15.985  -0.271
    3    H3   MET   1           HT3      MET   1   9.683 -16.655  -0.252
    4    HA   MET   1           HA       MET   1   9.281 -13.832   0.307
    5    HB2  MET   1           HB2      MET   1   9.423 -14.312   2.709
    6    HB3  MET   1           HB1      MET   1   8.011 -15.071   2.009
    7    HG2  MET   1           HG2      MET   1   9.187 -17.213   1.992
    8    HG3  MET   1           HG1      MET   1  10.595 -16.438   2.721
    9    HE1  MET   1           HE1      MET   1  10.588 -15.362   5.154
   10    HE2  MET   1           HE2      MET   1   9.172 -15.321   6.205
   11    HE3  MET   1           HE3      MET   1   9.195 -14.374   4.717
   12    H    ALA   2           HN       ALA   2  11.185 -13.465   2.171
   13    HA   ALA   2           HA       ALA   2  13.334 -13.234   2.604
   14    HB1  ALA   2           HB1      ALA   2  13.540 -15.700   2.578
   15    HB2  ALA   2           HB2      ALA   2  15.004 -14.908   1.991
   16    HB3  ALA   2           HB3      ALA   2  13.878 -15.641   0.848
   17    H    THR   3           HN       THR   3  11.916 -12.515  -0.099
   18    HA   THR   3           HA       THR   3  13.979 -10.805  -0.928
   19    HB   THR   3           HB       THR   3  14.812 -12.723  -2.145
   20    HG1  THR   3           HG1      THR   3  14.925 -11.810  -4.148
   21   HG21  THR   3          HG21      THR   3  12.780 -14.107  -2.241
   22   HG22  THR   3          HG22      THR   3  13.489 -13.932  -3.846
   23   HG23  THR   3          HG23      THR   3  12.068 -12.987  -3.402
   24    H    LEU   4           HN       LEU   4  12.812  -9.102  -0.835
   25    HA   LEU   4           HA       LEU   4  11.476  -7.402  -1.472
   26    HB2  LEU   4           HB2      LEU   4  10.553  -9.232  -3.666
   27    HB3  LEU   4           HB1      LEU   4  10.258  -7.502  -3.592
   28    HG   LEU   4           HG       LEU   4  12.898  -8.901  -3.993
   29   HD11  LEU   4          HD11      LEU   4  11.300  -7.096  -5.789
   30   HD12  LEU   4          HD12      LEU   4  11.514  -8.837  -5.967
   31   HD13  LEU   4          HD13      LEU   4  12.895  -7.756  -6.148
   32   HD21  LEU   4          HD21      LEU   4  13.241  -6.949  -2.575
   33   HD22  LEU   4          HD22      LEU   4  12.357  -5.941  -3.722
   34   HD23  LEU   4          HD23      LEU   4  13.896  -6.667  -4.188
   35    H    LEU   5           HN       LEU   5   9.067  -6.907  -2.064
   36    HA   LEU   5           HA       LEU   5   7.484  -8.117   0.075
   37    HB2  LEU   5           HB2      LEU   5   7.755  -5.575  -0.387
   38    HB3  LEU   5           HB1      LEU   5   6.774  -5.888  -1.799
   39    HG   LEU   5           HG       LEU   5   4.974  -6.744  -0.296
   40   HD11  LEU   5          HD11      LEU   5   6.704  -5.512   1.831
   41   HD12  LEU   5          HD12      LEU   5   6.320  -7.226   1.654
   42   HD13  LEU   5          HD13      LEU   5   5.047  -6.072   2.046
   43   HD21  LEU   5          HD21      LEU   5   4.877  -4.524  -1.282
   44   HD22  LEU   5          HD22      LEU   5   5.844  -3.879   0.041
   45   HD23  LEU   5          HD23      LEU   5   4.224  -4.504   0.356
   46    H    THR   6           HN       THR   6   5.831  -9.543  -0.495
   47    HA   THR   6           HA       THR   6   5.434  -9.902  -3.343
   48    HB   THR   6           HB       THR   6   4.307 -12.075  -2.568
   49    HG1  THR   6           HG1      THR   6   4.861 -12.761  -0.502
   50   HG21  THR   6          HG21      THR   6   7.271 -11.678  -2.074
   51   HG22  THR   6          HG22      THR   6   6.525 -12.011  -3.638
   52   HG23  THR   6          HG23      THR   6   6.478 -13.226  -2.361
   53    H    THR   7           HN       THR   7   3.135 -10.809  -3.843
   54    HA   THR   7           HA       THR   7   1.235  -8.857  -3.621
   55    HB   THR   7           HB       THR   7   0.777 -11.837  -3.939
   56    HG1  THR   7           HG1      THR   7   1.764 -11.700  -5.814
   57   HG21  THR   7          HG21      THR   7  -1.060 -11.108  -5.421
   58   HG22  THR   7          HG22      THR   7  -0.660  -9.424  -5.086
   59   HG23  THR   7          HG23      THR   7  -1.268 -10.459  -3.793
   60    H    ASP   8           HN       ASP   8   1.456 -11.951  -1.879
   61    HA   ASP   8           HA       ASP   8  -0.736 -11.627  -0.160
   62    HB2  ASP   8           HB2      ASP   8   1.747 -13.305   0.130
   63    HB3  ASP   8           HB1      ASP   8   0.458 -13.311   1.322
   64    H    ASP   9           HN       ASP   9   2.626 -10.713   0.231
   65    HA   ASP   9           HA       ASP   9   2.465 -10.183   3.006
   66    HB2  ASP   9           HB2      ASP   9   4.624 -10.427   1.550
   67    HB3  ASP   9           HB1      ASP   9   4.354  -8.742   1.159
   68    H    LEU  10           HN       LEU  10   2.297  -8.078   0.168
   69    HA   LEU  10           HA       LEU  10   1.880  -5.673   1.585
   70    HB2  LEU  10           HB2      LEU  10   2.660  -5.708  -0.725
   71    HB3  LEU  10           HB1      LEU  10   1.149  -6.421  -1.248
   72    HG   LEU  10           HG       LEU  10  -0.036  -4.350  -0.641
   73   HD11  LEU  10          HD11      LEU  10   1.412  -3.585   1.156
   74   HD12  LEU  10          HD12      LEU  10   1.207  -2.333  -0.070
   75   HD13  LEU  10          HD13      LEU  10   2.703  -3.267  -0.004
   76   HD21  LEU  10          HD21      LEU  10   0.780  -4.633  -2.917
   77   HD22  LEU  10          HD22      LEU  10   2.334  -3.935  -2.460
   78   HD23  LEU  10          HD23      LEU  10   0.878  -2.941  -2.430
   79    H    ARG  11           HN       ARG  11  -0.316  -8.011   0.138
   80    HA   ARG  11           HA       ARG  11  -2.736  -6.751   0.433
   81    HB2  ARG  11           HB2      ARG  11  -2.622  -8.836  -0.745
   82    HB3  ARG  11           HB1      ARG  11  -2.084  -9.686   0.693
   83    HG2  ARG  11           HG2      ARG  11  -4.205  -9.570   1.694
   84    HG3  ARG  11           HG1      ARG  11  -4.763  -8.343   0.560
   85    HD2  ARG  11           HD2      ARG  11  -5.735 -10.525   0.083
   86    HD3  ARG  11           HD1      ARG  11  -4.733  -9.953  -1.239
   87    HE   ARG  11           HE       ARG  11  -3.160 -11.615   0.365
   88   HH11  ARG  11          HH11      ARG  11  -6.202 -12.001  -1.333
   89   HH12  ARG  11          HH12      ARG  11  -5.821 -13.468  -2.096
   90   HH21  ARG  11          HH21      ARG  11  -2.598 -13.802  -0.628
   91   HH22  ARG  11          HH22      ARG  11  -3.766 -14.523  -1.604
   92    H    ARG  12           HN       ARG  12  -1.002  -8.601   2.849
   93    HA   ARG  12           HA       ARG  12  -2.929  -8.627   4.890
   94    HB2  ARG  12           HB2      ARG  12   0.048  -8.352   5.265
   95    HB3  ARG  12           HB1      ARG  12  -1.102  -8.946   6.445
   96    HG2  ARG  12           HG2      ARG  12  -1.499 -10.911   5.101
   97    HG3  ARG  12           HG1      ARG  12  -0.416 -10.286   3.846
   98    HD2  ARG  12           HD2      ARG  12   0.312 -11.003   6.675
   99    HD3  ARG  12           HD1      ARG  12   0.769 -11.875   5.214
  100    HE   ARG  12           HE       ARG  12   1.842  -9.521   4.685
  101   HH11  ARG  12          HH11      ARG  12   1.856 -11.282   7.754
  102   HH12  ARG  12          HH12      ARG  12   3.373 -10.702   8.258
  103   HH21  ARG  12          HH21      ARG  12   3.969  -8.679   5.384
  104   HH22  ARG  12          HH22      ARG  12   4.542  -9.126   6.921
  105    H    ALA  13           HN       ALA  13  -0.292  -6.340   4.308
  106    HA   ALA  13           HA       ALA  13  -0.824  -4.716   6.546
  107    HB1  ALA  13           HB1      ALA  13   0.726  -3.130   5.542
  108    HB2  ALA  13           HB2      ALA  13   0.644  -4.000   4.013
  109    HB3  ALA  13           HB3      ALA  13   1.352  -4.776   5.431
  110    H    LEU  14           HN       LEU  14  -1.878  -4.601   3.227
  111    HA   LEU  14           HA       LEU  14  -3.142  -2.085   3.341
  112    HB2  LEU  14           HB2      LEU  14  -3.634  -4.456   1.555
  113    HB3  LEU  14           HB1      LEU  14  -4.404  -2.900   1.341
  114    HG   LEU  14           HG       LEU  14  -1.448  -3.470   1.117
  115   HD11  LEU  14          HD11      LEU  14  -2.756  -4.306  -0.748
  116   HD12  LEU  14          HD12      LEU  14  -1.787  -2.912  -1.229
  117   HD13  LEU  14          HD13      LEU  14  -3.517  -2.726  -0.934
  118   HD21  LEU  14          HD21      LEU  14  -1.850  -1.254   2.035
  119   HD22  LEU  14          HD22      LEU  14  -2.966  -0.895   0.716
  120   HD23  LEU  14          HD23      LEU  14  -1.251  -1.150   0.378
  121    H    VAL  15           HN       VAL  15  -4.438  -5.388   3.684
  122    HA   VAL  15           HA       VAL  15  -7.040  -4.443   4.205
  123    HB   VAL  15           HB       VAL  15  -6.604  -6.729   3.243
  124   HG11  VAL  15          HG11      VAL  15  -4.769  -7.437   4.532
  125   HG12  VAL  15          HG12      VAL  15  -6.083  -8.601   4.581
  126   HG13  VAL  15          HG13      VAL  15  -5.778  -7.558   5.983
  127   HG21  VAL  15          HG21      VAL  15  -8.368  -7.924   4.434
  128   HG22  VAL  15          HG22      VAL  15  -8.808  -6.239   4.123
  129   HG23  VAL  15          HG23      VAL  15  -8.287  -6.737   5.736
  130    H    GLU  16           HN       GLU  16  -4.336  -4.663   6.190
  131    HA   GLU  16           HA       GLU  16  -5.655  -4.739   8.697
  132    HB2  GLU  16           HB2      GLU  16  -2.940  -3.683   7.914
  133    HB3  GLU  16           HB1      GLU  16  -3.528  -3.652   9.567
  134    HG2  GLU  16           HG2      GLU  16  -3.718  -6.068   9.565
  135    HG3  GLU  16           HG1      GLU  16  -3.181  -6.118   7.889
  136    H    SER  17           HN       SER  17  -4.860  -2.152   6.465
  137    HA   SER  17           HA       SER  17  -5.725  -0.109   8.293
  138    HB2  SER  17           HB2      SER  17  -5.320   0.160   5.305
  139    HB3  SER  17           HB1      SER  17  -5.277   1.419   6.528
  140    HG   SER  17           HG       SER  17  -3.262   0.742   5.785
  141    H    ALA  18           HN       ALA  18  -6.906  -1.345   5.148
  142    HA   ALA  18           HA       ALA  18  -9.380   0.050   5.529
  143    HB1  ALA  18           HB1      ALA  18  -8.362  -0.053   3.302
  144    HB2  ALA  18           HB2      ALA  18 -10.001  -0.711   3.330
  145    HB3  ALA  18           HB3      ALA  18  -8.614  -1.799   3.285
  146    H    GLY  19           HN       GLY  19 -10.247  -0.821   7.241
  147    HA2  GLY  19           HA2      GLY  19 -11.663  -3.339   6.771
  148    HA3  GLY  19           HA1      GLY  19 -10.896  -3.034   8.339
  149    H    GLU  20           HN       GLU  20 -13.790  -3.238   7.391
  150    HA   GLU  20           HA       GLU  20 -15.783  -2.368   8.002
  151    HB2  GLU  20           HB2      GLU  20 -14.256  -0.064   9.300
  152    HB3  GLU  20           HB1      GLU  20 -15.989  -0.324   9.437
  153    HG2  GLU  20           HG2      GLU  20 -13.858  -2.195  10.461
  154    HG3  GLU  20           HG1      GLU  20 -14.746  -1.027  11.438
  155    H    THR  21           HN       THR  21 -13.934  -1.691   5.830
  156    HA   THR  21           HA       THR  21 -15.759  -0.057   4.322
  157    HB   THR  21           HB       THR  21 -12.746   0.469   4.228
  158    HG1  THR  21           HG1      THR  21 -14.781   1.608   5.775
  159   HG21  THR  21          HG21      THR  21 -13.407   2.454   2.925
  160   HG22  THR  21          HG22      THR  21 -15.105   2.000   3.088
  161   HG23  THR  21          HG23      THR  21 -14.002   0.976   2.166
  162    H    ASP  22           HN       ASP  22 -16.003  -2.424   4.084
  163    HA   ASP  22           HA       ASP  22 -13.957  -3.645   2.380
  164    HB2  ASP  22           HB2      ASP  22 -15.981  -4.912   4.237
  165    HB3  ASP  22           HB1      ASP  22 -14.996  -5.822   3.099
  166    H    GLY  23           HN       GLY  23 -15.057  -5.447   1.003
  167    HA2  GLY  23           HA2      GLY  23 -17.164  -5.956  -0.162
  168    HA3  GLY  23           HA1      GLY  23 -17.431  -4.218  -0.237
  169    H    THR  24           HN       THR  24 -14.336  -4.165  -0.678
  170    HA   THR  24           HA       THR  24 -14.595  -4.291  -3.551
  171    HB   THR  24           HB       THR  24 -12.310  -3.128  -3.468
  172    HG1  THR  24           HG1      THR  24 -11.974  -2.132  -1.293
  173   HG21  THR  24          HG21      THR  24 -14.632  -1.813  -2.038
  174   HG22  THR  24          HG22      THR  24 -14.406  -1.885  -3.786
  175   HG23  THR  24          HG23      THR  24 -13.276  -0.970  -2.787
  176    H    ASP  25           HN       ASP  25 -11.958  -4.864  -4.357
  177    HA   ASP  25           HA       ASP  25 -11.784  -7.678  -3.498
  178    HB2  ASP  25           HB2      ASP  25 -12.177  -7.099  -5.970
  179    HB3  ASP  25           HB1      ASP  25 -10.535  -6.468  -5.989
  180    H    LEU  26           HN       LEU  26 -10.736  -5.565  -1.932
  181    HA   LEU  26           HA       LEU  26  -7.966  -5.192  -2.269
  182    HB2  LEU  26           HB2      LEU  26  -9.302  -3.815  -0.749
  183    HB3  LEU  26           HB1      LEU  26  -9.576  -5.203   0.285
  184    HG   LEU  26           HG       LEU  26  -7.153  -5.316   0.740
  185   HD11  LEU  26          HD11      LEU  26  -7.052  -2.750  -0.832
  186   HD12  LEU  26          HD12      LEU  26  -6.299  -4.285  -1.262
  187   HD13  LEU  26          HD13      LEU  26  -5.739  -3.395   0.154
  188   HD21  LEU  26          HD21      LEU  26  -8.458  -2.676   1.346
  189   HD22  LEU  26          HD22      LEU  26  -7.078  -3.364   2.203
  190   HD23  LEU  26          HD23      LEU  26  -8.648  -4.166   2.266
  191    H    SER  27           HN       SER  27  -9.811  -7.668  -0.559
  192    HA   SER  27           HA       SER  27  -7.353  -9.077  -0.072
  193    HB2  SER  27           HB2      SER  27 -10.224  -9.859   0.485
  194    HB3  SER  27           HB1      SER  27  -8.780 -10.696   1.068
  195    HG   SER  27           HG       SER  27  -8.905  -9.440   2.684
  196    H    GLY  28           HN       GLY  28  -6.695  -9.382  -2.152
  197    HA2  GLY  28           HA2      GLY  28  -7.170 -11.699  -3.493
  198    HA3  GLY  28           HA1      GLY  28  -8.413 -10.625  -4.122
  199    H    ASP  29           HN       ASP  29  -7.887  -9.249  -5.777
  200    HA   ASP  29           HA       ASP  29  -5.032  -8.908  -6.334
  201    HB2  ASP  29           HB2      ASP  29  -5.875 -10.626  -7.874
  202    HB3  ASP  29           HB1      ASP  29  -7.159  -9.542  -8.396
  203    H    PHE  30           HN       PHE  30  -4.799  -6.953  -5.794
  204    HA   PHE  30           HA       PHE  30  -6.741  -4.867  -6.562
  205    HB2  PHE  30           HB2      PHE  30  -5.694  -3.658  -4.592
  206    HB3  PHE  30           HB1      PHE  30  -6.645  -5.094  -4.212
  207    HD1  PHE  30           HD2      PHE  30  -3.220  -3.771  -4.518
  208    HD2  PHE  30           HD1      PHE  30  -5.616  -7.023  -3.204
  209    HE1  PHE  30           HE2      PHE  30  -1.303  -4.680  -3.292
  210    HE2  PHE  30           HE1      PHE  30  -3.700  -7.935  -1.964
  211    HZ   PHE  30           HZ       PHE  30  -1.534  -6.926  -2.144
  212    H    LEU  31           HN       LEU  31  -3.768  -5.961  -7.485
  213    HA   LEU  31           HA       LEU  31  -1.987  -3.881  -7.196
  214    HB2  LEU  31           HB2      LEU  31  -2.056  -6.008  -9.296
  215    HB3  LEU  31           HB1      LEU  31  -0.730  -4.877  -9.111
  216    HG   LEU  31           HG       LEU  31  -1.643  -6.883  -7.047
  217   HD11  LEU  31          HD11      LEU  31   0.524  -7.936  -7.484
  218   HD12  LEU  31          HD12      LEU  31   0.820  -6.757  -8.768
  219   HD13  LEU  31          HD13      LEU  31  -0.503  -7.909  -8.919
  220   HD21  LEU  31          HD21      LEU  31  -0.800  -4.844  -6.002
  221   HD22  LEU  31          HD22      LEU  31   0.660  -4.930  -6.986
  222   HD23  LEU  31          HD23      LEU  31   0.335  -6.177  -5.780
  223    H    ASP  32           HN       ASP  32  -4.215  -4.268  -9.919
  224    HA   ASP  32           HA       ASP  32  -3.128  -1.717 -10.924
  225    HB2  ASP  32           HB2      ASP  32  -3.859  -2.199 -13.127
  226    HB3  ASP  32           HB1      ASP  32  -3.171  -3.696 -12.531
  227    H    LEU  33           HN       LEU  33  -5.428  -2.615  -8.955
  228    HA   LEU  33           HA       LEU  33  -7.581  -0.998 -10.013
  229    HB2  LEU  33           HB2      LEU  33  -7.258  -2.328  -7.314
  230    HB3  LEU  33           HB1      LEU  33  -8.715  -1.552  -7.890
  231    HG   LEU  33           HG       LEU  33  -7.479  -4.072  -9.001
  232   HD11  LEU  33          HD11      LEU  33 -10.035  -3.609  -7.479
  233   HD12  LEU  33          HD12      LEU  33  -8.580  -4.386  -6.856
  234   HD13  LEU  33          HD13      LEU  33  -9.499  -5.146  -8.157
  235   HD21  LEU  33          HD21      LEU  33  -9.991  -2.619  -9.828
  236   HD22  LEU  33          HD22      LEU  33  -9.469  -4.197 -10.421
  237   HD23  LEU  33          HD23      LEU  33  -8.513  -2.761 -10.778
  238    H    ARG  34           HN       ARG  34  -8.276   0.978  -8.894
  239    HA   ARG  34           HA       ARG  34  -5.873   2.424  -8.121
  240    HB2  ARG  34           HB2      ARG  34  -8.676   3.521  -8.402
  241    HB3  ARG  34           HB1      ARG  34  -7.162   4.403  -8.476
  242    HG2  ARG  34           HG2      ARG  34  -8.171   2.446 -10.530
  243    HG3  ARG  34           HG1      ARG  34  -8.189   4.200 -10.671
  244    HD2  ARG  34           HD2      ARG  34  -5.784   4.269 -10.711
  245    HD3  ARG  34           HD1      ARG  34  -5.691   2.543 -10.354
  246    HE   ARG  34           HE       ARG  34  -7.058   2.416 -12.554
  247   HH11  ARG  34          HH11      ARG  34  -4.185   4.475 -11.910
  248   HH12  ARG  34          HH12      ARG  34  -3.755   4.554 -13.553
  249   HH21  ARG  34          HH21      ARG  34  -6.389   2.579 -14.816
  250   HH22  ARG  34          HH22      ARG  34  -4.999   3.452 -15.239
  251    H    PHE  35           HN       PHE  35  -5.644   3.299  -6.066
  252    HA   PHE  35           HA       PHE  35  -6.875   2.066  -3.916
  253    HB2  PHE  35           HB2      PHE  35  -5.517   4.751  -4.061
  254    HB3  PHE  35           HB1      PHE  35  -6.192   4.138  -2.553
  255    HD1  PHE  35           HD1      PHE  35  -5.315   1.961  -1.640
  256    HD2  PHE  35           HD2      PHE  35  -3.443   4.031  -4.842
  257    HE1  PHE  35           HE1      PHE  35  -3.242   0.707  -1.241
  258    HE2  PHE  35           HE2      PHE  35  -1.369   2.777  -4.455
  259    HZ   PHE  35           HZ       PHE  35  -1.315   1.041  -2.616
  260    H    GLU  36           HN       GLU  36  -7.874   4.904  -5.606
  261    HA   GLU  36           HA       GLU  36 -10.004   5.810  -4.108
  262    HB2  GLU  36           HB2      GLU  36  -9.941   5.596  -7.101
  263    HB3  GLU  36           HB1      GLU  36 -10.864   6.738  -6.138
  264    HG2  GLU  36           HG2      GLU  36  -8.789   7.757  -5.370
  265    HG3  GLU  36           HG1      GLU  36  -7.873   6.613  -6.354
  266    H    ASP  37           HN       ASP  37  -9.973   3.097  -6.488
  267    HA   ASP  37           HA       ASP  37 -12.820   2.781  -6.051
  268    HB2  ASP  37           HB2      ASP  37 -12.881   1.188  -7.901
  269    HB3  ASP  37           HB1      ASP  37 -11.994   2.619  -8.401
  270    H    ILE  38           HN       ILE  38 -10.007   1.535  -4.737
  271    HA   ILE  38           HA       ILE  38 -11.477  -0.809  -3.867
  272    HB   ILE  38           HB       ILE  38  -9.388  -1.655  -2.817
  273   HG12  ILE  38          HG12      ILE  38  -8.105   0.745  -4.145
  274   HG13  ILE  38          HG11      ILE  38  -8.263   0.491  -2.411
  275   HG21  ILE  38          HG21      ILE  38 -10.003  -2.361  -5.031
  276   HG22  ILE  38          HG22      ILE  38  -8.249  -2.205  -4.913
  277   HG23  ILE  38          HG23      ILE  38  -9.195  -0.959  -5.730
  278   HD11  ILE  38          HD11      ILE  38  -6.007   0.000  -3.178
  279   HD12  ILE  38          HD12      ILE  38  -6.639  -1.205  -4.301
  280   HD13  ILE  38          HD13      ILE  38  -6.789  -1.457  -2.563
  281    H    GLY  39           HN       GLY  39 -11.644   2.097  -2.922
  282    HA2  GLY  39           HA2      GLY  39 -12.896   2.747  -1.032
  283    HA3  GLY  39           HA1      GLY  39 -12.407   1.268  -0.232
  284    H    TYR  40           HN       TYR  40  -9.845   3.096  -1.641
  285    HA   TYR  40           HA       TYR  40  -9.015   3.812   1.065
  286    HB2  TYR  40           HB2      TYR  40  -7.494   3.418  -1.463
  287    HB3  TYR  40           HB1      TYR  40  -6.817   4.353  -0.142
  288    HD1  TYR  40           HD1      TYR  40  -8.319   1.073  -0.934
  289    HD2  TYR  40           HD2      TYR  40  -5.670   3.269   1.541
  290    HE1  TYR  40           HE1      TYR  40  -7.592  -1.011   0.112
  291    HE2  TYR  40           HE2      TYR  40  -4.924   1.197   2.592
  292    HH   TYR  40           HH       TYR  40  -5.588  -1.846   1.369
  293    H    ASP  41           HN       ASP  41  -9.215   5.704   1.737
  294    HA   ASP  41           HA       ASP  41  -9.245   7.962  -0.093
  295    HB2  ASP  41           HB2      ASP  41  -9.558   7.794   2.916
  296    HB3  ASP  41           HB1      ASP  41  -9.510   9.313   2.026
  297    H    SER  42           HN       SER  42  -7.687   9.646   0.108
  298    HA   SER  42           HA       SER  42  -5.080   8.819   0.066
  299    HB2  SER  42           HB2      SER  42  -4.597  11.287   0.248
  300    HB3  SER  42           HB1      SER  42  -5.748  10.823  -1.017
  301    H    LEU  43           HN       LEU  43  -6.926  10.038   2.765
  302    HA   LEU  43           HA       LEU  43  -4.830  10.457   4.599
  303    HB2  LEU  43           HB2      LEU  43  -7.402  11.023   4.681
  304    HB3  LEU  43           HB1      LEU  43  -7.533   9.462   5.444
  305    HG   LEU  43           HG       LEU  43  -7.540  11.234   7.093
  306   HD11  LEU  43          HD11      LEU  43  -4.973   9.683   7.236
  307   HD12  LEU  43          HD12      LEU  43  -6.554   9.154   7.807
  308   HD13  LEU  43          HD13      LEU  43  -5.753  10.523   8.577
  309   HD21  LEU  43          HD21      LEU  43  -4.841  11.993   6.004
  310   HD22  LEU  43          HD22      LEU  43  -5.590  12.670   7.451
  311   HD23  LEU  43          HD23      LEU  43  -6.331  12.928   5.870
  312    H    ALA  44           HN       ALA  44  -6.902   7.611   4.007
  313    HA   ALA  44           HA       ALA  44  -5.659   5.955   5.945
  314    HB1  ALA  44           HB1      ALA  44  -7.242   5.156   3.503
  315    HB2  ALA  44           HB2      ALA  44  -7.916   5.520   5.092
  316    HB3  ALA  44           HB3      ALA  44  -6.863   4.121   4.879
  317    H    LEU  45           HN       LEU  45  -4.956   6.750   2.673
  318    HA   LEU  45           HA       LEU  45  -3.164   4.642   2.131
  319    HB2  LEU  45           HB2      LEU  45  -4.134   6.024   0.353
  320    HB3  LEU  45           HB1      LEU  45  -3.262   7.419   0.949
  321    HG   LEU  45           HG       LEU  45  -1.130   6.375   0.327
  322   HD11  LEU  45          HD11      LEU  45  -1.752   4.036   0.632
  323   HD12  LEU  45          HD12      LEU  45  -1.101   4.312  -0.986
  324   HD13  LEU  45          HD13      LEU  45  -2.840   4.136  -0.754
  325   HD21  LEU  45          HD21      LEU  45  -3.165   6.376  -1.892
  326   HD22  LEU  45          HD22      LEU  45  -1.417   6.469  -2.100
  327   HD23  LEU  45          HD23      LEU  45  -2.284   7.782  -1.297
  328    H    MET  46           HN       MET  46  -2.670   7.913   3.474
  329    HA   MET  46           HA       MET  46   0.146   7.612   3.690
  330    HB2  MET  46           HB2      MET  46   0.239   9.633   4.929
  331    HB3  MET  46           HB1      MET  46  -1.154   9.855   3.891
  332    HG2  MET  46           HG2      MET  46  -2.649   9.377   5.732
  333    HG3  MET  46           HG1      MET  46  -1.284   8.995   6.773
  334    HE1  MET  46           HE1      MET  46  -3.485  10.902   7.780
  335    HE2  MET  46           HE2      MET  46  -2.545  12.237   8.447
  336    HE3  MET  46           HE3      MET  46  -2.007  10.573   8.684
  337    H    GLU  47           HN       GLU  47  -2.524   6.756   5.772
  338    HA   GLU  47           HA       GLU  47  -1.114   6.144   8.132
  339    HB2  GLU  47           HB2      GLU  47  -3.604   4.861   7.013
  340    HB3  GLU  47           HB1      GLU  47  -3.059   4.648   8.661
  341    HG2  GLU  47           HG2      GLU  47  -3.262   7.190   8.861
  342    HG3  GLU  47           HG1      GLU  47  -4.128   7.115   7.327
  343    H    THR  48           HN       THR  48  -2.066   4.158   5.425
  344    HA   THR  48           HA       THR  48  -0.903   1.751   6.236
  345    HB   THR  48           HB       THR  48  -1.345   2.773   3.415
  346    HG1  THR  48           HG1      THR  48  -3.306   2.855   4.471
  347   HG21  THR  48          HG21      THR  48  -1.543   0.399   2.853
  348   HG22  THR  48          HG22      THR  48  -1.206  -0.043   4.529
  349   HG23  THR  48          HG23      THR  48   0.041   0.734   3.553
  350    H    ALA  49           HN       ALA  49   0.315   4.327   4.073
  351    HA   ALA  49           HA       ALA  49   2.764   3.225   3.404
  352    HB1  ALA  49           HB1      ALA  49   1.773   5.171   2.290
  353    HB2  ALA  49           HB2      ALA  49   3.436   5.481   2.792
  354    HB3  ALA  49           HB3      ALA  49   2.095   6.149   3.723
  355    H    ALA  50           HN       ALA  50   1.971   5.381   6.117
  356    HA   ALA  50           HA       ALA  50   4.540   5.636   7.174
  357    HB1  ALA  50           HB1      ALA  50   3.439   6.335   9.230
  358    HB2  ALA  50           HB2      ALA  50   1.909   5.680   8.646
  359    HB3  ALA  50           HB3      ALA  50   2.651   7.055   7.825
  360    H    ARG  51           HN       ARG  51   2.005   3.256   7.845
  361    HA   ARG  51           HA       ARG  51   3.388   1.892   9.890
  362    HB2  ARG  51           HB2      ARG  51   0.964   1.628   9.498
  363    HB3  ARG  51           HB1      ARG  51   1.306   0.802   7.984
  364    HG2  ARG  51           HG2      ARG  51   2.451  -0.985   9.241
  365    HG3  ARG  51           HG1      ARG  51   2.037  -0.164  10.747
  366    HD2  ARG  51           HD2      ARG  51   0.104  -1.268   8.712
  367    HD3  ARG  51           HD1      ARG  51   0.469  -1.961  10.293
  368    HE   ARG  51           HE       ARG  51  -0.422   0.152  11.222
  369   HH11  ARG  51          HH11      ARG  51  -1.525  -1.143   8.111
  370   HH12  ARG  51          HH12      ARG  51  -2.982  -0.282   8.065
  371   HH21  ARG  51          HH21      ARG  51  -2.514   1.290  11.238
  372   HH22  ARG  51          HH22      ARG  51  -3.602   1.126   9.952
  373    H    LEU  52           HN       LEU  52   3.356   1.569   6.412
  374    HA   LEU  52           HA       LEU  52   4.827  -0.823   6.193
  375    HB2  LEU  52           HB2      LEU  52   4.679   1.520   4.302
  376    HB3  LEU  52           HB1      LEU  52   5.334  -0.056   3.899
  377    HG   LEU  52           HG       LEU  52   2.473   0.428   4.712
  378   HD11  LEU  52          HD11      LEU  52   2.964   1.540   2.620
  379   HD12  LEU  52          HD12      LEU  52   1.946   0.123   2.359
  380   HD13  LEU  52          HD13      LEU  52   3.666   0.056   1.978
  381   HD21  LEU  52          HD21      LEU  52   3.841  -1.967   3.500
  382   HD22  LEU  52          HD22      LEU  52   2.114  -1.817   3.826
  383   HD23  LEU  52          HD23      LEU  52   3.267  -1.830   5.161
  384    H    GLU  53           HN       GLU  53   5.825   2.575   6.220
  385    HA   GLU  53           HA       GLU  53   8.581   2.184   5.938
  386    HB2  GLU  53           HB2      GLU  53   7.171   4.366   7.489
  387    HB3  GLU  53           HB1      GLU  53   8.857   4.395   6.997
  388    HG2  GLU  53           HG2      GLU  53   8.150   4.340   4.654
  389    HG3  GLU  53           HG1      GLU  53   6.468   4.383   5.172
  390    H    SER  54           HN       SER  54   6.581   2.408   8.824
  391    HA   SER  54           HA       SER  54   8.595   2.089  10.717
  392    HB2  SER  54           HB2      SER  54   5.700   1.262  10.894
  393    HB3  SER  54           HB1      SER  54   6.790   1.550  12.251
  394    HG   SER  54           HG       SER  54   6.914   3.712  10.764
  395    H    ARG  55           HN       ARG  55   6.358  -0.350   9.403
  396    HA   ARG  55           HA       ARG  55   7.366  -2.481  10.928
  397    HB2  ARG  55           HB2      ARG  55   5.102  -2.446  10.052
  398    HB3  ARG  55           HB1      ARG  55   5.720  -2.531   8.410
  399    HG2  ARG  55           HG2      ARG  55   6.688  -4.732   8.913
  400    HG3  ARG  55           HG1      ARG  55   5.996  -4.647  10.531
  401    HD2  ARG  55           HD2      ARG  55   4.435  -4.562   7.956
  402    HD3  ARG  55           HD1      ARG  55   4.643  -5.984   8.973
  403    HE   ARG  55           HE       ARG  55   3.609  -3.919  10.534
  404   HH11  ARG  55          HH11      ARG  55   2.547  -5.913   7.746
  405   HH12  ARG  55          HH12      ARG  55   0.912  -5.939   8.295
  406   HH21  ARG  55          HH21      ARG  55   1.337  -4.067  11.210
  407   HH22  ARG  55          HH22      ARG  55   0.244  -4.940  10.248
  408    H    TYR  56           HN       TYR  56   7.947  -1.622   7.498
  409    HA   TYR  56           HA       TYR  56   9.642  -3.976   7.361
  410    HB2  TYR  56           HB2      TYR  56   8.701  -2.179   5.120
  411    HB3  TYR  56           HB1      TYR  56   9.640  -3.659   4.918
  412    HD1  TYR  56           HD2      TYR  56   8.455  -5.657   6.515
  413    HD2  TYR  56           HD1      TYR  56   6.506  -2.456   4.505
  414    HE1  TYR  56           HE2      TYR  56   6.383  -6.980   6.418
  415    HE2  TYR  56           HE1      TYR  56   4.437  -3.764   4.412
  416    HH   TYR  56           HH       TYR  56   3.682  -6.105   6.183
  417    H    GLY  57           HN       GLY  57  10.107  -0.904   8.224
  418    HA2  GLY  57           HA2      GLY  57  12.031   0.322   8.560
  419    HA3  GLY  57           HA1      GLY  57  12.935  -1.110   8.086
  420    H    VAL  58           HN       VAL  58  10.621   0.813   6.299
  421    HA   VAL  58           HA       VAL  58  12.702   1.275   4.304
  422    HB   VAL  58           HB       VAL  58  10.991   1.434   2.560
  423   HG11  VAL  58          HG11      VAL  58  10.728  -1.095   4.160
  424   HG12  VAL  58          HG12      VAL  58  11.958  -0.744   2.941
  425   HG13  VAL  58          HG13      VAL  58  10.262  -0.898   2.471
  426   HG21  VAL  58          HG21      VAL  58   8.997   0.718   4.712
  427   HG22  VAL  58          HG22      VAL  58   8.648   0.833   2.986
  428   HG23  VAL  58          HG23      VAL  58   9.123   2.272   3.889
  429    H    SER  59           HN       SER  59  12.145   3.313   2.923
  430    HA   SER  59           HA       SER  59  10.923   5.363   4.592
  431    HB2  SER  59           HB2      SER  59  13.559   5.623   3.115
  432    HB3  SER  59           HB1      SER  59  12.800   6.842   4.143
  433    HG   SER  59           HG       SER  59  12.945   4.588   5.478
  434    H    ILE  60           HN       ILE  60   9.290   6.156   3.377
  435    HA   ILE  60           HA       ILE  60   9.405   5.716   0.519
  436    HB   ILE  60           HB       ILE  60   7.106   6.686   2.257
  437   HG12  ILE  60          HG12      ILE  60   7.639   3.977   1.009
  438   HG13  ILE  60          HG11      ILE  60   7.766   4.358   2.722
  439   HG21  ILE  60          HG21      ILE  60   6.907   7.494  -0.048
  440   HG22  ILE  60          HG22      ILE  60   5.691   6.260   0.284
  441   HG23  ILE  60          HG23      ILE  60   7.125   5.853  -0.652
  442   HD11  ILE  60          HD11      ILE  60   5.249   4.405   1.070
  443   HD12  ILE  60          HD12      ILE  60   5.358   4.801   2.783
  444   HD13  ILE  60          HD13      ILE  60   5.716   3.163   2.230
  445    HA   PRO  61           HA       PRO  61  10.661   9.951  -0.078
  446    HB2  PRO  61           HB2      PRO  61  10.119   9.264  -2.907
  447    HB3  PRO  61           HB1      PRO  61  11.617   9.841  -2.167
  448    HG2  PRO  61           HG2      PRO  61  11.375   7.317  -2.994
  449    HG3  PRO  61           HG1      PRO  61  12.261   7.715  -1.508
  450    HD2  PRO  61           HD2      PRO  61   9.480   6.660  -1.826
  451    HD3  PRO  61           HD1      PRO  61  10.748   6.179  -0.676
  452    H    ASP  62           HN       ASP  62   9.537  11.792  -0.438
  453    HA   ASP  62           HA       ASP  62   6.758  11.801  -0.092
  454    HB2  ASP  62           HB2      ASP  62   8.211  13.642   0.601
  455    HB3  ASP  62           HB1      ASP  62   8.549  14.023  -1.081
  456    H    ASP  63           HN       ASP  63   8.694  12.112  -2.976
  457    HA   ASP  63           HA       ASP  63   6.563  12.919  -4.702
  458    HB2  ASP  63           HB2      ASP  63   9.279  11.738  -5.299
  459    HB3  ASP  63           HB1      ASP  63   8.150  12.246  -6.546
  460    H    VAL  64           HN       VAL  64   7.796   9.898  -3.599
  461    HA   VAL  64           HA       VAL  64   6.439   8.428  -5.634
  462    HB   VAL  64           HB       VAL  64   7.752   7.354  -3.123
  463   HG11  VAL  64          HG11      VAL  64   6.870   5.952  -5.651
  464   HG12  VAL  64          HG12      VAL  64   6.098   5.818  -4.072
  465   HG13  VAL  64          HG13      VAL  64   7.736   5.204  -4.306
  466   HG21  VAL  64          HG21      VAL  64   8.789   7.569  -5.945
  467   HG22  VAL  64          HG22      VAL  64   9.612   6.775  -4.603
  468   HG23  VAL  64          HG23      VAL  64   9.338   8.516  -4.561
  469    H    ALA  65           HN       ALA  65   5.931   9.295  -2.287
  470    HA   ALA  65           HA       ALA  65   3.775   7.632  -1.698
  471    HB1  ALA  65           HB1      ALA  65   4.318  10.400  -0.627
  472    HB2  ALA  65           HB2      ALA  65   5.022   8.904  -0.015
  473    HB3  ALA  65           HB3      ALA  65   3.285   9.181   0.119
  474    H    GLY  66           HN       GLY  66   3.880  10.550  -3.582
  475    HA2  GLY  66           HA2      GLY  66   0.953  10.677  -3.618
  476    HA3  GLY  66           HA1      GLY  66   2.042  11.929  -4.197
  477    H    ARG  67           HN       ARG  67   3.203   9.037  -5.350
  478    HA   ARG  67           HA       ARG  67   1.802   9.486  -7.914
  479    HB2  ARG  67           HB2      ARG  67   3.644   8.409  -9.062
  480    HB3  ARG  67           HB1      ARG  67   4.290   9.655  -8.004
  481    HG2  ARG  67           HG2      ARG  67   4.908   7.951  -6.368
  482    HG3  ARG  67           HG1      ARG  67   4.217   6.715  -7.390
  483    HD2  ARG  67           HD2      ARG  67   6.434   8.510  -8.349
  484    HD3  ARG  67           HD1      ARG  67   6.735   6.986  -7.519
  485    HE   ARG  67           HE       ARG  67   5.353   5.968  -9.377
  486   HH11  ARG  67          HH11      ARG  67   7.150   8.983  -9.943
  487   HH12  ARG  67          HH12      ARG  67   7.494   8.633 -11.550
  488   HH21  ARG  67          HH21      ARG  67   5.799   5.479 -11.526
  489   HH22  ARG  67          HH22      ARG  67   6.708   6.551 -12.513
  490    H    VAL  68           HN       VAL  68   1.773   7.408  -5.282
  491    HA   VAL  68           HA       VAL  68   1.296   5.127  -6.860
  492    HB   VAL  68           HB       VAL  68   2.707   4.638  -5.059
  493   HG11  VAL  68          HG11      VAL  68   0.832   6.023  -3.152
  494   HG12  VAL  68          HG12      VAL  68   2.403   6.619  -3.727
  495   HG13  VAL  68          HG13      VAL  68   2.323   5.147  -2.764
  496   HG21  VAL  68          HG21      VAL  68   1.445   3.198  -3.592
  497   HG22  VAL  68          HG22      VAL  68   1.016   3.013  -5.321
  498   HG23  VAL  68          HG23      VAL  68  -0.029   3.948  -4.222
  499    H    ASP  69           HN       ASP  69  -0.510   5.797  -7.898
  500    HA   ASP  69           HA       ASP  69  -3.003   5.995  -6.408
  501    HB2  ASP  69           HB2      ASP  69  -4.042   6.334  -8.628
  502    HB3  ASP  69           HB1      ASP  69  -2.703   7.447  -8.376
  503    H    THR  70           HN       THR  70  -1.066   3.708  -8.049
  504    HA   THR  70           HA       THR  70  -3.102   1.663  -7.637
  505    HB   THR  70           HB       THR  70  -1.670   0.364  -9.358
  506    HG1  THR  70           HG1      THR  70  -1.042   2.698 -10.648
  507   HG21  THR  70          HG21      THR  70  -3.937   1.133  -9.847
  508   HG22  THR  70          HG22      THR  70  -2.907   1.322 -11.263
  509   HG23  THR  70          HG23      THR  70  -3.318   2.727 -10.273
  510    HA   PRO  71           HA       PRO  71  -0.422  -0.009  -4.501
  511    HB2  PRO  71           HB2      PRO  71  -1.337  -2.622  -5.620
  512    HB3  PRO  71           HB1      PRO  71  -1.322  -2.064  -3.941
  513    HG2  PRO  71           HG2      PRO  71  -3.599  -2.106  -5.259
  514    HG3  PRO  71           HG1      PRO  71  -3.197  -0.704  -4.245
  515    HD2  PRO  71           HD2      PRO  71  -3.051  -0.993  -7.221
  516    HD3  PRO  71           HD1      PRO  71  -3.626   0.380  -6.249
  517    H    ARG  72           HN       ARG  72  -0.242  -1.106  -7.800
  518    HA   ARG  72           HA       ARG  72   2.097  -2.577  -7.871
  519    HB2  ARG  72           HB2      ARG  72   0.647  -2.175  -9.821
  520    HB3  ARG  72           HB1      ARG  72   1.182  -0.502  -9.870
  521    HG2  ARG  72           HG2      ARG  72   3.482  -1.284 -10.309
  522    HG3  ARG  72           HG1      ARG  72   2.879  -2.942 -10.345
  523    HD2  ARG  72           HD2      ARG  72   2.035  -0.694 -12.168
  524    HD3  ARG  72           HD1      ARG  72   3.119  -2.012 -12.589
  525    HE   ARG  72           HE       ARG  72   1.203  -3.540 -12.195
  526   HH11  ARG  72          HH11      ARG  72   0.394  -0.118 -12.878
  527   HH12  ARG  72          HH12      ARG  72  -1.032  -0.540 -13.730
  528   HH21  ARG  72          HH21      ARG  72  -0.733  -4.021 -13.412
  529   HH22  ARG  72          HH22      ARG  72  -1.635  -2.731 -14.073
  530    H    GLU  73           HN       GLU  73   1.730   0.969  -7.889
  531    HA   GLU  73           HA       GLU  73   4.477   1.643  -8.177
  532    HB2  GLU  73           HB2      GLU  73   2.225   3.195  -6.889
  533    HB3  GLU  73           HB1      GLU  73   3.796   3.860  -7.294
  534    HG2  GLU  73           HG2      GLU  73   1.823   2.752  -9.274
  535    HG3  GLU  73           HG1      GLU  73   2.008   4.457  -8.876
  536    H    LEU  74           HN       LEU  74   2.408   1.019  -5.462
  537    HA   LEU  74           HA       LEU  74   4.133   1.901  -3.387
  538    HB2  LEU  74           HB2      LEU  74   1.554   1.418  -3.361
  539    HB3  LEU  74           HB1      LEU  74   2.025  -0.235  -3.132
  540    HG   LEU  74           HG       LEU  74   1.348   0.930  -1.045
  541   HD11  LEU  74          HD11      LEU  74   2.741  -1.038  -0.919
  542   HD12  LEU  74          HD12      LEU  74   3.179   0.120   0.338
  543   HD13  LEU  74          HD13      LEU  74   4.186  -0.045  -1.100
  544   HD21  LEU  74          HD21      LEU  74   2.907   2.528  -0.022
  545   HD22  LEU  74          HD22      LEU  74   2.246   3.133  -1.542
  546   HD23  LEU  74          HD23      LEU  74   3.885   2.500  -1.489
  547    H    LEU  75           HN       LEU  75   3.317  -1.245  -4.742
  548    HA   LEU  75           HA       LEU  75   4.947  -2.936  -3.283
  549    HB2  LEU  75           HB2      LEU  75   3.190  -3.621  -4.877
  550    HB3  LEU  75           HB1      LEU  75   4.190  -3.079  -6.204
  551    HG   LEU  75           HG       LEU  75   5.856  -4.827  -5.590
  552   HD11  LEU  75          HD11      LEU  75   5.152  -6.628  -4.094
  553   HD12  LEU  75          HD12      LEU  75   3.700  -5.716  -3.687
  554   HD13  LEU  75          HD13      LEU  75   5.289  -5.087  -3.253
  555   HD21  LEU  75          HD21      LEU  75   4.228  -5.199  -7.362
  556   HD22  LEU  75          HD22      LEU  75   3.058  -5.788  -6.181
  557   HD23  LEU  75          HD23      LEU  75   4.541  -6.694  -6.479
  558    H    ASP  76           HN       ASP  76   5.583  -1.277  -6.344
  559    HA   ASP  76           HA       ASP  76   8.218  -2.080  -6.732
  560    HB2  ASP  76           HB2      ASP  76   6.989  -1.009  -8.509
  561    HB3  ASP  76           HB1      ASP  76   6.871   0.483  -7.579
  562    H    LEU  77           HN       LEU  77   6.967   0.754  -4.922
  563    HA   LEU  77           HA       LEU  77   9.512   1.825  -4.424
  564    HB2  LEU  77           HB2      LEU  77   7.373   3.082  -4.190
  565    HB3  LEU  77           HB1      LEU  77   7.001   2.156  -2.760
  566    HG   LEU  77           HG       LEU  77   7.843   4.508  -2.397
  567   HD11  LEU  77          HD11      LEU  77   9.271   3.974  -0.487
  568   HD12  LEU  77          HD12      LEU  77   9.435   2.317  -1.077
  569   HD13  LEU  77          HD13      LEU  77   7.861   2.915  -0.556
  570   HD21  LEU  77          HD21      LEU  77  10.459   3.287  -3.250
  571   HD22  LEU  77          HD22      LEU  77  10.265   4.876  -2.508
  572   HD23  LEU  77          HD23      LEU  77   9.565   4.552  -4.093
  573    H    ILE  78           HN       ILE  78   7.511  -0.420  -2.577
  574    HA   ILE  78           HA       ILE  78   9.258  -0.490  -0.357
  575    HB   ILE  78           HB       ILE  78   7.304  -2.637  -1.254
  576   HG12  ILE  78          HG12      ILE  78   6.173  -0.502  -0.868
  577   HG13  ILE  78          HG11      ILE  78   5.762  -1.652   0.396
  578   HG21  ILE  78          HG21      ILE  78   8.605  -2.198   1.439
  579   HG22  ILE  78          HG22      ILE  78   8.953  -3.513   0.319
  580   HG23  ILE  78          HG23      ILE  78   7.367  -3.404   1.081
  581   HD11  ILE  78          HD11      ILE  78   7.337  -0.536   1.907
  582   HD12  ILE  78          HD12      ILE  78   6.108   0.575   1.300
  583   HD13  ILE  78          HD13      ILE  78   7.739   0.613   0.630
  584    H    ASN  79           HN       ASN  79   8.969  -2.526  -3.242
  585    HA   ASN  79           HA       ASN  79  11.024  -4.314  -2.531
  586    HB2  ASN  79           HB2      ASN  79  10.102  -3.523  -5.307
  587    HB3  ASN  79           HB1      ASN  79  11.208  -4.847  -4.975
  588   HD21  ASN  79          HD21      ASN  79   8.783  -5.110  -6.296
  589   HD22  ASN  79          HD22      ASN  79   7.722  -6.076  -5.325
  590    H    GLY  80           HN       GLY  80  11.108  -1.226  -4.186
  591    HA2  GLY  80           HA2      GLY  80  13.860  -1.313  -4.878
  592    HA3  GLY  80           HA1      GLY  80  12.870   0.140  -4.758
  593    H    ALA  81           HN       ALA  81  12.077  -0.118  -2.113
  594    HA   ALA  81           HA       ALA  81  14.294   1.039  -0.802
  595    HB1  ALA  81           HB1      ALA  81  11.982   1.706  -0.351
  596    HB2  ALA  81           HB2      ALA  81  12.816   1.208   1.120
  597    HB3  ALA  81           HB3      ALA  81  11.664   0.118   0.348
  598    H    LEU  82           HN       LEU  82  12.721  -2.126  -0.573
  599    HA   LEU  82           HA       LEU  82  14.249  -3.121   1.578
  600    HB2  LEU  82           HB2      LEU  82  12.982  -4.634  -0.710
  601    HB3  LEU  82           HB1      LEU  82  13.658  -5.386   0.719
  602    HG   LEU  82           HG       LEU  82  11.268  -3.550   0.639
  603   HD11  LEU  82          HD11      LEU  82  11.489  -6.509   1.140
  604   HD12  LEU  82          HD12      LEU  82  10.821  -5.739  -0.300
  605   HD13  LEU  82          HD13      LEU  82  10.013  -5.548   1.258
  606   HD21  LEU  82          HD21      LEU  82  12.514  -3.285   2.710
  607   HD22  LEU  82          HD22      LEU  82  12.510  -5.037   2.947
  608   HD23  LEU  82          HD23      LEU  82  10.992  -4.134   2.996
  609    H    ALA  83           HN       ALA  83  14.744  -3.267  -1.905
  610    HA   ALA  83           HA       ALA  83  17.115  -4.790  -1.854
  611    HB1  ALA  83           HB1      ALA  83  17.445  -4.018  -4.145
  612    HB2  ALA  83           HB2      ALA  83  16.216  -2.775  -3.911
  613    HB3  ALA  83           HB3      ALA  83  15.764  -4.479  -3.877
  614    H    GLU  84           HN       GLU  84  16.489  -1.374  -1.559
  615    HA   GLU  84           HA       GLU  84  19.215  -0.559  -1.751
  616    HB2  GLU  84           HB2      GLU  84  17.178   0.840  -2.284
  617    HB3  GLU  84           HB1      GLU  84  16.895   0.958  -0.554
  618    HG2  GLU  84           HG2      GLU  84  18.005   2.934  -1.436
  619    HG3  GLU  84           HG1      GLU  84  19.026   2.084  -0.271
  620    H    ALA  85           HN       ALA  85  16.994  -1.356   0.842
  621    HA   ALA  85           HA       ALA  85  18.678  -0.452   2.944
  622    HB1  ALA  85           HB1      ALA  85  16.247  -0.575   3.192
  623    HB2  ALA  85           HB2      ALA  85  17.080  -1.526   4.422
  624    HB3  ALA  85           HB3      ALA  85  16.324  -2.332   3.045
  625    H    ALA  86           HN       ALA  86  20.108  -1.510   4.086
  626    HA   ALA  86           HA       ALA  86  20.447  -4.378   3.745
  627    HB1  ALA  86           HB1      ALA  86  22.075  -3.318   2.237
  628    HB2  ALA  86           HB2      ALA  86  22.892  -4.068   3.610
  629    HB3  ALA  86           HB3      ALA  86  22.664  -2.323   3.571
  630    H28  SXH  87          H28B      SXH  87  -4.660  12.443   2.454
  631   H28A  SXH  87          H28A      SXH  87  -5.427  13.983   2.850
  632    H30  SXH  87          H30C      SXH  87  -2.829  12.584   3.889
  633   H30A  SXH  87          H30A      SXH  87  -3.618  13.994   4.597
  634   H30B  SXH  87          H30B      SXH  87  -1.924  14.083   4.109
  635    H31  SXH  87          H31A      SXH  87  -2.218  12.540   1.521
  636   H31A  SXH  87          H31C      SXH  87  -2.632  13.888   0.462
  637   H31B  SXH  87          H31B      SXH  87  -1.333  14.060   1.642
  638    H32  SXH  87          H32A      SXH  87  -3.969  16.090   3.258
  639   HO33  SXH  87          H33A      SXH  87  -3.259  16.655   0.792
  640   HN36  SXH  87          H36A      SXH  87  -1.907  16.083   4.405
  641    H37  SXH  87          H37A      SXH  87   0.606  16.671   3.133
  642   H37A  SXH  87          H37B      SXH  87  -0.237  18.136   3.567
  643    H38  SXH  87          H38A      SXH  87   1.254  17.677   5.294
  644   H38A  SXH  87          H38B      SXH  87  -0.387  17.391   5.922
  645   HN41  SXH  87          H41A      SXH  87   0.713  14.978   3.922
  646    H42  SXH  87          H42A      SXH  87   2.529  13.432   5.122
  647   H42A  SXH  87          H42B      SXH  87   1.077  13.067   6.059
  648    H43  SXH  87          H43A      SXH  87  -0.003  12.248   4.072
  649   H43A  SXH  87          H43B      SXH  87   1.598  11.473   4.134
  650    H2   SXH  87           H2A      SXH  87   1.935  10.768  -0.310
  651    H2A  SXH  87           H2B      SXH  87   2.122  12.527  -0.211
  652    H3   SXH  87           H3A      SXH  87   0.283  11.947  -1.673
  653    H3A  SXH  87           H3B      SXH  87  -0.368  12.680  -0.203
  654    H4   SXH  87           H4B      SXH  87  -0.184   9.704  -0.708
  655    H4A  SXH  87           H4A      SXH  87  -0.920  10.485   0.689
  656    H5   SXH  87           H5A      SXH  87  -2.560  11.563  -0.870
  657    H5A  SXH  87           H5B      SXH  87  -2.661   9.794  -0.842
  658    H6   SXH  87           H6C      SXH  87  -2.761  10.660  -3.131
  659    H6A  SXH  87           H6A      SXH  87  -1.304   9.700  -2.875
  660    H6B  SXH  87           H6B      SXH  87  -1.204  11.460  -2.899
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  16.988 -15.862  -0.320
    2    H2   MET   1           HT2      MET   1  17.856 -14.632  -1.046
    3    H3   MET   1           HT3      MET   1  17.108 -15.812  -2.011
    4    HA   MET   1           HA       MET   1  15.874 -13.746  -2.016
    5    HB2  MET   1           HB2      MET   1  14.549 -15.918  -0.367
    6    HB3  MET   1           HB1      MET   1  13.691 -14.560  -1.078
    7    HG2  MET   1           HG2      MET   1  14.333 -15.317  -3.304
    8    HG3  MET   1           HG1      MET   1  15.208 -16.669  -2.596
    9    HE1  MET   1           HE1      MET   1  12.126 -18.392  -4.288
   10    HE2  MET   1           HE2      MET   1  13.886 -18.337  -4.174
   11    HE3  MET   1           HE3      MET   1  13.004 -16.982  -4.877
   12    H    ALA   2           HN       ALA   2  15.284 -11.952  -1.006
   13    HA   ALA   2           HA       ALA   2  16.186 -11.689   1.782
   14    HB1  ALA   2           HB1      ALA   2  16.439  -9.303   1.283
   15    HB2  ALA   2           HB2      ALA   2  15.848  -9.579  -0.356
   16    HB3  ALA   2           HB3      ALA   2  17.377 -10.288   0.162
   17    H    THR   3           HN       THR   3  14.934  -9.750   2.867
   18    HA   THR   3           HA       THR   3  12.195 -10.537   2.940
   19    HB   THR   3           HB       THR   3  13.565  -8.200   4.216
   20    HG1  THR   3           HG1      THR   3  13.845  -9.549   5.962
   21   HG21  THR   3          HG21      THR   3  10.989  -9.624   4.920
   22   HG22  THR   3          HG22      THR   3  11.125  -8.001   4.238
   23   HG23  THR   3          HG23      THR   3  11.718  -8.324   5.864
   24    H    LEU   4           HN       LEU   4  10.998  -9.993   1.227
   25    HA   LEU   4           HA       LEU   4  11.033  -7.208   0.317
   26    HB2  LEU   4           HB2      LEU   4  10.244  -9.705  -1.191
   27    HB3  LEU   4           HB1      LEU   4  10.117  -8.069  -1.803
   28    HG   LEU   4           HG       LEU   4  12.695  -9.489  -1.128
   29   HD11  LEU   4          HD11      LEU   4  11.600 -10.435  -3.073
   30   HD12  LEU   4          HD12      LEU   4  13.037  -9.526  -3.543
   31   HD13  LEU   4          HD13      LEU   4  11.434  -8.827  -3.779
   32   HD21  LEU   4          HD21      LEU   4  12.858  -7.065  -0.816
   33   HD22  LEU   4          HD22      LEU   4  12.201  -6.805  -2.431
   34   HD23  LEU   4          HD23      LEU   4  13.772  -7.581  -2.234
   35    H    LEU   5           HN       LEU   5   8.935  -6.381  -0.244
   36    HA   LEU   5           HA       LEU   5   6.798  -7.479   1.400
   37    HB2  LEU   5           HB2      LEU   5   7.415  -4.984   1.253
   38    HB3  LEU   5           HB1      LEU   5   6.858  -5.020  -0.397
   39    HG   LEU   5           HG       LEU   5   5.055  -5.568   1.980
   40   HD11  LEU   5          HD11      LEU   5   4.256  -3.287   1.694
   41   HD12  LEU   5          HD12      LEU   5   5.479  -3.014   0.450
   42   HD13  LEU   5          HD13      LEU   5   5.968  -3.317   2.115
   43   HD21  LEU   5          HD21      LEU   5   4.237  -6.410  -0.156
   44   HD22  LEU   5          HD22      LEU   5   4.448  -4.806  -0.862
   45   HD23  LEU   5          HD23      LEU   5   3.267  -5.057   0.426
   46    H    THR   6           HN       THR   6   5.422  -8.893   0.422
   47    HA   THR   6           HA       THR   6   5.637  -9.106  -2.479
   48    HB   THR   6           HB       THR   6   4.677 -11.347  -2.192
   49    HG1  THR   6           HG1      THR   6   4.842 -10.811   0.618
   50   HG21  THR   6          HG21      THR   6   6.581 -12.376  -1.007
   51   HG22  THR   6          HG22      THR   6   7.009 -10.802  -0.337
   52   HG23  THR   6          HG23      THR   6   7.122 -11.081  -2.074
   53    H    THR   7           HN       THR   7   3.488 -10.094  -3.428
   54    HA   THR   7           HA       THR   7   1.408  -8.268  -3.285
   55    HB   THR   7           HB       THR   7   1.041 -11.193  -3.964
   56    HG1  THR   7           HG1      THR   7   1.773  -9.842  -6.156
   57   HG21  THR   7          HG21      THR   7  -0.080  -8.641  -5.165
   58   HG22  THR   7          HG22      THR   7  -0.951  -9.731  -4.085
   59   HG23  THR   7          HG23      THR   7  -0.462 -10.282  -5.689
   60    H    ASP   8           HN       ASP   8   2.187 -11.053  -1.325
   61    HA   ASP   8           HA       ASP   8  -0.319 -11.332  -0.011
   62    HB2  ASP   8           HB2      ASP   8   1.115 -13.235  -0.078
   63    HB3  ASP   8           HB1      ASP   8   2.449 -12.333   0.638
   64    H    ASP   9           HN       ASP   9   2.772  -9.839   0.842
   65    HA   ASP   9           HA       ASP   9   2.038  -8.952   3.434
   66    HB2  ASP   9           HB2      ASP   9   4.032  -7.701   1.523
   67    HB3  ASP   9           HB1      ASP   9   3.866  -7.276   3.212
   68    H    LEU  10           HN       LEU  10   1.840  -7.490   0.262
   69    HA   LEU  10           HA       LEU  10   0.880  -4.967   1.083
   70    HB2  LEU  10           HB2      LEU  10   1.861  -5.540  -1.162
   71    HB3  LEU  10           HB1      LEU  10   0.371  -6.370  -1.542
   72    HG   LEU  10           HG       LEU  10  -0.851  -4.227  -1.352
   73   HD11  LEU  10          HD11      LEU  10   1.900  -3.050  -1.027
   74   HD12  LEU  10          HD12      LEU  10   0.630  -3.079   0.199
   75   HD13  LEU  10          HD13      LEU  10   0.412  -2.139  -1.281
   76   HD21  LEU  10          HD21      LEU  10  -0.059  -5.015  -3.516
   77   HD22  LEU  10          HD22      LEU  10   1.489  -4.213  -3.251
   78   HD23  LEU  10          HD23      LEU  10   0.017  -3.256  -3.423
   79    H    ARG  11           HN       ARG  11  -0.754  -7.911  -0.042
   80    HA   ARG  11           HA       ARG  11  -3.407  -7.161   0.130
   81    HB2  ARG  11           HB2      ARG  11  -2.745  -9.332  -0.766
   82    HB3  ARG  11           HB1      ARG  11  -2.144  -9.835   0.806
   83    HG2  ARG  11           HG2      ARG  11  -4.411  -9.814   1.695
   84    HG3  ARG  11           HG1      ARG  11  -5.027  -9.249   0.145
   85    HD2  ARG  11           HD2      ARG  11  -5.373 -11.661   0.429
   86    HD3  ARG  11           HD1      ARG  11  -4.300 -11.318  -0.920
   87    HE   ARG  11           HE       ARG  11  -2.565 -11.756   1.067
   88   HH11  ARG  11          HH11      ARG  11  -5.446 -13.697   0.144
   89   HH12  ARG  11          HH12      ARG  11  -4.674 -15.168   0.494
   90   HH21  ARG  11          HH21      ARG  11  -1.589 -13.831   1.547
   91   HH22  ARG  11          HH22      ARG  11  -2.478 -15.258   1.313
   92    H    ARG  12           HN       ARG  12  -1.479  -8.689   2.638
   93    HA   ARG  12           HA       ARG  12  -3.375  -8.622   4.673
   94    HB2  ARG  12           HB2      ARG  12  -0.375  -8.782   4.691
   95    HB3  ARG  12           HB1      ARG  12  -1.336  -8.900   6.165
   96    HG2  ARG  12           HG2      ARG  12  -2.282 -10.911   5.544
   97    HG3  ARG  12           HG1      ARG  12  -1.949 -10.654   3.833
   98    HD2  ARG  12           HD2      ARG  12  -0.540 -12.392   4.824
   99    HD3  ARG  12           HD1      ARG  12   0.392 -11.048   4.181
  100    HE   ARG  12           HE       ARG  12  -0.141 -10.774   6.970
  101   HH11  ARG  12          HH11      ARG  12   1.965 -12.393   4.569
  102   HH12  ARG  12          HH12      ARG  12   3.269 -12.592   5.629
  103   HH21  ARG  12          HH21      ARG  12   1.699 -11.027   8.441
  104   HH22  ARG  12          HH22      ARG  12   3.118 -11.807   7.909
  105    H    ALA  13           HN       ALA  13  -0.949  -6.212   3.791
  106    HA   ALA  13           HA       ALA  13  -1.373  -4.531   6.017
  107    HB1  ALA  13           HB1      ALA  13  -0.463  -3.774   3.239
  108    HB2  ALA  13           HB2      ALA  13   0.584  -4.316   4.551
  109    HB3  ALA  13           HB3      ALA  13  -0.283  -2.788   4.690
  110    H    LEU  14           HN       LEU  14  -2.645  -4.405   2.719
  111    HA   LEU  14           HA       LEU  14  -4.246  -2.138   3.181
  112    HB2  LEU  14           HB2      LEU  14  -4.426  -4.167   0.966
  113    HB3  LEU  14           HB1      LEU  14  -5.284  -2.643   1.005
  114    HG   LEU  14           HG       LEU  14  -2.290  -3.005   0.841
  115   HD11  LEU  14          HD11      LEU  14  -3.434  -3.526  -1.225
  116   HD12  LEU  14          HD12      LEU  14  -2.536  -2.014  -1.370
  117   HD13  LEU  14          HD13      LEU  14  -4.287  -1.983  -1.162
  118   HD21  LEU  14          HD21      LEU  14  -2.839  -1.021   2.139
  119   HD22  LEU  14          HD22      LEU  14  -3.927  -0.475   0.864
  120   HD23  LEU  14          HD23      LEU  14  -2.193  -0.578   0.560
  121    H    VAL  15           HN       VAL  15  -5.055  -5.578   3.117
  122    HA   VAL  15           HA       VAL  15  -7.841  -5.156   3.260
  123    HB   VAL  15           HB       VAL  15  -6.208  -7.664   3.790
  124   HG11  VAL  15          HG11      VAL  15  -8.356  -7.861   4.924
  125   HG12  VAL  15          HG12      VAL  15  -8.237  -8.940   3.538
  126   HG13  VAL  15          HG13      VAL  15  -9.197  -7.454   3.421
  127   HG21  VAL  15          HG21      VAL  15  -6.983  -8.300   1.577
  128   HG22  VAL  15          HG22      VAL  15  -6.045  -6.807   1.550
  129   HG23  VAL  15          HG23      VAL  15  -7.804  -6.748   1.422
  130    H    GLU  16           HN       GLU  16  -5.489  -5.114   5.730
  131    HA   GLU  16           HA       GLU  16  -7.386  -5.654   7.813
  132    HB2  GLU  16           HB2      GLU  16  -4.548  -4.687   7.888
  133    HB3  GLU  16           HB1      GLU  16  -5.527  -4.868   9.335
  134    HG2  GLU  16           HG2      GLU  16  -5.790  -7.234   8.896
  135    HG3  GLU  16           HG1      GLU  16  -4.868  -7.069   7.401
  136    H    SER  17           HN       SER  17  -5.847  -2.714   6.520
  137    HA   SER  17           HA       SER  17  -7.333  -1.111   8.344
  138    HB2  SER  17           HB2      SER  17  -6.205   0.705   6.801
  139    HB3  SER  17           HB1      SER  17  -5.276  -0.189   8.008
  140    HG   SER  17           HG       SER  17  -5.330  -0.482   5.207
  141    H    ALA  18           HN       ALA  18  -7.925  -2.418   5.223
  142    HA   ALA  18           HA       ALA  18 -10.508  -1.217   5.219
  143    HB1  ALA  18           HB1      ALA  18  -9.226   0.559   4.116
  144    HB2  ALA  18           HB2      ALA  18 -10.373  -0.201   3.012
  145    HB3  ALA  18           HB3      ALA  18  -8.656  -0.604   2.917
  146    H    GLY  19           HN       GLY  19 -11.707  -2.865   4.888
  147    HA2  GLY  19           HA2      GLY  19 -11.485  -4.456   2.548
  148    HA3  GLY  19           HA1      GLY  19 -11.150  -5.338   4.043
  149    H    GLU  20           HN       GLU  20 -13.336  -6.037   2.621
  150    HA   GLU  20           HA       GLU  20 -15.390  -5.177   4.448
  151    HB2  GLU  20           HB2      GLU  20 -15.694  -3.614   2.604
  152    HB3  GLU  20           HB1      GLU  20 -15.767  -4.942   1.456
  153    HG2  GLU  20           HG2      GLU  20 -17.977  -3.957   2.027
  154    HG3  GLU  20           HG1      GLU  20 -17.857  -5.688   2.349
  155    H    THR  21           HN       THR  21 -15.136  -7.125   5.304
  156    HA   THR  21           HA       THR  21 -15.412  -9.320   5.641
  157    HB   THR  21           HB       THR  21 -17.841 -10.014   5.232
  158    HG1  THR  21           HG1      THR  21 -18.153  -7.240   4.678
  159   HG21  THR  21          HG21      THR  21 -17.235  -7.509   6.795
  160   HG22  THR  21          HG22      THR  21 -17.020  -9.167   7.357
  161   HG23  THR  21          HG23      THR  21 -18.639  -8.552   7.022
  162    H    ASP  22           HN       ASP  22 -17.651 -10.134   3.255
  163    HA   ASP  22           HA       ASP  22 -15.615 -11.326   1.531
  164    HB2  ASP  22           HB2      ASP  22 -17.827 -12.917   2.874
  165    HB3  ASP  22           HB1      ASP  22 -16.887 -13.501   1.513
  166    H    GLY  23           HN       GLY  23 -16.358 -11.741  -0.556
  167    HA2  GLY  23           HA2      GLY  23 -18.531 -12.114  -1.836
  168    HA3  GLY  23           HA1      GLY  23 -18.970 -10.543  -1.178
  169    H    THR  24           HN       THR  24 -16.779  -9.100  -1.386
  170    HA   THR  24           HA       THR  24 -15.464  -9.368  -3.888
  171    HB   THR  24           HB       THR  24 -17.585  -8.408  -4.665
  172    HG1  THR  24           HG1      THR  24 -16.129  -7.550  -5.907
  173   HG21  THR  24          HG21      THR  24 -18.388  -6.202  -3.903
  174   HG22  THR  24          HG22      THR  24 -17.112  -6.177  -2.684
  175   HG23  THR  24          HG23      THR  24 -18.387  -7.393  -2.602
  176    H    ASP  25           HN       ASP  25 -14.371  -9.586  -1.643
  177    HA   ASP  25           HA       ASP  25 -13.641  -7.082  -0.411
  178    HB2  ASP  25           HB2      ASP  25 -14.149  -8.992   1.004
  179    HB3  ASP  25           HB1      ASP  25 -12.895  -9.941   0.221
  180    H    LEU  26           HN       LEU  26 -11.235  -6.822   0.153
  181    HA   LEU  26           HA       LEU  26  -9.830  -6.708  -2.371
  182    HB2  LEU  26           HB2      LEU  26  -9.042  -5.666   0.339
  183    HB3  LEU  26           HB1      LEU  26  -8.217  -5.330  -1.169
  184    HG   LEU  26           HG       LEU  26 -11.001  -4.448  -0.422
  185   HD11  LEU  26          HD11      LEU  26 -10.033  -2.206  -0.470
  186   HD12  LEU  26          HD12      LEU  26  -8.444  -2.903  -0.791
  187   HD13  LEU  26          HD13      LEU  26  -9.259  -3.226   0.742
  188   HD21  LEU  26          HD21      LEU  26 -10.858  -4.932  -2.808
  189   HD22  LEU  26          HD22      LEU  26  -9.409  -3.935  -2.934
  190   HD23  LEU  26          HD23      LEU  26 -10.958  -3.191  -2.527
  191    H    SER  27           HN       SER  27  -9.961  -8.945   0.159
  192    HA   SER  27           HA       SER  27  -7.206  -9.591   0.144
  193    HB2  SER  27           HB2      SER  27  -7.920 -11.681   1.359
  194    HB3  SER  27           HB1      SER  27  -8.425 -10.174   2.121
  195    HG   SER  27           HG       SER  27 -10.439 -10.492   1.508
  196    H    GLY  28           HN       GLY  28  -6.488  -9.900  -1.809
  197    HA2  GLY  28           HA2      GLY  28  -5.918 -12.140  -2.960
  198    HA3  GLY  28           HA1      GLY  28  -7.624 -12.096  -3.394
  199    H    ASP  29           HN       ASP  29  -8.356 -10.089  -4.521
  200    HA   ASP  29           HA       ASP  29  -6.206  -9.271  -6.336
  201    HB2  ASP  29           HB2      ASP  29  -8.019 -10.698  -7.369
  202    HB3  ASP  29           HB1      ASP  29  -9.141  -9.378  -7.047
  203    H    PHE  30           HN       PHE  30  -5.890  -7.173  -6.701
  204    HA   PHE  30           HA       PHE  30  -7.607  -5.041  -6.043
  205    HB2  PHE  30           HB2      PHE  30  -6.595  -4.214  -3.939
  206    HB3  PHE  30           HB1      PHE  30  -7.335  -5.793  -3.701
  207    HD1  PHE  30           HD1      PHE  30  -5.903  -7.791  -3.417
  208    HD2  PHE  30           HD2      PHE  30  -4.248  -3.888  -3.681
  209    HE1  PHE  30           HE1      PHE  30  -3.774  -8.636  -2.532
  210    HE2  PHE  30           HE2      PHE  30  -2.124  -4.724  -2.804
  211    HZ   PHE  30           HZ       PHE  30  -1.878  -7.104  -2.229
  212    H    LEU  31           HN       LEU  31  -4.425  -6.313  -6.533
  213    HA   LEU  31           HA       LEU  31  -2.730  -4.151  -6.488
  214    HB2  LEU  31           HB2      LEU  31  -2.160  -6.583  -6.679
  215    HB3  LEU  31           HB1      LEU  31  -2.548  -6.469  -8.383
  216    HG   LEU  31           HG       LEU  31  -0.727  -4.823  -8.666
  217   HD11  LEU  31          HD11      LEU  31  -0.105  -5.526  -5.804
  218   HD12  LEU  31          HD12      LEU  31  -0.659  -3.959  -6.397
  219   HD13  LEU  31          HD13      LEU  31   0.922  -4.575  -6.878
  220   HD21  LEU  31          HD21      LEU  31   0.081  -7.461  -7.446
  221   HD22  LEU  31          HD22      LEU  31   1.092  -6.444  -8.473
  222   HD23  LEU  31          HD23      LEU  31  -0.366  -7.189  -9.130
  223    H    ASP  32           HN       ASP  32  -5.008  -4.961  -8.975
  224    HA   ASP  32           HA       ASP  32  -3.771  -3.207 -10.954
  225    HB2  ASP  32           HB2      ASP  32  -4.575  -5.309 -11.789
  226    HB3  ASP  32           HB1      ASP  32  -6.152  -5.053 -11.057
  227    H    LEU  33           HN       LEU  33  -6.231  -3.137  -8.605
  228    HA   LEU  33           HA       LEU  33  -7.788  -1.100  -9.930
  229    HB2  LEU  33           HB2      LEU  33  -7.930  -2.288  -7.159
  230    HB3  LEU  33           HB1      LEU  33  -8.971  -1.002  -7.705
  231    HG   LEU  33           HG       LEU  33  -9.871  -2.580  -9.444
  232   HD11  LEU  33          HD11      LEU  33  -8.049  -4.190  -9.529
  233   HD12  LEU  33          HD12      LEU  33  -9.573  -4.973  -9.115
  234   HD13  LEU  33          HD13      LEU  33  -8.373  -4.659  -7.859
  235   HD21  LEU  33          HD21      LEU  33 -10.181  -3.335  -6.548
  236   HD22  LEU  33          HD22      LEU  33 -11.287  -3.773  -7.851
  237   HD23  LEU  33          HD23      LEU  33 -11.064  -2.078  -7.416
  238    H    ARG  34           HN       ARG  34  -7.842   1.055  -9.244
  239    HA   ARG  34           HA       ARG  34  -5.296   1.905  -8.233
  240    HB2  ARG  34           HB2      ARG  34  -7.722   3.546  -9.027
  241    HB3  ARG  34           HB1      ARG  34  -6.096   4.168  -8.745
  242    HG2  ARG  34           HG2      ARG  34  -5.288   2.731 -10.602
  243    HG3  ARG  34           HG1      ARG  34  -6.960   2.291 -10.928
  244    HD2  ARG  34           HD2      ARG  34  -7.460   4.666 -11.361
  245    HD3  ARG  34           HD1      ARG  34  -5.754   5.032 -11.056
  246    HE   ARG  34           HE       ARG  34  -6.536   3.172 -13.178
  247   HH11  ARG  34          HH11      ARG  34  -4.739   6.051 -12.137
  248   HH12  ARG  34          HH12      ARG  34  -4.085   6.352 -13.699
  249   HH21  ARG  34          HH21      ARG  34  -5.613   3.618 -15.278
  250   HH22  ARG  34          HH22      ARG  34  -4.560   4.980 -15.474
  251    H    PHE  35           HN       PHE  35  -5.238   3.504  -6.434
  252    HA   PHE  35           HA       PHE  35  -6.308   2.360  -4.155
  253    HB2  PHE  35           HB2      PHE  35  -5.191   5.130  -4.542
  254    HB3  PHE  35           HB1      PHE  35  -5.724   4.537  -2.968
  255    HD1  PHE  35           HD1      PHE  35  -4.703   2.290  -2.194
  256    HD2  PHE  35           HD2      PHE  35  -3.002   4.731  -5.222
  257    HE1  PHE  35           HE1      PHE  35  -2.530   1.191  -1.849
  258    HE2  PHE  35           HE2      PHE  35  -0.825   3.640  -4.887
  259    HZ   PHE  35           HZ       PHE  35  -0.585   1.865  -3.201
  260    H    GLU  36           HN       GLU  36  -7.615   5.003  -6.018
  261    HA   GLU  36           HA       GLU  36  -9.811   5.629  -4.435
  262    HB2  GLU  36           HB2      GLU  36 -10.895   6.413  -6.497
  263    HB3  GLU  36           HB1      GLU  36  -9.245   6.985  -6.310
  264    HG2  GLU  36           HG2      GLU  36  -8.453   5.446  -7.942
  265    HG3  GLU  36           HG1      GLU  36 -10.031   4.658  -8.030
  266    H    ASP  37           HN       ASP  37  -9.334   2.800  -6.432
  267    HA   ASP  37           HA       ASP  37 -12.154   2.110  -6.549
  268    HB2  ASP  37           HB2      ASP  37  -9.710   0.493  -7.350
  269    HB3  ASP  37           HB1      ASP  37 -11.370   0.001  -7.614
  270    H    ILE  38           HN       ILE  38  -9.319   1.392  -4.696
  271    HA   ILE  38           HA       ILE  38 -10.715  -0.795  -3.369
  272    HB   ILE  38           HB       ILE  38  -8.563  -1.359  -2.280
  273   HG12  ILE  38          HG12      ILE  38  -7.418   0.856  -4.010
  274   HG13  ILE  38          HG11      ILE  38  -7.565   0.903  -2.258
  275   HG21  ILE  38          HG21      ILE  38  -9.175  -2.437  -4.357
  276   HG22  ILE  38          HG22      ILE  38  -7.429  -2.181  -4.304
  277   HG23  ILE  38          HG23      ILE  38  -8.450  -1.121  -5.282
  278   HD11  ILE  38          HD11      ILE  38  -5.855  -1.005  -3.840
  279   HD12  ILE  38          HD12      ILE  38  -5.991  -0.959  -2.082
  280   HD13  ILE  38          HD13      ILE  38  -5.291   0.407  -2.949
  281    H    GLY  39           HN       GLY  39 -11.109   2.165  -2.985
  282    HA2  GLY  39           HA2      GLY  39 -11.991   3.405  -1.245
  283    HA3  GLY  39           HA1      GLY  39 -11.829   1.986  -0.227
  284    H    TYR  40           HN       TYR  40  -9.024   3.196  -1.832
  285    HA   TYR  40           HA       TYR  40  -8.068   4.005   0.762
  286    HB2  TYR  40           HB2      TYR  40  -6.735   2.733  -1.521
  287    HB3  TYR  40           HB1      TYR  40  -5.787   3.933  -0.636
  288    HD1  TYR  40           HD1      TYR  40  -7.695   0.798  -0.285
  289    HD2  TYR  40           HD2      TYR  40  -4.985   3.528   1.486
  290    HE1  TYR  40           HE1      TYR  40  -7.319  -0.779   1.555
  291    HE2  TYR  40           HE2      TYR  40  -4.589   1.986   3.318
  292    HH   TYR  40           HH       TYR  40  -5.895  -1.255   3.293
  293    H    ASP  41           HN       ASP  41  -8.538   5.902   1.109
  294    HA   ASP  41           HA       ASP  41  -8.043   7.999  -0.815
  295    HB2  ASP  41           HB2      ASP  41  -8.893   9.502   0.903
  296    HB3  ASP  41           HB1      ASP  41  -9.995   8.142   0.720
  297    H    SER  42           HN       SER  42  -6.867   9.908   0.165
  298    HA   SER  42           HA       SER  42  -4.184   9.508   0.244
  299    HB2  SER  42           HB2      SER  42  -4.169  11.798   1.117
  300    HB3  SER  42           HB1      SER  42  -5.259  11.569  -0.265
  301    H    LEU  43           HN       LEU  43  -6.395   9.821   3.008
  302    HA   LEU  43           HA       LEU  43  -4.299  10.042   4.948
  303    HB2  LEU  43           HB2      LEU  43  -6.668  11.034   5.055
  304    HB3  LEU  43           HB1      LEU  43  -7.217   9.432   5.454
  305    HG   LEU  43           HG       LEU  43  -7.072  10.919   7.403
  306   HD11  LEU  43          HD11      LEU  43  -5.851   9.476   8.929
  307   HD12  LEU  43          HD12      LEU  43  -5.122   8.644   7.554
  308   HD13  LEU  43          HD13      LEU  43  -6.863   8.558   7.813
  309   HD21  LEU  43          HD21      LEU  43  -4.895  11.606   8.287
  310   HD22  LEU  43          HD22      LEU  43  -5.237  12.320   6.711
  311   HD23  LEU  43          HD23      LEU  43  -4.117  10.963   6.839
  312    H    ALA  44           HN       ALA  44  -6.546   7.525   3.924
  313    HA   ALA  44           HA       ALA  44  -5.644   5.536   5.748
  314    HB1  ALA  44           HB1      ALA  44  -7.781   5.346   4.559
  315    HB2  ALA  44           HB2      ALA  44  -6.769   3.928   4.278
  316    HB3  ALA  44           HB3      ALA  44  -6.919   5.165   3.029
  317    H    LEU  45           HN       LEU  45  -4.679   6.513   2.568
  318    HA   LEU  45           HA       LEU  45  -2.836   4.472   2.036
  319    HB2  LEU  45           HB2      LEU  45  -3.788   5.847   0.306
  320    HB3  LEU  45           HB1      LEU  45  -3.087   7.286   1.006
  321    HG   LEU  45           HG       LEU  45  -0.859   6.539   0.363
  322   HD11  LEU  45          HD11      LEU  45  -2.280   4.164  -0.850
  323   HD12  LEU  45          HD12      LEU  45  -1.212   4.115   0.554
  324   HD13  LEU  45          HD13      LEU  45  -0.568   4.549  -1.030
  325   HD21  LEU  45          HD21      LEU  45  -1.157   6.769  -2.039
  326   HD22  LEU  45          HD22      LEU  45  -2.252   7.852  -1.155
  327   HD23  LEU  45          HD23      LEU  45  -2.865   6.356  -1.858
  328    H    MET  46           HN       MET  46  -2.478   7.681   3.542
  329    HA   MET  46           HA       MET  46   0.338   7.475   3.712
  330    HB2  MET  46           HB2      MET  46   0.364   9.499   4.967
  331    HB3  MET  46           HB1      MET  46  -0.975   9.659   3.854
  332    HG2  MET  46           HG2      MET  46  -1.824  10.544   5.831
  333    HG3  MET  46           HG1      MET  46  -2.422   8.896   5.854
  334    HE1  MET  46           HE1      MET  46  -1.731   9.673   9.650
  335    HE2  MET  46           HE2      MET  46  -2.932   9.154   8.468
  336    HE3  MET  46           HE3      MET  46  -2.304  10.800   8.423
  337    H    GLU  47           HN       GLU  47  -2.252   6.548   5.923
  338    HA   GLU  47           HA       GLU  47  -0.603   5.852   8.087
  339    HB2  GLU  47           HB2      GLU  47  -3.287   4.844   7.205
  340    HB3  GLU  47           HB1      GLU  47  -2.520   4.245   8.683
  341    HG2  GLU  47           HG2      GLU  47  -2.499   6.644   9.450
  342    HG3  GLU  47           HG1      GLU  47  -3.483   7.024   8.037
  343    H    THR  48           HN       THR  48  -1.724   4.013   5.327
  344    HA   THR  48           HA       THR  48  -0.529   1.570   5.989
  345    HB   THR  48           HB       THR  48  -1.168   2.718   3.258
  346    HG1  THR  48           HG1      THR  48  -3.045   2.649   4.476
  347   HG21  THR  48          HG21      THR  48  -1.316   0.359   2.559
  348   HG22  THR  48          HG22      THR  48  -0.836  -0.155   4.175
  349   HG23  THR  48          HG23      THR  48   0.302   0.727   3.158
  350    H    ALA  49           HN       ALA  49   0.667   4.285   3.991
  351    HA   ALA  49           HA       ALA  49   3.129   3.215   3.268
  352    HB1  ALA  49           HB1      ALA  49   2.211   5.281   2.311
  353    HB2  ALA  49           HB2      ALA  49   3.854   5.527   2.909
  354    HB3  ALA  49           HB3      ALA  49   2.478   6.110   3.844
  355    H    ALA  50           HN       ALA  50   2.348   5.271   6.063
  356    HA   ALA  50           HA       ALA  50   4.894   5.293   7.235
  357    HB1  ALA  50           HB1      ALA  50   3.104   6.859   7.834
  358    HB2  ALA  50           HB2      ALA  50   3.765   6.052   9.258
  359    HB3  ALA  50           HB3      ALA  50   2.212   5.542   8.595
  360    H    ARG  51           HN       ARG  51   2.254   3.032   7.513
  361    HA   ARG  51           HA       ARG  51   3.171   1.447   9.644
  362    HB2  ARG  51           HB2      ARG  51   0.915   1.297   8.757
  363    HB3  ARG  51           HB1      ARG  51   1.532   0.744   7.213
  364    HG2  ARG  51           HG2      ARG  51   2.352  -1.303   8.313
  365    HG3  ARG  51           HG1      ARG  51   1.629  -0.740   9.826
  366    HD2  ARG  51           HD2      ARG  51  -0.554  -0.641   8.726
  367    HD3  ARG  51           HD1      ARG  51   0.179  -1.250   7.244
  368    HE   ARG  51           HE       ARG  51   0.836  -3.126   9.060
  369   HH11  ARG  51          HH11      ARG  51  -2.214  -1.701   7.974
  370   HH12  ARG  51          HH12      ARG  51  -3.175  -2.992   8.538
  371   HH21  ARG  51          HH21      ARG  51  -0.414  -4.909   9.741
  372   HH22  ARG  51          HH22      ARG  51  -2.099  -4.936   9.573
  373    H    LEU  52           HN       LEU  52   3.613   1.157   6.150
  374    HA   LEU  52           HA       LEU  52   5.201  -1.182   6.256
  375    HB2  LEU  52           HB2      LEU  52   4.995   0.904   4.088
  376    HB3  LEU  52           HB1      LEU  52   5.766  -0.662   3.912
  377    HG   LEU  52           HG       LEU  52   2.845  -0.218   4.496
  378   HD11  LEU  52          HD11      LEU  52   4.224  -1.071   1.962
  379   HD12  LEU  52          HD12      LEU  52   3.419   0.473   2.243
  380   HD13  LEU  52          HD13      LEU  52   2.482  -1.020   2.216
  381   HD21  LEU  52          HD21      LEU  52   3.657  -2.297   5.454
  382   HD22  LEU  52          HD22      LEU  52   4.372  -2.753   3.907
  383   HD23  LEU  52          HD23      LEU  52   2.617  -2.622   4.066
  384    H    GLU  53           HN       GLU  53   5.962   2.237   6.287
  385    HA   GLU  53           HA       GLU  53   8.721   2.027   6.013
  386    HB2  GLU  53           HB2      GLU  53   7.080   4.055   7.518
  387    HB3  GLU  53           HB1      GLU  53   8.816   4.201   7.262
  388    HG2  GLU  53           HG2      GLU  53   8.462   4.166   4.862
  389    HG3  GLU  53           HG1      GLU  53   6.726   4.049   5.112
  390    H    SER  54           HN       SER  54   6.833   2.261   9.028
  391    HA   SER  54           HA       SER  54   9.020   1.780  10.690
  392    HB2  SER  54           HB2      SER  54   6.070   1.395  11.214
  393    HB3  SER  54           HB1      SER  54   7.329   1.413  12.451
  394    HG   SER  54           HG       SER  54   7.902   3.524  11.524
  395    H    ARG  55           HN       ARG  55   6.741  -0.483   9.197
  396    HA   ARG  55           HA       ARG  55   7.605  -2.717  10.682
  397    HB2  ARG  55           HB2      ARG  55   5.477  -2.804   9.532
  398    HB3  ARG  55           HB1      ARG  55   6.269  -2.615   7.971
  399    HG2  ARG  55           HG2      ARG  55   7.404  -4.771   8.308
  400    HG3  ARG  55           HG1      ARG  55   6.556  -4.961   9.838
  401    HD2  ARG  55           HD2      ARG  55   4.449  -5.127   8.719
  402    HD3  ARG  55           HD1      ARG  55   5.172  -4.664   7.174
  403    HE   ARG  55           HE       ARG  55   6.319  -6.989   8.426
  404   HH11  ARG  55          HH11      ARG  55   3.594  -6.075   6.298
  405   HH12  ARG  55          HH12      ARG  55   3.828  -7.418   5.285
  406   HH21  ARG  55          HH21      ARG  55   6.526  -8.847   6.992
  407   HH22  ARG  55          HH22      ARG  55   5.463  -8.976   5.656
  408    H    TYR  56           HN       TYR  56   8.666  -1.543   7.481
  409    HA   TYR  56           HA       TYR  56  10.564  -3.755   7.377
  410    HB2  TYR  56           HB2      TYR  56   9.802  -1.720   5.299
  411    HB3  TYR  56           HB1      TYR  56  11.043  -2.943   5.062
  412    HD1  TYR  56           HD2      TYR  56  10.436  -5.298   4.868
  413    HD2  TYR  56           HD1      TYR  56   7.461  -2.290   5.271
  414    HE1  TYR  56           HE2      TYR  56   8.730  -6.892   4.100
  415    HE2  TYR  56           HE1      TYR  56   5.750  -3.855   4.509
  416    HH   TYR  56           HH       TYR  56   6.296  -7.220   4.218
  417    H    GLY  57           HN       GLY  57  10.633  -0.487   8.304
  418    HA2  GLY  57           HA2      GLY  57  12.451   0.705   9.100
  419    HA3  GLY  57           HA1      GLY  57  13.516  -0.583   8.541
  420    H    VAL  58           HN       VAL  58  11.117   1.001   6.612
  421    HA   VAL  58           HA       VAL  58  13.251   2.014   4.886
  422    HB   VAL  58           HB       VAL  58  11.672   1.971   2.983
  423   HG11  VAL  58          HG11      VAL  58  13.135   0.083   3.314
  424   HG12  VAL  58          HG12      VAL  58  11.576  -0.446   2.671
  425   HG13  VAL  58          HG13      VAL  58  11.949  -0.674   4.379
  426   HG21  VAL  58          HG21      VAL  58   9.786   0.600   4.902
  427   HG22  VAL  58          HG22      VAL  58   9.534   0.764   3.164
  428   HG23  VAL  58          HG23      VAL  58   9.562   2.197   4.190
  429    H    SER  59           HN       SER  59  12.400   3.914   3.457
  430    HA   SER  59           HA       SER  59  10.749   5.671   5.097
  431    HB2  SER  59           HB2      SER  59  13.241   6.073   5.497
  432    HB3  SER  59           HB1      SER  59  13.354   6.547   3.805
  433    HG   SER  59           HG       SER  59  11.654   7.707   5.739
  434    H    ILE  60           HN       ILE  60   9.118   6.117   3.854
  435    HA   ILE  60           HA       ILE  60   9.365   6.023   0.931
  436    HB   ILE  60           HB       ILE  60   6.869   6.127   2.656
  437   HG12  ILE  60          HG12      ILE  60   8.025   3.794   1.112
  438   HG13  ILE  60          HG11      ILE  60   8.149   4.003   2.856
  439   HG21  ILE  60          HG21      ILE  60   7.162   5.685  -0.320
  440   HG22  ILE  60          HG22      ILE  60   6.486   7.115   0.462
  441   HG23  ILE  60          HG23      ILE  60   5.654   5.565   0.586
  442   HD11  ILE  60          HD11      ILE  60   5.592   3.687   1.299
  443   HD12  ILE  60          HD12      ILE  60   5.723   3.868   3.050
  444   HD13  ILE  60          HD13      ILE  60   6.384   2.437   2.260
  445    HA   PRO  61           HA       PRO  61   9.330  10.549   1.128
  446    HB2  PRO  61           HB2      PRO  61   9.242  10.166  -1.813
  447    HB3  PRO  61           HB1      PRO  61  10.369  11.124  -0.844
  448    HG2  PRO  61           HG2      PRO  61  11.133   8.836  -1.974
  449    HG3  PRO  61           HG1      PRO  61  11.710   9.306  -0.364
  450    HD2  PRO  61           HD2      PRO  61   9.598   7.332  -1.118
  451    HD3  PRO  61           HD1      PRO  61  10.835   7.236   0.155
  452    H    ASP  62           HN       ASP  62   7.601  11.873   1.050
  453    HA   ASP  62           HA       ASP  62   4.992  10.938   0.649
  454    HB2  ASP  62           HB2      ASP  62   4.208  13.214   0.888
  455    HB3  ASP  62           HB1      ASP  62   5.535  12.966   2.009
  456    H    ASP  63           HN       ASP  63   7.248  12.255  -1.639
  457    HA   ASP  63           HA       ASP  63   5.373  12.911  -3.672
  458    HB2  ASP  63           HB2      ASP  63   7.613  13.845  -3.775
  459    HB3  ASP  63           HB1      ASP  63   8.322  12.236  -3.866
  460    H    VAL  64           HN       VAL  64   6.788   9.960  -2.620
  461    HA   VAL  64           HA       VAL  64   6.194   8.461  -4.988
  462    HB   VAL  64           HB       VAL  64   6.685   7.511  -2.144
  463   HG11  VAL  64          HG11      VAL  64   7.115   5.324  -3.164
  464   HG12  VAL  64          HG12      VAL  64   6.674   5.978  -4.743
  465   HG13  VAL  64          HG13      VAL  64   5.463   5.866  -3.466
  466   HG21  VAL  64          HG21      VAL  64   8.935   6.959  -2.941
  467   HG22  VAL  64          HG22      VAL  64   8.610   8.688  -3.067
  468   HG23  VAL  64          HG23      VAL  64   8.555   7.673  -4.509
  469    H    ALA  65           HN       ALA  65   4.798   8.696  -1.729
  470    HA   ALA  65           HA       ALA  65   2.570   7.069  -2.178
  471    HB1  ALA  65           HB1      ALA  65   3.325   7.743   0.061
  472    HB2  ALA  65           HB2      ALA  65   1.611   8.083  -0.180
  473    HB3  ALA  65           HB3      ALA  65   2.788   9.391  -0.262
  474    H    GLY  66           HN       GLY  66   3.106  10.417  -2.932
  475    HA2  GLY  66           HA2      GLY  66   0.351  10.950  -3.579
  476    HA3  GLY  66           HA1      GLY  66   1.717  12.015  -3.878
  477    H    ARG  67           HN       ARG  67   3.016   9.576  -5.320
  478    HA   ARG  67           HA       ARG  67   1.711  10.244  -7.868
  479    HB2  ARG  67           HB2      ARG  67   3.744   9.717  -9.006
  480    HB3  ARG  67           HB1      ARG  67   4.150  10.747  -7.644
  481    HG2  ARG  67           HG2      ARG  67   4.788   8.699  -6.378
  482    HG3  ARG  67           HG1      ARG  67   4.541   7.778  -7.863
  483    HD2  ARG  67           HD2      ARG  67   6.217   9.191  -8.975
  484    HD3  ARG  67           HD1      ARG  67   6.488  10.035  -7.450
  485    HE   ARG  67           HE       ARG  67   6.854   7.142  -7.648
  486   HH11  ARG  67          HH11      ARG  67   8.198  10.360  -6.824
  487   HH12  ARG  67          HH12      ARG  67   9.700   9.728  -6.391
  488   HH21  ARG  67          HH21      ARG  67   8.982   6.331  -6.971
  489   HH22  ARG  67          HH22      ARG  67  10.135   7.475  -6.413
  490    H    VAL  68           HN       VAL  68   2.133   7.640  -5.701
  491    HA   VAL  68           HA       VAL  68   1.698   5.667  -7.743
  492    HB   VAL  68           HB       VAL  68   1.687   3.978  -5.916
  493   HG11  VAL  68          HG11      VAL  68   3.778   4.573  -6.937
  494   HG12  VAL  68          HG12      VAL  68   4.016   4.230  -5.222
  495   HG13  VAL  68          HG13      VAL  68   3.992   5.899  -5.794
  496   HG21  VAL  68          HG21      VAL  68   2.158   6.314  -4.054
  497   HG22  VAL  68          HG22      VAL  68   2.310   4.608  -3.634
  498   HG23  VAL  68          HG23      VAL  68   0.727   5.269  -4.073
  499    H    ASP  69           HN       ASP  69  -0.109   5.551  -8.631
  500    HA   ASP  69           HA       ASP  69  -2.542   6.277  -7.178
  501    HB2  ASP  69           HB2      ASP  69  -1.989   7.380  -9.356
  502    HB3  ASP  69           HB1      ASP  69  -2.148   5.814 -10.139
  503    H    THR  70           HN       THR  70  -0.837   3.636  -8.473
  504    HA   THR  70           HA       THR  70  -3.058   1.847  -7.772
  505    HB   THR  70           HB       THR  70  -1.934   0.212  -9.407
  506    HG1  THR  70           HG1      THR  70  -0.410   2.483  -9.830
  507   HG21  THR  70          HG21      THR  70  -3.251   2.681 -10.531
  508   HG22  THR  70          HG22      THR  70  -4.079   1.253  -9.907
  509   HG23  THR  70          HG23      THR  70  -3.091   1.136 -11.364
  510    HA   PRO  71           HA       PRO  71  -0.501   0.099  -4.633
  511    HB2  PRO  71           HB2      PRO  71  -1.456  -2.553  -5.589
  512    HB3  PRO  71           HB1      PRO  71  -1.521  -1.855  -3.965
  513    HG2  PRO  71           HG2      PRO  71  -3.708  -1.986  -5.451
  514    HG3  PRO  71           HG1      PRO  71  -3.372  -0.551  -4.461
  515    HD2  PRO  71           HD2      PRO  71  -3.054  -0.943  -7.405
  516    HD3  PRO  71           HD1      PRO  71  -3.646   0.473  -6.512
  517    H    ARG  72           HN       ARG  72  -0.368  -1.401  -7.817
  518    HA   ARG  72           HA       ARG  72   1.863  -2.976  -7.587
  519    HB2  ARG  72           HB2      ARG  72   2.164  -2.700 -10.049
  520    HB3  ARG  72           HB1      ARG  72   0.502  -3.035  -9.586
  521    HG2  ARG  72           HG2      ARG  72  -0.074  -0.693  -9.876
  522    HG3  ARG  72           HG1      ARG  72   1.602  -0.314 -10.258
  523    HD2  ARG  72           HD2      ARG  72   0.248  -0.442 -12.277
  524    HD3  ARG  72           HD1      ARG  72   1.470  -1.707 -12.253
  525    HE   ARG  72           HE       ARG  72  -0.269  -3.269 -11.612
  526   HH11  ARG  72          HH11      ARG  72  -1.477  -0.178 -13.022
  527   HH12  ARG  72          HH12      ARG  72  -2.908  -0.900 -13.596
  528   HH21  ARG  72          HH21      ARG  72  -2.160  -4.168 -12.454
  529   HH22  ARG  72          HH22      ARG  72  -3.331  -3.226 -13.264
  530    H    GLU  73           HN       GLU  73   1.746   0.491  -8.240
  531    HA   GLU  73           HA       GLU  73   4.488   0.905  -8.780
  532    HB2  GLU  73           HB2      GLU  73   2.401   2.826  -7.755
  533    HB3  GLU  73           HB1      GLU  73   3.920   3.262  -8.529
  534    HG2  GLU  73           HG2      GLU  73   3.217   2.374 -10.605
  535    HG3  GLU  73           HG1      GLU  73   1.804   1.620  -9.870
  536    H    LEU  74           HN       LEU  74   2.510   1.122  -5.914
  537    HA   LEU  74           HA       LEU  74   4.479   2.162  -4.155
  538    HB2  LEU  74           HB2      LEU  74   1.993   2.299  -3.829
  539    HB3  LEU  74           HB1      LEU  74   1.955   0.585  -3.535
  540    HG   LEU  74           HG       LEU  74   1.727   2.029  -1.502
  541   HD11  LEU  74          HD11      LEU  74   3.231   0.761  -0.062
  542   HD12  LEU  74          HD12      LEU  74   4.101   0.188  -1.483
  543   HD13  LEU  74          HD13      LEU  74   2.415  -0.269  -1.240
  544   HD21  LEU  74          HD21      LEU  74   3.260   3.803  -2.117
  545   HD22  LEU  74          HD22      LEU  74   4.619   2.684  -2.041
  546   HD23  LEU  74          HD23      LEU  74   3.728   3.091  -0.571
  547    H    LEU  75           HN       LEU  75   3.246  -1.090  -4.795
  548    HA   LEU  75           HA       LEU  75   4.769  -2.631  -3.065
  549    HB2  LEU  75           HB2      LEU  75   2.958  -3.520  -4.426
  550    HB3  LEU  75           HB1      LEU  75   3.857  -3.200  -5.892
  551    HG   LEU  75           HG       LEU  75   5.540  -4.892  -5.152
  552   HD11  LEU  75          HD11      LEU  75   5.116  -4.818  -2.779
  553   HD12  LEU  75          HD12      LEU  75   4.920  -6.455  -3.406
  554   HD13  LEU  75          HD13      LEU  75   3.501  -5.479  -3.030
  555   HD21  LEU  75          HD21      LEU  75   3.795  -5.469  -6.748
  556   HD22  LEU  75          HD22      LEU  75   2.707  -5.877  -5.417
  557   HD23  LEU  75          HD23      LEU  75   4.175  -6.823  -5.682
  558    H    ASP  76           HN       ASP  76   5.448  -1.695  -6.391
  559    HA   ASP  76           HA       ASP  76   7.969  -2.805  -6.666
  560    HB2  ASP  76           HB2      ASP  76   6.706  -2.037  -8.577
  561    HB3  ASP  76           HB1      ASP  76   6.808  -0.370  -8.014
  562    H    LEU  77           HN       LEU  77   7.067   0.427  -5.461
  563    HA   LEU  77           HA       LEU  77   9.702   1.423  -5.317
  564    HB2  LEU  77           HB2      LEU  77   7.683   2.857  -5.260
  565    HB3  LEU  77           HB1      LEU  77   7.250   2.205  -3.705
  566    HG   LEU  77           HG       LEU  77   8.182   4.532  -3.697
  567   HD11  LEU  77          HD11      LEU  77   9.720   2.552  -2.039
  568   HD12  LEU  77          HD12      LEU  77   8.171   3.290  -1.632
  569   HD13  LEU  77          HD13      LEU  77   9.620   4.288  -1.741
  570   HD21  LEU  77          HD21      LEU  77  10.770   3.153  -4.376
  571   HD22  LEU  77          HD22      LEU  77  10.606   4.837  -3.875
  572   HD23  LEU  77          HD23      LEU  77   9.888   4.295  -5.390
  573    H    ILE  78           HN       ILE  78   7.689  -0.302  -3.004
  574    HA   ILE  78           HA       ILE  78   9.507  -0.122  -0.844
  575    HB   ILE  78           HB       ILE  78   7.455  -2.305  -1.342
  576   HG12  ILE  78          HG12      ILE  78   6.406  -0.093  -1.312
  577   HG13  ILE  78          HG11      ILE  78   5.984  -0.997   0.136
  578   HG21  ILE  78          HG21      ILE  78   8.833  -1.434   1.205
  579   HG22  ILE  78          HG22      ILE  78   9.122  -2.936   0.330
  580   HG23  ILE  78          HG23      ILE  78   7.557  -2.647   1.093
  581   HD11  ILE  78          HD11      ILE  78   6.439   1.326   0.642
  582   HD12  ILE  78          HD12      ILE  78   8.051   1.180  -0.053
  583   HD13  ILE  78          HD13      ILE  78   7.632   0.278   1.407
  584    H    ASN  79           HN       ASN  79   8.980  -2.598  -3.329
  585    HA   ASN  79           HA       ASN  79  10.966  -4.367  -2.331
  586    HB2  ASN  79           HB2      ASN  79   9.798  -4.125  -5.116
  587    HB3  ASN  79           HB1      ASN  79  11.053  -5.287  -4.736
  588   HD21  ASN  79          HD21      ASN  79   8.313  -4.407  -2.650
  589   HD22  ASN  79          HD22      ASN  79   7.583  -5.978  -2.725
  590    H    GLY  80           HN       GLY  80  11.080  -1.701  -4.608
  591    HA2  GLY  80           HA2      GLY  80  13.725  -1.974  -5.452
  592    HA3  GLY  80           HA1      GLY  80  12.806  -0.474  -5.399
  593    H    ALA  81           HN       ALA  81  12.369  -0.138  -2.745
  594    HA   ALA  81           HA       ALA  81  14.851   0.908  -1.876
  595    HB1  ALA  81           HB1      ALA  81  13.640   1.583   0.140
  596    HB2  ALA  81           HB2      ALA  81  12.295   0.538  -0.316
  597    HB3  ALA  81           HB3      ALA  81  12.700   1.936  -1.310
  598    H    LEU  82           HN       LEU  82  13.081  -2.000  -1.105
  599    HA   LEU  82           HA       LEU  82  14.720  -2.825   1.069
  600    HB2  LEU  82           HB2      LEU  82  12.926  -4.414  -0.764
  601    HB3  LEU  82           HB1      LEU  82  13.720  -5.082   0.648
  602    HG   LEU  82           HG       LEU  82  11.721  -2.822   0.732
  603   HD11  LEU  82          HD11      LEU  82  10.670  -4.883  -0.008
  604   HD12  LEU  82          HD12      LEU  82  10.175  -4.474   1.633
  605   HD13  LEU  82          HD13      LEU  82  11.369  -5.745   1.361
  606   HD21  LEU  82          HD21      LEU  82  13.302  -2.811   2.574
  607   HD22  LEU  82          HD22      LEU  82  12.939  -4.511   2.898
  608   HD23  LEU  82          HD23      LEU  82  11.688  -3.283   3.117
  609    H    ALA  83           HN       ALA  83  14.752  -3.474  -2.397
  610    HA   ALA  83           HA       ALA  83  16.904  -5.283  -2.394
  611    HB1  ALA  83           HB1      ALA  83  16.015  -3.415  -4.592
  612    HB2  ALA  83           HB2      ALA  83  15.373  -5.030  -4.296
  613    HB3  ALA  83           HB3      ALA  83  17.054  -4.826  -4.791
  614    H    GLU  84           HN       GLU  84  16.752  -1.771  -2.693
  615    HA   GLU  84           HA       GLU  84  19.559  -1.461  -3.101
  616    HB2  GLU  84           HB2      GLU  84  17.481   0.548  -2.257
  617    HB3  GLU  84           HB1      GLU  84  19.136   0.943  -2.698
  618    HG2  GLU  84           HG2      GLU  84  18.738   0.043  -4.934
  619    HG3  GLU  84           HG1      GLU  84  17.073  -0.316  -4.481
  620    H    ALA  85           HN       ALA  85  17.752  -2.144  -0.384
  621    HA   ALA  85           HA       ALA  85  19.442  -0.829   1.530
  622    HB1  ALA  85           HB1      ALA  85  17.095  -1.326   2.076
  623    HB2  ALA  85           HB2      ALA  85  18.194  -2.102   3.217
  624    HB3  ALA  85           HB3      ALA  85  17.432  -3.053   1.938
  625    H    ALA  86           HN       ALA  86  18.821  -4.263   0.839
  626    HA   ALA  86           HA       ALA  86  21.571  -4.929   0.775
  627    HB1  ALA  86           HB1      ALA  86  21.512  -6.457   2.712
  628    HB2  ALA  86           HB2      ALA  86  19.899  -5.871   3.120
  629    HB3  ALA  86           HB3      ALA  86  21.284  -4.781   3.211
  630    H28  SXH  87          H28B      SXH  87  -4.331  12.264   3.439
  631   H28A  SXH  87          H28A      SXH  87  -4.880  13.706   4.295
  632    H30  SXH  87          H30C      SXH  87  -2.260  12.200   4.580
  633   H30A  SXH  87          H30A      SXH  87  -2.796  13.569   5.557
  634   H30B  SXH  87          H30B      SXH  87  -1.232  13.621   4.740
  635    H31  SXH  87          H31A      SXH  87  -2.155  12.338   2.160
  636   H31A  SXH  87          H31C      SXH  87  -2.680  13.796   1.317
  637   H31B  SXH  87          H31B      SXH  87  -1.160  13.791   2.209
  638    H32  SXH  87          H32A      SXH  87  -3.307  15.789   4.477
  639   HO33  SXH  87          H33A      SXH  87  -2.980  15.949   1.665
  640   HN36  SXH  87          H36A      SXH  87  -1.358  16.003   5.433
  641    H37  SXH  87          H37A      SXH  87   1.200  16.186   4.208
  642   H37A  SXH  87          H37B      SXH  87   0.503  17.788   4.390
  643    H38  SXH  87          H38A      SXH  87   1.916  17.276   6.277
  644   H38A  SXH  87          H38B      SXH  87   0.234  17.448   6.795
  645   HN41  SXH  87          H41A      SXH  87   0.807  14.641   5.209
  646    H42  SXH  87          H42A      SXH  87   1.541  12.949   7.478
  647   H42A  SXH  87          H42B      SXH  87   0.000  12.688   6.672
  648    H43  SXH  87          H43A      SXH  87   1.557  11.199   5.683
  649   H43A  SXH  87          H43B      SXH  87   2.693  12.538   5.414
  650    H2   SXH  87           H2A      SXH  87   2.376  11.126   0.931
  651    H2A  SXH  87           H2B      SXH  87   1.600  12.700   1.116
  652    H3   SXH  87           H3A      SXH  87  -0.466  11.538   1.818
  653    H3A  SXH  87           H3B      SXH  87   0.337   9.994   1.510
  654    H4   SXH  87           H4B      SXH  87  -0.125  12.156  -0.536
  655    H4A  SXH  87           H4A      SXH  87   0.626  10.586  -0.826
  656    H5   SXH  87           H5A      SXH  87  -2.209  11.048   0.108
  657    H5A  SXH  87           H5B      SXH  87  -1.456   9.470  -0.185
  658    H6   SXH  87           H6C      SXH  87  -1.850  11.672  -2.209
  659    H6A  SXH  87           H6A      SXH  87  -2.806  10.195  -2.092
  660    H6B  SXH  87           H6B      SXH  87  -1.096  10.107  -2.520
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  17.530  -8.101  -2.705
    2    H2   MET   1           HT2      MET   1  18.937  -7.611  -1.944
    3    H3   MET   1           HT3      MET   1  17.598  -8.031  -1.015
    4    HA   MET   1           HA       MET   1  19.229  -9.751  -2.771
    5    HB2  MET   1           HB2      MET   1  20.438  -9.275  -0.747
    6    HB3  MET   1           HB1      MET   1  19.029  -9.625   0.244
    7    HG2  MET   1           HG2      MET   1  20.706 -11.411   0.330
    8    HG3  MET   1           HG1      MET   1  19.165 -11.970  -0.310
    9    HE1  MET   1           HE1      MET   1  22.883 -11.008  -1.150
   10    HE2  MET   1           HE2      MET   1  21.978  -9.888  -2.170
   11    HE3  MET   1           HE3      MET   1  22.914 -11.191  -2.904
   12    H    ALA   2           HN       ALA   2  16.913 -10.322  -0.049
   13    HA   ALA   2           HA       ALA   2  15.434 -12.020  -1.911
   14    HB1  ALA   2           HB1      ALA   2  16.501 -13.016   0.719
   15    HB2  ALA   2           HB2      ALA   2  17.122 -13.454  -0.872
   16    HB3  ALA   2           HB3      ALA   2  15.484 -13.919  -0.404
   17    H    THR   3           HN       THR   3  15.230  -9.579   0.222
   18    HA   THR   3           HA       THR   3  12.828 -10.530   1.553
   19    HB   THR   3           HB       THR   3  14.356  -7.955   1.753
   20    HG1  THR   3           HG1      THR   3  15.627  -9.577   2.550
   21   HG21  THR   3          HG21      THR   3  13.101  -7.629   3.875
   22   HG22  THR   3          HG22      THR   3  12.205  -9.111   3.554
   23   HG23  THR   3          HG23      THR   3  12.016  -7.719   2.487
   24    H    LEU   4           HN       LEU   4  11.130 -10.450   0.204
   25    HA   LEU   4           HA       LEU   4  10.644  -7.991  -1.264
   26    HB2  LEU   4           HB2      LEU   4  10.447 -10.792  -2.369
   27    HB3  LEU   4           HB1      LEU   4   9.794  -9.373  -3.156
   28    HG   LEU   4           HG       LEU   4  12.732  -9.786  -2.569
   29   HD11  LEU   4          HD11      LEU   4  12.950 -10.214  -4.959
   30   HD12  LEU   4          HD12      LEU   4  11.199 -10.125  -5.138
   31   HD13  LEU   4          HD13      LEU   4  11.924 -11.417  -4.181
   32   HD21  LEU   4          HD21      LEU   4  13.042  -7.927  -4.124
   33   HD22  LEU   4          HD22      LEU   4  12.072  -7.439  -2.733
   34   HD23  LEU   4          HD23      LEU   4  11.295  -7.761  -4.283
   35    H    LEU   5           HN       LEU   5   8.706  -7.323  -1.137
   36    HA   LEU   5           HA       LEU   5   6.687  -8.636   0.468
   37    HB2  LEU   5           HB2      LEU   5   7.303  -6.174   0.526
   38    HB3  LEU   5           HB1      LEU   5   6.701  -6.045  -1.105
   39    HG   LEU   5           HG       LEU   5   4.441  -6.735  -0.205
   40   HD11  LEU   5          HD11      LEU   5   5.790  -6.148   2.417
   41   HD12  LEU   5          HD12      LEU   5   5.262  -7.732   1.866
   42   HD13  LEU   5          HD13      LEU   5   4.071  -6.463   2.174
   43   HD21  LEU   5          HD21      LEU   5   4.996  -4.428  -0.764
   44   HD22  LEU   5          HD22      LEU   5   5.687  -4.196   0.836
   45   HD23  LEU   5          HD23      LEU   5   3.957  -4.501   0.656
   46    H    THR   6           HN       THR   6   5.162  -9.972  -0.627
   47    HA   THR   6           HA       THR   6   5.087  -9.535  -3.503
   48    HB   THR   6           HB       THR   6   4.122 -11.803  -3.764
   49    HG1  THR   6           HG1      THR   6   4.410 -11.914  -0.912
   50   HG21  THR   6          HG21      THR   6   6.724 -11.727  -2.229
   51   HG22  THR   6          HG22      THR   6   6.533 -11.514  -3.969
   52   HG23  THR   6          HG23      THR   6   6.167 -13.071  -3.227
   53    H    THR   7           HN       THR   7   2.736 -10.716  -4.225
   54    HA   THR   7           HA       THR   7   0.926  -8.662  -4.174
   55    HB   THR   7           HB       THR   7   0.322 -11.610  -4.482
   56    HG1  THR   7           HG1      THR   7   1.717 -11.517  -6.048
   57   HG21  THR   7          HG21      THR   7  -0.852  -9.148  -5.805
   58   HG22  THR   7          HG22      THR   7  -1.640 -10.102  -4.549
   59   HG23  THR   7          HG23      THR   7  -1.321 -10.818  -6.130
   60    H    ASP   8           HN       ASP   8   0.727 -11.730  -2.318
   61    HA   ASP   8           HA       ASP   8  -1.634 -10.998  -0.933
   62    HB2  ASP   8           HB2      ASP   8  -1.034 -13.338  -1.263
   63    HB3  ASP   8           HB1      ASP   8   0.410 -13.126  -0.286
   64    H    ASP   9           HN       ASP   9   1.744 -10.682  -0.204
   65    HA   ASP   9           HA       ASP   9   1.549 -10.014   2.554
   66    HB2  ASP   9           HB2      ASP   9   3.654  -9.193   0.539
   67    HB3  ASP   9           HB1      ASP   9   3.743  -8.900   2.265
   68    H    LEU  10           HN       LEU  10   1.696  -8.053  -0.376
   69    HA   LEU  10           HA       LEU  10   1.620  -5.533   0.888
   70    HB2  LEU  10           HB2      LEU  10   2.353  -5.819  -1.420
   71    HB3  LEU  10           HB1      LEU  10   0.754  -6.366  -1.882
   72    HG   LEU  10           HG       LEU  10  -0.134  -4.111  -1.332
   73   HD11  LEU  10          HD11      LEU  10   1.535  -3.412   0.276
   74   HD12  LEU  10          HD12      LEU  10   1.412  -2.249  -1.046
   75   HD13  LEU  10          HD13      LEU  10   2.763  -3.383  -0.991
   76   HD21  LEU  10          HD21      LEU  10   0.440  -4.695  -3.618
   77   HD22  LEU  10          HD22      LEU  10   2.103  -4.176  -3.347
   78   HD23  LEU  10          HD23      LEU  10   0.794  -2.998  -3.301
   79    H    ARG  11           HN       ARG  11  -0.878  -7.528  -0.598
   80    HA   ARG  11           HA       ARG  11  -3.081  -5.913  -0.248
   81    HB2  ARG  11           HB2      ARG  11  -3.147  -7.953  -1.532
   82    HB3  ARG  11           HB1      ARG  11  -2.920  -8.907  -0.079
   83    HG2  ARG  11           HG2      ARG  11  -5.084  -8.308   0.739
   84    HG3  ARG  11           HG1      ARG  11  -5.303  -7.138  -0.571
   85    HD2  ARG  11           HD2      ARG  11  -6.494  -9.247  -0.970
   86    HD3  ARG  11           HD1      ARG  11  -5.283  -8.899  -2.202
   87    HE   ARG  11           HE       ARG  11  -4.557 -10.633   0.023
   88   HH11  ARG  11          HH11      ARG  11  -5.379 -10.307  -3.411
   89   HH12  ARG  11          HH12      ARG  11  -4.783 -11.797  -3.888
   90   HH21  ARG  11          HH21      ARG  11  -3.669 -12.738  -0.604
   91   HH22  ARG  11          HH22      ARG  11  -3.830 -13.281  -2.205
   92    H    ARG  12           HN       ARG  12  -1.743  -8.254   2.035
   93    HA   ARG  12           HA       ARG  12  -3.628  -7.945   4.050
   94    HB2  ARG  12           HB2      ARG  12  -0.701  -8.613   4.226
   95    HB3  ARG  12           HB1      ARG  12  -1.802  -8.695   5.594
   96    HG2  ARG  12           HG2      ARG  12  -3.116 -10.381   4.492
   97    HG3  ARG  12           HG1      ARG  12  -2.124 -10.235   3.038
   98    HD2  ARG  12           HD2      ARG  12  -1.511 -12.183   4.380
   99    HD3  ARG  12           HD1      ARG  12  -0.191 -11.021   4.256
  100    HE   ARG  12           HE       ARG  12  -0.901 -10.268   6.520
  101   HH11  ARG  12          HH11      ARG  12  -1.792 -13.540   5.480
  102   HH12  ARG  12          HH12      ARG  12  -1.592 -14.238   7.016
  103   HH21  ARG  12          HH21      ARG  12  -0.614 -11.193   8.604
  104   HH22  ARG  12          HH22      ARG  12  -0.829 -12.878   8.851
  105    H    ALA  13           HN       ALA  13  -0.604  -6.171   3.556
  106    HA   ALA  13           HA       ALA  13  -0.819  -4.572   5.880
  107    HB1  ALA  13           HB1      ALA  13   1.278  -4.872   4.643
  108    HB2  ALA  13           HB2      ALA  13   0.883  -3.165   4.843
  109    HB3  ALA  13           HB3      ALA  13   0.606  -3.961   3.292
  110    H    LEU  14           HN       LEU  14  -1.997  -4.173   2.616
  111    HA   LEU  14           HA       LEU  14  -2.938  -1.518   2.865
  112    HB2  LEU  14           HB2      LEU  14  -4.038  -3.720   1.112
  113    HB3  LEU  14           HB1      LEU  14  -4.319  -2.007   0.910
  114    HG   LEU  14           HG       LEU  14  -1.729  -3.486   0.468
  115   HD11  LEU  14          HD11      LEU  14  -3.355  -3.813  -1.271
  116   HD12  LEU  14          HD12      LEU  14  -2.035  -2.793  -1.840
  117   HD13  LEU  14          HD13      LEU  14  -3.587  -2.070  -1.413
  118   HD21  LEU  14          HD21      LEU  14  -1.241  -1.299   1.380
  119   HD22  LEU  14          HD22      LEU  14  -2.307  -0.538   0.197
  120   HD23  LEU  14          HD23      LEU  14  -0.830  -1.345  -0.334
  121    H    VAL  15           HN       VAL  15  -4.638  -4.647   3.029
  122    HA   VAL  15           HA       VAL  15  -7.113  -3.489   3.752
  123    HB   VAL  15           HB       VAL  15  -6.849  -5.724   2.541
  124   HG11  VAL  15          HG11      VAL  15  -5.184  -6.756   3.880
  125   HG12  VAL  15          HG12      VAL  15  -6.639  -7.752   3.836
  126   HG13  VAL  15          HG13      VAL  15  -6.270  -6.790   5.269
  127   HG21  VAL  15          HG21      VAL  15  -9.023  -5.015   3.361
  128   HG22  VAL  15          HG22      VAL  15  -8.667  -5.697   4.949
  129   HG23  VAL  15          HG23      VAL  15  -8.832  -6.756   3.547
  130    H    GLU  16           HN       GLU  16  -4.424  -4.408   5.662
  131    HA   GLU  16           HA       GLU  16  -5.940  -4.499   8.074
  132    HB2  GLU  16           HB2      GLU  16  -2.963  -4.272   7.616
  133    HB3  GLU  16           HB1      GLU  16  -3.675  -4.256   9.222
  134    HG2  GLU  16           HG2      GLU  16  -4.644  -6.484   8.776
  135    HG3  GLU  16           HG1      GLU  16  -3.829  -6.499   7.213
  136    H    SER  17           HN       SER  17  -4.368  -1.974   6.252
  137    HA   SER  17           HA       SER  17  -4.749  -0.103   8.402
  138    HB2  SER  17           HB2      SER  17  -3.972   0.635   5.539
  139    HB3  SER  17           HB1      SER  17  -3.755   1.542   7.010
  140    HG   SER  17           HG       SER  17  -2.342  -0.718   6.168
  141    H    ALA  18           HN       ALA  18  -6.053  -0.324   5.051
  142    HA   ALA  18           HA       ALA  18  -8.318   1.250   5.892
  143    HB1  ALA  18           HB1      ALA  18  -7.473   1.508   3.589
  144    HB2  ALA  18           HB2      ALA  18  -9.137   0.892   3.625
  145    HB3  ALA  18           HB3      ALA  18  -7.801  -0.213   3.315
  146    H    GLY  19           HN       GLY  19  -9.450   0.180   7.312
  147    HA2  GLY  19           HA2      GLY  19  -9.636  -2.669   7.074
  148    HA3  GLY  19           HA1      GLY  19 -10.222  -1.726   8.453
  149    H    GLU  20           HN       GLU  20 -11.587   0.016   6.393
  150    HA   GLU  20           HA       GLU  20 -14.000  -1.567   6.333
  151    HB2  GLU  20           HB2      GLU  20 -13.546   1.302   5.474
  152    HB3  GLU  20           HB1      GLU  20 -15.105   0.499   5.543
  153    HG2  GLU  20           HG2      GLU  20 -13.297   1.065   7.884
  154    HG3  GLU  20           HG1      GLU  20 -14.770   1.938   7.474
  155    H    THR  21           HN       THR  21 -14.175  -2.943   4.818
  156    HA   THR  21           HA       THR  21 -13.435  -2.266   2.056
  157    HB   THR  21           HB       THR  21 -13.262  -4.989   3.389
  158    HG1  THR  21           HG1      THR  21 -11.494  -2.837   3.262
  159   HG21  THR  21          HG21      THR  21 -12.148  -3.934   0.780
  160   HG22  THR  21          HG22      THR  21 -13.535  -5.010   0.938
  161   HG23  THR  21          HG23      THR  21 -11.928  -5.566   1.410
  162    H    ASP  22           HN       ASP  22 -15.461  -1.744   1.432
  163    HA   ASP  22           HA       ASP  22 -17.885  -2.655   2.444
  164    HB2  ASP  22           HB2      ASP  22 -17.719  -0.585   1.180
  165    HB3  ASP  22           HB1      ASP  22 -17.354  -1.486  -0.289
  166    H    GLY  23           HN       GLY  23 -16.618  -3.543  -0.751
  167    HA2  GLY  23           HA2      GLY  23 -18.400  -5.903  -0.577
  168    HA3  GLY  23           HA1      GLY  23 -18.090  -5.036  -2.076
  169    H    THR  24           HN       THR  24 -15.806  -5.890   0.397
  170    HA   THR  24           HA       THR  24 -13.884  -7.108   0.404
  171    HB   THR  24           HB       THR  24 -15.054  -8.825  -1.824
  172    HG1  THR  24           HG1      THR  24 -15.695  -8.901   0.976
  173   HG21  THR  24          HG21      THR  24 -13.388  -9.510   0.613
  174   HG22  THR  24          HG22      THR  24 -12.777  -9.379  -1.036
  175   HG23  THR  24          HG23      THR  24 -13.926 -10.652  -0.621
  176    H    ASP  25           HN       ASP  25 -14.294  -4.858  -1.349
  177    HA   ASP  25           HA       ASP  25 -13.118  -5.081  -3.866
  178    HB2  ASP  25           HB2      ASP  25 -12.730  -2.528  -3.462
  179    HB3  ASP  25           HB1      ASP  25 -14.366  -3.163  -3.593
  180    H    LEU  26           HN       LEU  26 -11.618  -3.787  -0.918
  181    HA   LEU  26           HA       LEU  26  -9.009  -3.760  -2.050
  182    HB2  LEU  26           HB2      LEU  26  -9.717  -2.246  -0.271
  183    HB3  LEU  26           HB1      LEU  26  -9.923  -3.593   0.821
  184    HG   LEU  26           HG       LEU  26  -7.502  -3.960   0.848
  185   HD11  LEU  26          HD11      LEU  26  -6.968  -3.205  -1.409
  186   HD12  LEU  26          HD12      LEU  26  -5.989  -2.365  -0.205
  187   HD13  LEU  26          HD13      LEU  26  -7.362  -1.547  -0.952
  188   HD21  LEU  26          HD21      LEU  26  -6.886  -1.937   2.033
  189   HD22  LEU  26          HD22      LEU  26  -8.523  -2.448   2.457
  190   HD23  LEU  26          HD23      LEU  26  -8.277  -1.104   1.343
  191    H    SER  27           HN       SER  27 -10.684  -6.424  -1.508
  192    HA   SER  27           HA       SER  27  -8.369  -7.931  -0.564
  193    HB2  SER  27           HB2      SER  27 -11.294  -8.587  -0.226
  194    HB3  SER  27           HB1      SER  27  -9.947  -9.583   0.334
  195    HG   SER  27           HG       SER  27  -9.851  -6.959   1.110
  196    H    GLY  28           HN       GLY  28  -8.044  -9.948  -1.616
  197    HA2  GLY  28           HA2      GLY  28  -8.094 -11.401  -3.445
  198    HA3  GLY  28           HA1      GLY  28  -9.529 -10.559  -4.026
  199    H    ASP  29           HN       ASP  29  -9.221  -9.610  -5.913
  200    HA   ASP  29           HA       ASP  29  -6.546  -9.000  -6.852
  201    HB2  ASP  29           HB2      ASP  29  -9.239  -8.561  -8.175
  202    HB3  ASP  29           HB1      ASP  29  -7.693  -8.211  -8.927
  203    H    PHE  30           HN       PHE  30  -5.599  -7.159  -6.641
  204    HA   PHE  30           HA       PHE  30  -7.152  -4.709  -6.101
  205    HB2  PHE  30           HB2      PHE  30  -5.950  -4.235  -4.048
  206    HB3  PHE  30           HB1      PHE  30  -6.675  -5.833  -3.905
  207    HD1  PHE  30           HD1      PHE  30  -5.158  -7.860  -4.392
  208    HD2  PHE  30           HD2      PHE  30  -3.665  -3.946  -3.712
  209    HE1  PHE  30           HE1      PHE  30  -2.938  -8.788  -3.945
  210    HE2  PHE  30           HE2      PHE  30  -1.442  -4.872  -3.260
  211    HZ   PHE  30           HZ       PHE  30  -1.075  -7.290  -3.380
  212    H    LEU  31           HN       LEU  31  -4.199  -6.329  -7.055
  213    HA   LEU  31           HA       LEU  31  -2.257  -4.433  -6.802
  214    HB2  LEU  31           HB2      LEU  31  -1.964  -6.818  -7.358
  215    HB3  LEU  31           HB1      LEU  31  -2.463  -6.467  -9.000
  216    HG   LEU  31           HG       LEU  31  -0.564  -4.851  -9.099
  217   HD11  LEU  31          HD11      LEU  31   0.281  -6.316  -6.602
  218   HD12  LEU  31          HD12      LEU  31  -0.126  -4.606  -6.737
  219   HD13  LEU  31          HD13      LEU  31   1.313  -5.235  -7.539
  220   HD21  LEU  31          HD21      LEU  31  -0.483  -6.979 -10.234
  221   HD22  LEU  31          HD22      LEU  31   0.073  -7.783  -8.760
  222   HD23  LEU  31          HD23      LEU  31   1.106  -6.600  -9.573
  223    H    ASP  32           HN       ASP  32  -4.416  -4.863  -9.564
  224    HA   ASP  32           HA       ASP  32  -3.102  -2.599 -10.921
  225    HB2  ASP  32           HB2      ASP  32  -3.516  -4.904 -12.000
  226    HB3  ASP  32           HB1      ASP  32  -5.196  -4.401 -12.113
  227    H    LEU  33           HN       LEU  33  -5.450  -2.878  -8.771
  228    HA   LEU  33           HA       LEU  33  -7.461  -1.296 -10.130
  229    HB2  LEU  33           HB2      LEU  33  -7.423  -2.588  -7.402
  230    HB3  LEU  33           HB1      LEU  33  -8.684  -1.482  -7.890
  231    HG   LEU  33           HG       LEU  33  -9.514  -3.703  -8.105
  232   HD11  LEU  33          HD11      LEU  33 -10.258  -2.197  -9.809
  233   HD12  LEU  33          HD12      LEU  33 -10.117  -3.829 -10.463
  234   HD13  LEU  33          HD13      LEU  33  -8.882  -2.621 -10.827
  235   HD21  LEU  33          HD21      LEU  33  -7.425  -4.951  -8.251
  236   HD22  LEU  33          HD22      LEU  33  -7.146  -4.327  -9.878
  237   HD23  LEU  33          HD23      LEU  33  -8.510  -5.406  -9.565
  238    H    ARG  34           HN       ARG  34  -8.315   0.627  -9.088
  239    HA   ARG  34           HA       ARG  34  -6.163   2.465  -8.482
  240    HB2  ARG  34           HB2      ARG  34  -9.158   2.914  -8.409
  241    HB3  ARG  34           HB1      ARG  34  -7.912   4.144  -8.483
  242    HG2  ARG  34           HG2      ARG  34  -8.433   2.130 -10.662
  243    HG3  ARG  34           HG1      ARG  34  -9.106   3.758 -10.624
  244    HD2  ARG  34           HD2      ARG  34  -6.182   3.061 -10.659
  245    HD3  ARG  34           HD1      ARG  34  -7.126   3.601 -12.050
  246    HE   ARG  34           HE       ARG  34  -7.394   5.481  -9.971
  247   HH11  ARG  34          HH11      ARG  34  -5.054   4.401 -12.394
  248   HH12  ARG  34          HH12      ARG  34  -4.107   5.811 -12.293
  249   HH21  ARG  34          HH21      ARG  34  -6.237   7.360  -9.870
  250   HH22  ARG  34          HH22      ARG  34  -4.794   7.588 -10.739
  251    H    PHE  35           HN       PHE  35  -5.488   2.938  -6.378
  252    HA   PHE  35           HA       PHE  35  -6.478   1.848  -4.017
  253    HB2  PHE  35           HB2      PHE  35  -5.107   4.500  -4.468
  254    HB3  PHE  35           HB1      PHE  35  -5.614   4.001  -2.865
  255    HD1  PHE  35           HD1      PHE  35  -4.762   1.550  -2.223
  256    HD2  PHE  35           HD2      PHE  35  -2.942   4.135  -5.065
  257    HE1  PHE  35           HE1      PHE  35  -2.614   0.413  -1.870
  258    HE2  PHE  35           HE2      PHE  35  -0.791   2.997  -4.730
  259    HZ   PHE  35           HZ       PHE  35  -0.620   1.136  -3.126
  260    H    GLU  36           HN       GLU  36  -7.461   4.638  -5.691
  261    HA   GLU  36           HA       GLU  36  -9.094   6.080  -4.040
  262    HB2  GLU  36           HB2      GLU  36  -9.564   5.495  -6.953
  263    HB3  GLU  36           HB1      GLU  36 -10.118   6.905  -6.062
  264    HG2  GLU  36           HG2      GLU  36  -7.906   7.743  -5.840
  265    HG3  GLU  36           HG1      GLU  36  -7.197   6.244  -6.429
  266    H    ASP  37           HN       ASP  37  -9.936   3.149  -5.903
  267    HA   ASP  37           HA       ASP  37 -12.711   3.384  -5.048
  268    HB2  ASP  37           HB2      ASP  37 -12.266   2.789  -7.401
  269    HB3  ASP  37           HB1      ASP  37 -11.464   1.315  -6.871
  270    H    ILE  38           HN       ILE  38  -9.878   1.634  -4.190
  271    HA   ILE  38           HA       ILE  38 -11.467  -0.440  -2.922
  272    HB   ILE  38           HB       ILE  38  -9.284  -1.611  -2.506
  273   HG12  ILE  38          HG12      ILE  38  -8.181   0.611  -4.261
  274   HG13  ILE  38          HG11      ILE  38  -7.784   0.336  -2.568
  275   HG21  ILE  38          HG21      ILE  38  -9.005  -2.316  -4.840
  276   HG22  ILE  38          HG22      ILE  38  -9.978  -0.939  -5.359
  277   HG23  ILE  38          HG23      ILE  38 -10.702  -2.202  -4.365
  278   HD11  ILE  38          HD11      ILE  38  -7.134  -1.507  -4.867
  279   HD12  ILE  38          HD12      ILE  38  -6.725  -1.786  -3.174
  280   HD13  ILE  38          HD13      ILE  38  -6.006  -0.431  -4.043
  281    H    GLY  39           HN       GLY  39 -11.908   1.784  -1.678
  282    HA2  GLY  39           HA2      GLY  39 -12.351   2.230   0.569
  283    HA3  GLY  39           HA1      GLY  39 -11.149   1.035   1.006
  284    H    TYR  40           HN       TYR  40  -9.729   3.177  -1.118
  285    HA   TYR  40           HA       TYR  40  -8.512   4.467   1.176
  286    HB2  TYR  40           HB2      TYR  40  -7.525   4.072  -1.614
  287    HB3  TYR  40           HB1      TYR  40  -6.797   5.274  -0.561
  288    HD1  TYR  40           HD1      TYR  40  -7.617   1.700  -0.830
  289    HD2  TYR  40           HD2      TYR  40  -5.129   4.609   0.997
  290    HE1  TYR  40           HE1      TYR  40  -6.237  -0.087   0.110
  291    HE2  TYR  40           HE2      TYR  40  -3.735   2.811   1.950
  292    HH   TYR  40           HH       TYR  40  -4.101  -0.482   0.955
  293    H    ASP  41           HN       ASP  41  -8.903   6.339   1.765
  294    HA   ASP  41           HA       ASP  41 -10.093   8.383   0.086
  295    HB2  ASP  41           HB2      ASP  41 -10.877   8.431   2.322
  296    HB3  ASP  41           HB1      ASP  41  -9.279   8.141   2.972
  297    H    SER  42           HN       SER  42  -7.375   8.420   2.219
  298    HA   SER  42           HA       SER  42  -5.227   8.518   0.533
  299    HB2  SER  42           HB2      SER  42  -4.573  10.904   0.467
  300    HB3  SER  42           HB1      SER  42  -6.127  10.655  -0.342
  301    H    LEU  43           HN       LEU  43  -6.731   9.733   3.441
  302    HA   LEU  43           HA       LEU  43  -4.472   9.901   5.075
  303    HB2  LEU  43           HB2      LEU  43  -6.854  10.607   5.599
  304    HB3  LEU  43           HB1      LEU  43  -7.207   8.926   5.913
  305    HG   LEU  43           HG       LEU  43  -5.083  10.404   7.465
  306   HD11  LEU  43          HD11      LEU  43  -7.119  11.650   7.625
  307   HD12  LEU  43          HD12      LEU  43  -6.775  10.836   9.158
  308   HD13  LEU  43          HD13      LEU  43  -8.019  10.199   8.068
  309   HD21  LEU  43          HD21      LEU  43  -5.101   7.949   7.663
  310   HD22  LEU  43          HD22      LEU  43  -6.798   8.003   8.129
  311   HD23  LEU  43          HD23      LEU  43  -5.573   8.720   9.178
  312    H    ALA  44           HN       ALA  44  -6.555   7.161   4.274
  313    HA   ALA  44           HA       ALA  44  -5.214   5.182   5.724
  314    HB1  ALA  44           HB1      ALA  44  -6.315   3.578   4.254
  315    HB2  ALA  44           HB2      ALA  44  -6.699   4.866   3.111
  316    HB3  ALA  44           HB3      ALA  44  -7.437   4.862   4.710
  317    H    LEU  45           HN       LEU  45  -4.479   6.684   2.671
  318    HA   LEU  45           HA       LEU  45  -2.706   4.660   1.736
  319    HB2  LEU  45           HB2      LEU  45  -3.790   6.290   0.224
  320    HB3  LEU  45           HB1      LEU  45  -2.866   7.579   0.963
  321    HG   LEU  45           HG       LEU  45  -0.785   6.543   0.116
  322   HD11  LEU  45          HD11      LEU  45  -2.657   4.642  -1.292
  323   HD12  LEU  45          HD12      LEU  45  -1.534   4.231   0.003
  324   HD13  LEU  45          HD13      LEU  45  -0.918   4.771  -1.560
  325   HD21  LEU  45          HD21      LEU  45  -1.890   8.307  -1.157
  326   HD22  LEU  45          HD22      LEU  45  -2.876   7.103  -1.988
  327   HD23  LEU  45          HD23      LEU  45  -1.128   7.137  -2.234
  328    H    MET  46           HN       MET  46  -2.273   7.759   3.396
  329    HA   MET  46           HA       MET  46   0.538   7.490   3.551
  330    HB2  MET  46           HB2      MET  46   0.556   9.374   5.064
  331    HB3  MET  46           HB1      MET  46  -0.626   9.694   3.819
  332    HG2  MET  46           HG2      MET  46  -2.425   9.199   5.346
  333    HG3  MET  46           HG1      MET  46  -1.274   8.703   6.584
  334    HE1  MET  46           HE1      MET  46  -2.732  12.051   8.035
  335    HE2  MET  46           HE2      MET  46  -2.424  10.346   8.353
  336    HE3  MET  46           HE3      MET  46  -3.596  10.814   7.121
  337    H    GLU  47           HN       GLU  47  -2.137   6.411   5.665
  338    HA   GLU  47           HA       GLU  47  -0.679   5.790   7.899
  339    HB2  GLU  47           HB2      GLU  47  -3.016   6.112   8.011
  340    HB3  GLU  47           HB1      GLU  47  -3.284   5.038   6.667
  341    HG2  GLU  47           HG2      GLU  47  -2.811   3.299   7.771
  342    HG3  GLU  47           HG1      GLU  47  -2.196   4.076   9.259
  343    H    THR  48           HN       THR  48  -1.646   3.949   5.050
  344    HA   THR  48           HA       THR  48  -0.638   1.443   5.795
  345    HB   THR  48           HB       THR  48  -0.839   2.646   3.009
  346    HG1  THR  48           HG1      THR  48  -2.847   2.671   4.095
  347   HG21  THR  48          HG21      THR  48  -1.010   0.340   2.256
  348   HG22  THR  48          HG22      THR  48  -0.823  -0.239   3.912
  349   HG23  THR  48          HG23      THR  48   0.515   0.590   3.106
  350    H    ALA  49           HN       ALA  49   0.803   4.056   3.840
  351    HA   ALA  49           HA       ALA  49   3.279   2.923   3.340
  352    HB1  ALA  49           HB1      ALA  49   2.421   4.902   2.206
  353    HB2  ALA  49           HB2      ALA  49   4.031   5.182   2.871
  354    HB3  ALA  49           HB3      ALA  49   2.610   5.836   3.690
  355    H    ALA  50           HN       ALA  50   2.301   5.100   5.987
  356    HA   ALA  50           HA       ALA  50   4.728   5.399   7.275
  357    HB1  ALA  50           HB1      ALA  50   2.728   6.708   7.783
  358    HB2  ALA  50           HB2      ALA  50   3.439   6.011   9.239
  359    HB3  ALA  50           HB3      ALA  50   1.994   5.290   8.533
  360    H    ARG  51           HN       ARG  51   2.286   2.910   7.686
  361    HA   ARG  51           HA       ARG  51   3.489   1.559   9.855
  362    HB2  ARG  51           HB2      ARG  51   1.134   1.285   9.238
  363    HB3  ARG  51           HB1      ARG  51   1.609   0.551   7.714
  364    HG2  ARG  51           HG2      ARG  51   2.550  -1.340   8.905
  365    HG3  ARG  51           HG1      ARG  51   2.138  -0.582  10.448
  366    HD2  ARG  51           HD2      ARG  51  -0.229  -0.636   9.843
  367    HD3  ARG  51           HD1      ARG  51   0.189  -1.373   8.301
  368    HE   ARG  51           HE       ARG  51   1.280  -3.047  10.090
  369   HH11  ARG  51          HH11      ARG  51  -1.959  -1.635   9.967
  370   HH12  ARG  51          HH12      ARG  51  -2.763  -3.043  10.473
  371   HH21  ARG  51          HH21      ARG  51   0.164  -5.041  10.742
  372   HH22  ARG  51          HH22      ARG  51  -1.521  -5.078  10.779
  373    H    LEU  52           HN       LEU  52   3.734   1.215   6.367
  374    HA   LEU  52           HA       LEU  52   5.348  -1.097   6.376
  375    HB2  LEU  52           HB2      LEU  52   5.080   1.068   4.290
  376    HB3  LEU  52           HB1      LEU  52   5.898  -0.462   4.033
  377    HG   LEU  52           HG       LEU  52   2.965  -0.147   4.672
  378   HD11  LEU  52          HD11      LEU  52   3.487   0.674   2.450
  379   HD12  LEU  52          HD12      LEU  52   2.584  -0.838   2.374
  380   HD13  LEU  52          HD13      LEU  52   4.323  -0.833   2.075
  381   HD21  LEU  52          HD21      LEU  52   3.888  -2.238   5.510
  382   HD22  LEU  52          HD22      LEU  52   4.569  -2.587   3.920
  383   HD23  LEU  52          HD23      LEU  52   2.819  -2.527   4.138
  384    H    GLU  53           HN       GLU  53   6.109   2.343   6.362
  385    HA   GLU  53           HA       GLU  53   8.913   2.192   6.193
  386    HB2  GLU  53           HB2      GLU  53   7.268   4.148   7.801
  387    HB3  GLU  53           HB1      GLU  53   8.958   4.336   7.397
  388    HG2  GLU  53           HG2      GLU  53   8.325   4.439   5.014
  389    HG3  GLU  53           HG1      GLU  53   6.628   4.363   5.505
  390    H    SER  54           HN       SER  54   6.791   2.226   9.031
  391    HA   SER  54           HA       SER  54   8.804   2.089  10.956
  392    HB2  SER  54           HB2      SER  54   5.926   1.178  11.137
  393    HB3  SER  54           HB1      SER  54   6.997   1.472  12.509
  394    HG   SER  54           HG       SER  54   7.140   3.620  11.026
  395    H    ARG  55           HN       ARG  55   6.931  -0.498   9.403
  396    HA   ARG  55           HA       ARG  55   8.027  -2.569  10.975
  397    HB2  ARG  55           HB2      ARG  55   5.938  -2.866   9.716
  398    HB3  ARG  55           HB1      ARG  55   6.848  -2.786   8.206
  399    HG2  ARG  55           HG2      ARG  55   8.177  -4.760   9.018
  400    HG3  ARG  55           HG1      ARG  55   7.029  -4.893  10.345
  401    HD2  ARG  55           HD2      ARG  55   6.384  -5.050   7.412
  402    HD3  ARG  55           HD1      ARG  55   6.523  -6.415   8.511
  403    HE   ARG  55           HE       ARG  55   4.620  -4.773   9.605
  404   HH11  ARG  55          HH11      ARG  55   5.050  -6.429   6.476
  405   HH12  ARG  55          HH12      ARG  55   3.415  -6.757   6.262
  406   HH21  ARG  55          HH21      ARG  55   2.372  -5.177   9.282
  407   HH22  ARG  55          HH22      ARG  55   1.802  -5.991   7.884
  408    H    TYR  56           HN       TYR  56   8.840  -1.484   7.675
  409    HA   TYR  56           HA       TYR  56  10.868  -3.524   7.584
  410    HB2  TYR  56           HB2      TYR  56   9.975  -1.580   5.468
  411    HB3  TYR  56           HB1      TYR  56  11.166  -2.861   5.231
  412    HD1  TYR  56           HD2      TYR  56  10.319  -5.264   6.043
  413    HD2  TYR  56           HD1      TYR  56   7.803  -2.038   4.896
  414    HE1  TYR  56           HE2      TYR  56   8.526  -6.857   5.510
  415    HE2  TYR  56           HE1      TYR  56   6.009  -3.617   4.359
  416    HH   TYR  56           HH       TYR  56   5.991  -6.777   5.326
  417    H    GLY  57           HN       GLY  57  10.813  -0.218   8.376
  418    HA2  GLY  57           HA2      GLY  57  12.581   1.059   9.108
  419    HA3  GLY  57           HA1      GLY  57  13.669  -0.274   8.718
  420    H    VAL  58           HN       VAL  58  11.435   1.779   6.934
  421    HA   VAL  58           HA       VAL  58  13.597   2.545   5.152
  422    HB   VAL  58           HB       VAL  58  12.190   2.285   3.129
  423   HG11  VAL  58          HG11      VAL  58  12.145  -0.135   2.945
  424   HG12  VAL  58          HG12      VAL  58  12.281  -0.257   4.699
  425   HG13  VAL  58          HG13      VAL  58  13.625   0.408   3.759
  426   HG21  VAL  58          HG21      VAL  58  10.154   0.998   4.950
  427   HG22  VAL  58          HG22      VAL  58  10.070   1.062   3.192
  428   HG23  VAL  58          HG23      VAL  58   9.972   2.556   4.131
  429    H    SER  59           HN       SER  59  12.711   4.416   3.682
  430    HA   SER  59           HA       SER  59  10.840   6.037   5.236
  431    HB2  SER  59           HB2      SER  59  12.320   8.009   4.638
  432    HB3  SER  59           HB1      SER  59  13.000   6.894   5.826
  433    HG   SER  59           HG       SER  59  13.533   6.361   3.168
  434    H    ILE  60           HN       ILE  60   9.203   6.546   4.008
  435    HA   ILE  60           HA       ILE  60   9.521   6.346   1.115
  436    HB   ILE  60           HB       ILE  60   6.970   6.449   2.757
  437   HG12  ILE  60          HG12      ILE  60   8.313   4.112   1.368
  438   HG13  ILE  60          HG11      ILE  60   8.291   4.384   3.105
  439   HG21  ILE  60          HG21      ILE  60   5.872   5.782   0.655
  440   HG22  ILE  60          HG22      ILE  60   7.418   5.898  -0.186
  441   HG23  ILE  60          HG23      ILE  60   6.672   7.343   0.496
  442   HD11  ILE  60          HD11      ILE  60   6.670   2.703   2.443
  443   HD12  ILE  60          HD12      ILE  60   5.886   3.863   1.371
  444   HD13  ILE  60          HD13      ILE  60   5.869   4.121   3.116
  445    HA   PRO  61           HA       PRO  61   9.670  10.839   1.140
  446    HB2  PRO  61           HB2      PRO  61   9.537  10.355  -1.791
  447    HB3  PRO  61           HB1      PRO  61  10.711  11.297  -0.863
  448    HG2  PRO  61           HG2      PRO  61  11.378   8.933  -1.880
  449    HG3  PRO  61           HG1      PRO  61  11.947   9.430  -0.275
  450    HD2  PRO  61           HD2      PRO  61   9.728   7.557  -1.002
  451    HD3  PRO  61           HD1      PRO  61  10.946   7.413   0.284
  452    H    ASP  62           HN       ASP  62   8.179  12.361   0.841
  453    HA   ASP  62           HA       ASP  62   5.449  11.686   0.767
  454    HB2  ASP  62           HB2      ASP  62   6.714  14.400   0.364
  455    HB3  ASP  62           HB1      ASP  62   5.007  14.119   0.677
  456    H    ASP  63           HN       ASP  63   7.620  12.321  -1.758
  457    HA   ASP  63           HA       ASP  63   5.892  13.343  -3.781
  458    HB2  ASP  63           HB2      ASP  63   8.375  11.682  -4.216
  459    HB3  ASP  63           HB1      ASP  63   7.681  12.878  -5.293
  460    H    VAL  64           HN       VAL  64   6.380  10.249  -2.414
  461    HA   VAL  64           HA       VAL  64   5.904   8.697  -4.754
  462    HB   VAL  64           HB       VAL  64   5.882   7.877  -1.833
  463   HG11  VAL  64          HG11      VAL  64   6.121   5.573  -2.631
  464   HG12  VAL  64          HG12      VAL  64   5.935   6.130  -4.294
  465   HG13  VAL  64          HG13      VAL  64   4.596   6.289  -3.155
  466   HG21  VAL  64          HG21      VAL  64   8.098   6.967  -2.318
  467   HG22  VAL  64          HG22      VAL  64   8.033   8.707  -2.582
  468   HG23  VAL  64          HG23      VAL  64   7.999   7.604  -3.959
  469    H    ALA  65           HN       ALA  65   3.890  10.151  -2.358
  470    HA   ALA  65           HA       ALA  65   1.655   8.454  -2.531
  471    HB1  ALA  65           HB1      ALA  65   1.987  10.061  -0.726
  472    HB2  ALA  65           HB2      ALA  65   0.406  10.259  -1.483
  473    HB3  ALA  65           HB3      ALA  65   1.716  11.393  -1.853
  474    H    GLY  66           HN       GLY  66   2.748  11.032  -4.558
  475    HA2  GLY  66           HA2      GLY  66   0.257  10.898  -6.080
  476    HA3  GLY  66           HA1      GLY  66   1.452  12.183  -6.180
  477    H    ARG  67           HN       ARG  67   2.533   8.893  -6.166
  478    HA   ARG  67           HA       ARG  67   2.516   8.763  -9.067
  479    HB2  ARG  67           HB2      ARG  67   4.917   8.208  -9.212
  480    HB3  ARG  67           HB1      ARG  67   4.654   9.839  -8.621
  481    HG2  ARG  67           HG2      ARG  67   5.043   9.014  -6.330
  482    HG3  ARG  67           HG1      ARG  67   5.431   7.429  -7.004
  483    HD2  ARG  67           HD2      ARG  67   7.475   8.642  -6.589
  484    HD3  ARG  67           HD1      ARG  67   7.239   8.471  -8.327
  485    HE   ARG  67           HE       ARG  67   6.133  10.904  -7.533
  486   HH11  ARG  67          HH11      ARG  67   9.369   9.391  -7.855
  487   HH12  ARG  67          HH12      ARG  67  10.145  10.909  -7.999
  488   HH21  ARG  67          HH21      ARG  67   7.330  12.958  -7.716
  489   HH22  ARG  67          HH22      ARG  67   9.030  12.888  -7.912
  490    H    VAL  68           HN       VAL  68   1.262   7.406  -6.773
  491    HA   VAL  68           HA       VAL  68   1.603   4.764  -7.801
  492    HB   VAL  68           HB       VAL  68   1.616   3.651  -5.549
  493   HG11  VAL  68          HG11      VAL  68   3.713   3.837  -6.672
  494   HG12  VAL  68          HG12      VAL  68   3.951   4.016  -4.931
  495   HG13  VAL  68          HG13      VAL  68   3.986   5.435  -5.978
  496   HG21  VAL  68          HG21      VAL  68   2.159   6.393  -4.406
  497   HG22  VAL  68          HG22      VAL  68   2.324   4.861  -3.556
  498   HG23  VAL  68          HG23      VAL  68   0.724   5.392  -4.102
  499    H    ASP  69           HN       ASP  69  -0.255   4.864  -8.748
  500    HA   ASP  69           HA       ASP  69  -2.673   5.770  -7.358
  501    HB2  ASP  69           HB2      ASP  69  -2.216   4.885 -10.216
  502    HB3  ASP  69           HB1      ASP  69  -3.733   5.483  -9.576
  503    H    THR  70           HN       THR  70  -1.083   3.039  -8.709
  504    HA   THR  70           HA       THR  70  -3.222   1.273  -7.778
  505    HB   THR  70           HB       THR  70  -2.239  -0.411  -9.364
  506    HG1  THR  70           HG1      THR  70  -0.580   1.812 -10.031
  507   HG21  THR  70          HG21      THR  70  -4.172   0.929 -10.068
  508   HG22  THR  70          HG22      THR  70  -3.101   0.609 -11.435
  509   HG23  THR  70          HG23      THR  70  -3.088   2.192 -10.655
  510    HA   PRO  71           HA       PRO  71  -0.513  -0.282  -4.598
  511    HB2  PRO  71           HB2      PRO  71  -1.497  -2.958  -5.483
  512    HB3  PRO  71           HB1      PRO  71  -1.454  -2.259  -3.855
  513    HG2  PRO  71           HG2      PRO  71  -3.742  -2.389  -5.157
  514    HG3  PRO  71           HG1      PRO  71  -3.323  -0.923  -4.246
  515    HD2  PRO  71           HD2      PRO  71  -3.219  -1.418  -7.194
  516    HD3  PRO  71           HD1      PRO  71  -3.748   0.031  -6.314
  517    H    ARG  72           HN       ARG  72  -0.500  -1.700  -7.772
  518    HA   ARG  72           HA       ARG  72   1.702  -3.340  -7.935
  519    HB2  ARG  72           HB2      ARG  72   0.126  -2.698  -9.768
  520    HB3  ARG  72           HB1      ARG  72   0.986  -1.172  -9.905
  521    HG2  ARG  72           HG2      ARG  72   3.058  -2.769 -10.228
  522    HG3  ARG  72           HG1      ARG  72   1.801  -3.901 -10.739
  523    HD2  ARG  72           HD2      ARG  72   2.431  -1.191 -11.876
  524    HD3  ARG  72           HD1      ARG  72   2.586  -2.745 -12.680
  525    HE   ARG  72           HE       ARG  72   0.070  -2.848 -12.362
  526   HH11  ARG  72          HH11      ARG  72   1.854   0.202 -12.997
  527   HH12  ARG  72          HH12      ARG  72   0.512   0.964 -13.733
  528   HH21  ARG  72          HH21      ARG  72  -1.744  -1.714 -13.454
  529   HH22  ARG  72          HH22      ARG  72  -1.503  -0.093 -13.961
  530    H    GLU  73           HN       GLU  73   1.579   0.144  -8.276
  531    HA   GLU  73           HA       GLU  73   4.316   0.627  -8.771
  532    HB2  GLU  73           HB2      GLU  73   2.173   2.490  -7.770
  533    HB3  GLU  73           HB1      GLU  73   3.677   2.947  -8.562
  534    HG2  GLU  73           HG2      GLU  73   2.987   1.956 -10.613
  535    HG3  GLU  73           HG1      GLU  73   1.569   1.246  -9.850
  536    H    LEU  74           HN       LEU  74   2.306   0.752  -5.894
  537    HA   LEU  74           HA       LEU  74   4.245   1.913  -4.176
  538    HB2  LEU  74           HB2      LEU  74   1.739   1.929  -3.818
  539    HB3  LEU  74           HB1      LEU  74   1.824   0.233  -3.437
  540    HG   LEU  74           HG       LEU  74   1.556   1.772  -1.455
  541   HD11  LEU  74          HD11      LEU  74   4.029   0.077  -1.415
  542   HD12  LEU  74          HD12      LEU  74   2.380  -0.467  -1.108
  543   HD13  LEU  74          HD13      LEU  74   3.152   0.674  -0.005
  544   HD21  LEU  74          HD21      LEU  74   2.968   3.596  -2.205
  545   HD22  LEU  74          HD22      LEU  74   4.390   2.556  -2.121
  546   HD23  LEU  74          HD23      LEU  74   3.522   2.984  -0.646
  547    H    LEU  75           HN       LEU  75   3.342  -1.362  -4.990
  548    HA   LEU  75           HA       LEU  75   4.783  -2.863  -3.169
  549    HB2  LEU  75           HB2      LEU  75   3.179  -3.731  -4.847
  550    HB3  LEU  75           HB1      LEU  75   4.362  -3.431  -6.101
  551    HG   LEU  75           HG       LEU  75   5.864  -5.087  -5.013
  552   HD11  LEU  75          HD11      LEU  75   3.454  -5.611  -3.287
  553   HD12  LEU  75          HD12      LEU  75   4.990  -4.926  -2.761
  554   HD13  LEU  75          HD13      LEU  75   4.920  -6.590  -3.342
  555   HD21  LEU  75          HD21      LEU  75   4.436  -5.718  -6.890
  556   HD22  LEU  75          HD22      LEU  75   3.124  -6.095  -5.773
  557   HD23  LEU  75          HD23      LEU  75   4.606  -7.050  -5.746
  558    H    ASP  76           HN       ASP  76   5.817  -1.689  -6.361
  559    HA   ASP  76           HA       ASP  76   8.464  -2.601  -6.263
  560    HB2  ASP  76           HB2      ASP  76   7.397  -0.192  -7.731
  561    HB3  ASP  76           HB1      ASP  76   9.014  -0.847  -7.942
  562    H    LEU  77           HN       LEU  77   7.033   0.370  -5.011
  563    HA   LEU  77           HA       LEU  77   9.445   1.708  -4.522
  564    HB2  LEU  77           HB2      LEU  77   7.166   2.746  -4.576
  565    HB3  LEU  77           HB1      LEU  77   6.794   1.960  -3.068
  566    HG   LEU  77           HG       LEU  77   7.299   4.412  -2.929
  567   HD11  LEU  77          HD11      LEU  77   8.695   4.309  -0.929
  568   HD12  LEU  77          HD12      LEU  77   9.119   2.638  -1.315
  569   HD13  LEU  77          HD13      LEU  77   7.452   3.057  -0.924
  570   HD21  LEU  77          HD21      LEU  77   9.638   5.119  -3.013
  571   HD22  LEU  77          HD22      LEU  77   9.063   4.521  -4.569
  572   HD23  LEU  77          HD23      LEU  77  10.096   3.507  -3.561
  573    H    ILE  78           HN       ILE  78   7.481  -0.419  -2.512
  574    HA   ILE  78           HA       ILE  78   9.122  -0.241  -0.204
  575    HB   ILE  78           HB       ILE  78   7.219  -2.451  -1.042
  576   HG12  ILE  78          HG12      ILE  78   6.086  -0.307  -0.825
  577   HG13  ILE  78          HG11      ILE  78   5.635  -1.362   0.508
  578   HG21  ILE  78          HG21      ILE  78   8.423  -1.888   1.672
  579   HG22  ILE  78          HG22      ILE  78   8.789  -3.267   0.639
  580   HG23  ILE  78          HG23      ILE  78   7.176  -3.089   1.335
  581   HD11  ILE  78          HD11      ILE  78   7.191  -0.160   1.973
  582   HD12  ILE  78          HD12      ILE  78   5.988   0.918   1.271
  583   HD13  ILE  78          HD13      ILE  78   7.631   0.893   0.630
  584    H    ASN  79           HN       ASN  79   8.903  -2.651  -2.795
  585    HA   ASN  79           HA       ASN  79  10.916  -4.337  -1.802
  586    HB2  ASN  79           HB2      ASN  79   9.731  -4.033  -4.546
  587    HB3  ASN  79           HB1      ASN  79  11.030  -5.181  -4.226
  588   HD21  ASN  79          HD21      ASN  79   8.226  -5.633  -4.998
  589   HD22  ASN  79          HD22      ASN  79   7.576  -6.658  -3.761
  590    H    GLY  80           HN       GLY  80  11.144  -1.556  -3.931
  591    HA2  GLY  80           HA2      GLY  80  13.882  -1.908  -4.563
  592    HA3  GLY  80           HA1      GLY  80  12.953  -0.420  -4.714
  593    H    ALA  81           HN       ALA  81  12.154  -0.168  -2.027
  594    HA   ALA  81           HA       ALA  81  14.456   1.063  -0.926
  595    HB1  ALA  81           HB1      ALA  81  13.018   1.600   0.982
  596    HB2  ALA  81           HB2      ALA  81  11.794   0.482   0.382
  597    HB3  ALA  81           HB3      ALA  81  12.192   1.931  -0.541
  598    H    LEU  82           HN       LEU  82  12.757  -1.949  -0.293
  599    HA   LEU  82           HA       LEU  82  14.209  -2.803   1.943
  600    HB2  LEU  82           HB2      LEU  82  12.916  -4.396  -0.269
  601    HB3  LEU  82           HB1      LEU  82  13.616  -5.130   1.157
  602    HG   LEU  82           HG       LEU  82  11.308  -3.179   1.183
  603   HD11  LEU  82          HD11      LEU  82  10.698  -5.315   0.146
  604   HD12  LEU  82          HD12      LEU  82   9.946  -5.134   1.729
  605   HD13  LEU  82          HD13      LEU  82  11.352  -6.180   1.537
  606   HD21  LEU  82          HD21      LEU  82  11.091  -3.871   3.515
  607   HD22  LEU  82          HD22      LEU  82  12.663  -3.127   3.211
  608   HD23  LEU  82          HD23      LEU  82  12.529  -4.880   3.351
  609    H    ALA  83           HN       ALA  83  14.878  -3.140  -1.497
  610    HA   ALA  83           HA       ALA  83  17.155  -4.790  -1.294
  611    HB1  ALA  83           HB1      ALA  83  15.892  -4.487  -3.370
  612    HB2  ALA  83           HB2      ALA  83  17.606  -4.146  -3.598
  613    HB3  ALA  83           HB3      ALA  83  16.451  -2.817  -3.463
  614    H    GLU  84           HN       GLU  84  16.721  -1.477  -0.690
  615    HA   GLU  84           HA       GLU  84  19.448  -0.646  -1.039
  616    HB2  GLU  84           HB2      GLU  84  17.568   0.905  -1.237
  617    HB3  GLU  84           HB1      GLU  84  17.138   0.616   0.440
  618    HG2  GLU  84           HG2      GLU  84  19.321   1.564   1.103
  619    HG3  GLU  84           HG1      GLU  84  19.622   1.951  -0.592
  620    H    ALA  85           HN       ALA  85  17.461  -1.919   1.508
  621    HA   ALA  85           HA       ALA  85  19.435  -1.396   3.565
  622    HB1  ALA  85           HB1      ALA  85  17.056  -1.124   4.105
  623    HB2  ALA  85           HB2      ALA  85  17.790  -2.392   5.085
  624    HB3  ALA  85           HB3      ALA  85  16.771  -2.820   3.711
  625    H    ALA  86           HN       ALA  86  17.719  -4.222   2.244
  626    HA   ALA  86           HA       ALA  86  20.064  -5.784   2.047
  627    HB1  ALA  86           HB1      ALA  86  19.378  -7.549   3.622
  628    HB2  ALA  86           HB2      ALA  86  18.030  -6.545   4.162
  629    HB3  ALA  86           HB3      ALA  86  19.689  -6.031   4.469
  630    H28  SXH  87          H28B      SXH  87  -3.865  11.983   2.706
  631   H28A  SXH  87          H28A      SXH  87  -3.652  13.718   2.938
  632    H30  SXH  87          H30C      SXH  87  -1.663  11.734   3.696
  633   H30A  SXH  87          H30A      SXH  87  -1.450  13.481   3.787
  634   H30B  SXH  87          H30B      SXH  87  -0.239  12.484   2.975
  635    H31  SXH  87          H31A      SXH  87  -2.433  11.580   0.116
  636   H31A  SXH  87          H31C      SXH  87  -0.800  11.396   0.760
  637   H31B  SXH  87          H31B      SXH  87  -2.161  10.624   1.574
  638    H32  SXH  87          H32A      SXH  87  -1.774  14.928   1.639
  639   HO33  SXH  87          H33A      SXH  87  -3.107  13.806   0.013
  640   HN36  SXH  87          H36A      SXH  87   0.304  14.976   2.473
  641    H37  SXH  87          H37A      SXH  87   2.628  13.589   1.682
  642   H37A  SXH  87          H37B      SXH  87   2.494  15.041   0.719
  643    H38  SXH  87          H38A      SXH  87   3.884  15.520   2.583
  644   H38A  SXH  87          H38B      SXH  87   2.389  16.448   2.734
  645   HN41  SXH  87          H41A      SXH  87   2.586  13.081   3.474
  646    H42  SXH  87          H42A      SXH  87   3.336  13.056   6.118
  647   H42A  SXH  87          H42B      SXH  87   1.565  13.180   6.072
  648    H43  SXH  87          H43A      SXH  87   1.449  11.145   4.788
  649   H43A  SXH  87          H43B      SXH  87   2.545  10.799   6.151
  650    H2   SXH  87           H2A      SXH  87   3.710   7.573   2.764
  651    H2A  SXH  87           H2B      SXH  87   5.027   8.750   2.798
  652    H3   SXH  87           H3A      SXH  87   3.749  10.258   1.395
  653    H3A  SXH  87           H3B      SXH  87   2.359   9.175   1.451
  654    H4   SXH  87           H4B      SXH  87   3.642   9.004  -0.659
  655    H4A  SXH  87           H4A      SXH  87   5.038   8.463   0.269
  656    H5   SXH  87           H5A      SXH  87   3.723   6.507   1.054
  657    H5A  SXH  87           H5B      SXH  87   3.874   6.550  -0.710
  658    H6   SXH  87           H6C      SXH  87   1.633   7.524  -0.867
  659    H6A  SXH  87           H6A      SXH  87   1.490   7.487   0.890
  660    H6B  SXH  87           H6B      SXH  87   1.593   5.979  -0.019
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  17.156 -14.541  -0.071
    2    H2   MET   1           HT2      MET   1  18.610 -13.685   0.039
    3    H3   MET   1           HT3      MET   1  18.036 -14.168  -1.482
    4    HA   MET   1           HA       MET   1  17.676 -11.826  -1.050
    5    HB2  MET   1           HB2      MET   1  15.248 -13.598  -1.151
    6    HB3  MET   1           HB1      MET   1  15.094 -11.849  -1.147
    7    HG2  MET   1           HG2      MET   1  16.594 -13.478  -3.180
    8    HG3  MET   1           HG1      MET   1  14.989 -12.774  -3.395
    9    HE1  MET   1           HE1      MET   1  15.718 -11.491  -5.588
   10    HE2  MET   1           HE2      MET   1  17.323 -12.213  -5.466
   11    HE3  MET   1           HE3      MET   1  17.155 -10.476  -5.700
   12    H    ALA   2           HN       ALA   2  16.503 -10.230   0.135
   13    HA   ALA   2           HA       ALA   2  16.425 -10.828   2.970
   14    HB1  ALA   2           HB1      ALA   2  16.186  -8.387   3.185
   15    HB2  ALA   2           HB2      ALA   2  16.135  -8.242   1.429
   16    HB3  ALA   2           HB3      ALA   2  17.602  -8.812   2.223
   17    H    THR   3           HN       THR   3  14.482  -9.614   4.075
   18    HA   THR   3           HA       THR   3  12.113 -10.779   3.047
   19    HB   THR   3           HB       THR   3  12.518  -8.753   5.215
   20    HG1  THR   3           HG1      THR   3  12.515 -11.587   5.105
   21   HG21  THR   3          HG21      THR   3  10.169  -8.924   4.488
   22   HG22  THR   3          HG22      THR   3  10.368  -9.617   6.097
   23   HG23  THR   3          HG23      THR   3  10.235 -10.674   4.692
   24    H    LEU   4           HN       LEU   4  11.397  -9.974   1.229
   25    HA   LEU   4           HA       LEU   4  11.150  -7.098   0.868
   26    HB2  LEU   4           HB2      LEU   4  10.750  -9.388  -1.069
   27    HB3  LEU   4           HB1      LEU   4  10.563  -7.692  -1.471
   28    HG   LEU   4           HG       LEU   4  13.141  -9.058  -0.678
   29   HD11  LEU   4          HD11      LEU   4  13.807  -8.616  -2.983
   30   HD12  LEU   4          HD12      LEU   4  12.206  -7.955  -3.317
   31   HD13  LEU   4          HD13      LEU   4  12.387  -9.661  -2.906
   32   HD21  LEU   4          HD21      LEU   4  12.634  -6.201  -1.520
   33   HD22  LEU   4          HD22      LEU   4  14.214  -6.933  -1.249
   34   HD23  LEU   4          HD23      LEU   4  13.091  -6.740   0.098
   35    H    LEU   5           HN       LEU   5   9.028  -6.523  -0.227
   36    HA   LEU   5           HA       LEU   5   6.912  -7.639   1.442
   37    HB2  LEU   5           HB2      LEU   5   7.591  -5.108   1.106
   38    HB3  LEU   5           HB1      LEU   5   6.750  -5.257  -0.414
   39    HG   LEU   5           HG       LEU   5   5.497  -5.637   2.313
   40   HD11  LEU   5          HD11      LEU   5   5.356  -3.333   0.388
   41   HD12  LEU   5          HD12      LEU   5   6.155  -3.339   1.962
   42   HD13  LEU   5          HD13      LEU   5   4.401  -3.501   1.860
   43   HD21  LEU   5          HD21      LEU   5   4.393  -6.883   0.534
   44   HD22  LEU   5          HD22      LEU   5   4.262  -5.390  -0.396
   45   HD23  LEU   5          HD23      LEU   5   3.401  -5.556   1.142
   46    H    THR   6           HN       THR   6   5.558  -9.146   0.434
   47    HA   THR   6           HA       THR   6   5.803  -9.290  -2.472
   48    HB   THR   6           HB       THR   6   4.974 -11.579  -2.373
   49    HG1  THR   6           HG1      THR   6   4.758 -11.205   0.452
   50   HG21  THR   6          HG21      THR   6   6.732 -12.639  -1.019
   51   HG22  THR   6          HG22      THR   6   7.025 -11.103  -0.203
   52   HG23  THR   6          HG23      THR   6   7.365 -11.265  -1.926
   53    H    THR   7           HN       THR   7   3.654 -10.327  -3.474
   54    HA   THR   7           HA       THR   7   1.683  -8.408  -3.516
   55    HB   THR   7           HB       THR   7   1.403 -11.372  -4.114
   56    HG1  THR   7           HG1      THR   7   1.951 -10.634  -6.269
   57   HG21  THR   7          HG21      THR   7  -0.078  -8.962  -5.210
   58   HG22  THR   7          HG22      THR   7  -0.741 -10.145  -4.083
   59   HG23  THR   7          HG23      THR   7  -0.311 -10.635  -5.724
   60    H    ASP   8           HN       ASP   8   1.613 -11.579  -1.856
   61    HA   ASP   8           HA       ASP   8  -0.859 -11.153  -0.586
   62    HB2  ASP   8           HB2      ASP   8   0.065 -13.393  -0.880
   63    HB3  ASP   8           HB1      ASP   8   1.358 -13.025   0.258
   64    H    ASP   9           HN       ASP   9   2.388 -10.275   0.463
   65    HA   ASP   9           HA       ASP   9   1.702  -9.651   3.160
   66    HB2  ASP   9           HB2      ASP   9   3.889  -8.498   1.415
   67    HB3  ASP   9           HB1      ASP   9   3.676  -8.053   3.102
   68    H    LEU  10           HN       LEU  10   1.817  -7.742   0.212
   69    HA   LEU  10           HA       LEU  10   0.992  -5.325   1.418
   70    HB2  LEU  10           HB2      LEU  10   2.125  -5.512  -0.823
   71    HB3  LEU  10           HB1      LEU  10   0.635  -6.156  -1.461
   72    HG   LEU  10           HG       LEU  10  -0.503  -4.031  -0.984
   73   HD11  LEU  10          HD11      LEU  10   0.797  -2.069  -0.312
   74   HD12  LEU  10          HD12      LEU  10   2.223  -3.088  -0.099
   75   HD13  LEU  10          HD13      LEU  10   0.814  -3.314   0.938
   76   HD21  LEU  10          HD21      LEU  10   2.054  -3.718  -2.547
   77   HD22  LEU  10          HD22      LEU  10   0.623  -2.696  -2.687
   78   HD23  LEU  10          HD23      LEU  10   0.547  -4.393  -3.161
   79    H    ARG  11           HN       ARG  11  -0.693  -7.929  -0.201
   80    HA   ARG  11           HA       ARG  11  -3.311  -7.059  -0.243
   81    HB2  ARG  11           HB2      ARG  11  -2.631  -9.204  -1.152
   82    HB3  ARG  11           HB1      ARG  11  -2.247  -9.794   0.454
   83    HG2  ARG  11           HG2      ARG  11  -4.628  -9.633   1.056
   84    HG3  ARG  11           HG1      ARG  11  -4.987  -9.114  -0.594
   85    HD2  ARG  11           HD2      ARG  11  -3.653 -11.706   0.153
   86    HD3  ARG  11           HD1      ARG  11  -5.366 -11.531  -0.222
   87    HE   ARG  11           HE       ARG  11  -4.490 -10.640  -2.446
   88   HH11  ARG  11          HH11      ARG  11  -2.683 -13.093  -0.590
   89   HH12  ARG  11          HH12      ARG  11  -2.204 -13.951  -1.958
   90   HH21  ARG  11          HH21      ARG  11  -3.755 -11.771  -4.312
   91   HH22  ARG  11          HH22      ARG  11  -2.789 -13.170  -4.163
   92    H    ARG  12           HN       ARG  12  -1.691  -8.800   2.358
   93    HA   ARG  12           HA       ARG  12  -3.742  -8.734   4.244
   94    HB2  ARG  12           HB2      ARG  12  -0.765  -8.750   4.678
   95    HB3  ARG  12           HB1      ARG  12  -1.951  -9.028   5.935
   96    HG2  ARG  12           HG2      ARG  12  -2.733 -11.014   4.687
   97    HG3  ARG  12           HG1      ARG  12  -1.420 -10.748   3.532
   98    HD2  ARG  12           HD2      ARG  12  -0.808 -12.390   5.251
   99    HD3  ARG  12           HD1      ARG  12   0.218 -10.951   5.318
  100    HE   ARG  12           HE       ARG  12  -2.089 -11.381   7.080
  101   HH11  ARG  12          HH11      ARG  12   1.307 -10.395   6.639
  102   HH12  ARG  12          HH12      ARG  12   1.497  -9.848   8.241
  103   HH21  ARG  12          HH21      ARG  12  -1.802 -10.587   9.303
  104   HH22  ARG  12          HH22      ARG  12  -0.311  -9.909   9.753
  105    H    ALA  13           HN       ALA  13  -1.006  -6.540   3.806
  106    HA   ALA  13           HA       ALA  13  -1.572  -4.893   6.001
  107    HB1  ALA  13           HB1      ALA  13  -0.006  -3.315   5.001
  108    HB2  ALA  13           HB2      ALA  13  -0.073  -4.198   3.477
  109    HB3  ALA  13           HB3      ALA  13   0.617  -4.961   4.909
  110    H    LEU  14           HN       LEU  14  -2.471  -4.625   2.589
  111    HA   LEU  14           HA       LEU  14  -3.758  -2.144   2.897
  112    HB2  LEU  14           HB2      LEU  14  -4.097  -4.259   0.788
  113    HB3  LEU  14           HB1      LEU  14  -4.891  -2.702   0.737
  114    HG   LEU  14           HG       LEU  14  -1.912  -3.186   0.623
  115   HD11  LEU  14          HD11      LEU  14  -2.124  -2.360  -1.656
  116   HD12  LEU  14          HD12      LEU  14  -3.874  -2.247  -1.455
  117   HD13  LEU  14          HD13      LEU  14  -3.079  -3.823  -1.407
  118   HD21  LEU  14          HD21      LEU  14  -2.435  -1.094   1.768
  119   HD22  LEU  14          HD22      LEU  14  -3.481  -0.617   0.430
  120   HD23  LEU  14          HD23      LEU  14  -1.744  -0.789   0.174
  121    H    VAL  15           HN       VAL  15  -5.046  -5.464   2.926
  122    HA   VAL  15           HA       VAL  15  -7.711  -4.537   3.102
  123    HB   VAL  15           HB       VAL  15  -7.056  -6.868   2.306
  124   HG11  VAL  15          HG11      VAL  15  -5.517  -7.508   4.015
  125   HG12  VAL  15          HG12      VAL  15  -6.847  -8.666   3.921
  126   HG13  VAL  15          HG13      VAL  15  -6.804  -7.481   5.225
  127   HG21  VAL  15          HG21      VAL  15  -9.044  -7.987   3.192
  128   HG22  VAL  15          HG22      VAL  15  -9.386  -6.322   2.714
  129   HG23  VAL  15          HG23      VAL  15  -9.196  -6.733   4.422
  130    H    GLU  16           HN       GLU  16  -5.307  -4.985   5.548
  131    HA   GLU  16           HA       GLU  16  -7.324  -4.808   7.626
  132    HB2  GLU  16           HB2      GLU  16  -5.572  -5.010   9.232
  133    HB3  GLU  16           HB1      GLU  16  -5.376  -6.245   7.991
  134    HG2  GLU  16           HG2      GLU  16  -3.655  -4.992   6.955
  135    HG3  GLU  16           HG1      GLU  16  -4.060  -3.661   8.069
  136    H    SER  17           HN       SER  17  -5.264  -2.625   5.933
  137    HA   SER  17           HA       SER  17  -5.648  -0.554   7.893
  138    HB2  SER  17           HB2      SER  17  -4.545  -0.348   5.070
  139    HB3  SER  17           HB1      SER  17  -4.370   0.850   6.355
  140    HG   SER  17           HG       SER  17  -3.131  -1.605   5.991
  141    H    ALA  18           HN       ALA  18  -7.211  -1.721   5.042
  142    HA   ALA  18           HA       ALA  18  -9.556  -0.209   5.623
  143    HB1  ALA  18           HB1      ALA  18  -9.784   0.777   3.408
  144    HB2  ALA  18           HB2      ALA  18  -8.214   0.117   2.962
  145    HB3  ALA  18           HB3      ALA  18  -8.315   1.386   4.193
  146    H    GLY  19           HN       GLY  19 -10.837  -1.856   5.702
  147    HA2  GLY  19           HA2      GLY  19 -11.516  -3.348   3.386
  148    HA3  GLY  19           HA1      GLY  19 -10.598  -4.336   4.531
  149    H    GLU  20           HN       GLU  20 -13.053  -1.903   4.595
  150    HA   GLU  20           HA       GLU  20 -14.190  -2.791   7.023
  151    HB2  GLU  20           HB2      GLU  20 -15.852  -1.072   6.612
  152    HB3  GLU  20           HB1      GLU  20 -14.227  -0.466   6.308
  153    HG2  GLU  20           HG2      GLU  20 -14.572  -0.771   3.903
  154    HG3  GLU  20           HG1      GLU  20 -16.200  -1.360   4.225
  155    H    THR  21           HN       THR  21 -16.564  -3.197   7.161
  156    HA   THR  21           HA       THR  21 -17.240  -5.478   5.579
  157    HB   THR  21           HB       THR  21 -19.246  -5.439   7.165
  158    HG1  THR  21           HG1      THR  21 -19.030  -3.215   7.686
  159   HG21  THR  21          HG21      THR  21 -17.283  -6.877   7.501
  160   HG22  THR  21          HG22      THR  21 -17.888  -6.268   9.041
  161   HG23  THR  21          HG23      THR  21 -16.450  -5.550   8.311
  162    H    ASP  22           HN       ASP  22 -17.231  -3.709   3.788
  163    HA   ASP  22           HA       ASP  22 -20.013  -3.076   3.165
  164    HB2  ASP  22           HB2      ASP  22 -18.764  -1.049   4.167
  165    HB3  ASP  22           HB1      ASP  22 -17.746  -1.094   2.736
  166    H    GLY  23           HN       GLY  23 -19.451  -1.962   0.606
  167    HA2  GLY  23           HA2      GLY  23 -18.703  -4.389  -0.752
  168    HA3  GLY  23           HA1      GLY  23 -19.317  -2.918  -1.481
  169    H    THR  24           HN       THR  24 -16.474  -3.757   0.414
  170    HA   THR  24           HA       THR  24 -14.759  -3.145  -1.776
  171    HB   THR  24           HB       THR  24 -15.009  -0.900  -0.962
  172    HG1  THR  24           HG1      THR  24 -12.568  -1.890   0.070
  173   HG21  THR  24          HG21      THR  24 -15.886  -1.323   1.278
  174   HG22  THR  24          HG22      THR  24 -14.513  -0.221   1.364
  175   HG23  THR  24          HG23      THR  24 -14.312  -1.918   1.803
  176    H    ASP  25           HN       ASP  25 -14.747  -5.454  -1.283
  177    HA   ASP  25           HA       ASP  25 -13.039  -6.290   0.929
  178    HB2  ASP  25           HB2      ASP  25 -13.498  -8.562   0.166
  179    HB3  ASP  25           HB1      ASP  25 -15.019  -7.681   0.266
  180    H    LEU  26           HN       LEU  26 -11.123  -7.729   0.297
  181    HA   LEU  26           HA       LEU  26  -9.963  -6.818  -2.241
  182    HB2  LEU  26           HB2      LEU  26  -9.517  -5.172  -0.345
  183    HB3  LEU  26           HB1      LEU  26  -8.485  -6.409   0.347
  184    HG   LEU  26           HG       LEU  26  -7.097  -6.335  -1.713
  185   HD11  LEU  26          HD11      LEU  26  -8.799  -5.534  -3.257
  186   HD12  LEU  26          HD12      LEU  26  -7.397  -4.467  -3.260
  187   HD13  LEU  26          HD13      LEU  26  -8.863  -3.990  -2.406
  188   HD21  LEU  26          HD21      LEU  26  -6.041  -4.186  -1.207
  189   HD22  LEU  26          HD22      LEU  26  -6.481  -5.047   0.267
  190   HD23  LEU  26          HD23      LEU  26  -7.471  -3.700  -0.298
  191    H    SER  27           HN       SER  27 -10.725  -9.405  -0.744
  192    HA   SER  27           HA       SER  27  -8.199 -10.716  -0.434
  193    HB2  SER  27           HB2      SER  27 -10.202 -11.219   0.995
  194    HB3  SER  27           HB1      SER  27 -10.955 -11.951  -0.419
  195    HG   SER  27           HG       SER  27  -8.901 -12.833   1.193
  196    H    GLY  28           HN       GLY  28  -7.242 -10.618  -2.392
  197    HA2  GLY  28           HA2      GLY  28  -7.290 -12.691  -4.129
  198    HA3  GLY  28           HA1      GLY  28  -8.468 -11.563  -4.807
  199    H    ASP  29           HN       ASP  29  -7.310 -10.851  -6.568
  200    HA   ASP  29           HA       ASP  29  -4.691  -9.713  -5.960
  201    HB2  ASP  29           HB2      ASP  29  -4.744 -11.093  -8.028
  202    HB3  ASP  29           HB1      ASP  29  -5.971 -10.023  -8.705
  203    H    PHE  30           HN       PHE  30  -4.235  -7.623  -6.524
  204    HA   PHE  30           HA       PHE  30  -6.556  -5.826  -6.445
  205    HB2  PHE  30           HB2      PHE  30  -5.699  -4.768  -4.373
  206    HB3  PHE  30           HB1      PHE  30  -6.232  -6.434  -4.149
  207    HD1  PHE  30           HD1      PHE  30  -4.548  -8.245  -3.902
  208    HD2  PHE  30           HD2      PHE  30  -3.441  -4.147  -4.009
  209    HE1  PHE  30           HE1      PHE  30  -2.345  -8.821  -3.018
  210    HE2  PHE  30           HE2      PHE  30  -1.239  -4.723  -3.120
  211    HZ   PHE  30           HZ       PHE  30  -0.686  -7.064  -2.631
  212    H    LEU  31           HN       LEU  31  -3.412  -6.470  -7.511
  213    HA   LEU  31           HA       LEU  31  -2.061  -4.112  -7.071
  214    HB2  LEU  31           HB2      LEU  31  -1.717  -6.081  -9.276
  215    HB3  LEU  31           HB1      LEU  31  -0.698  -4.675  -9.082
  216    HG   LEU  31           HG       LEU  31  -0.905  -7.097  -7.331
  217   HD11  LEU  31          HD11      LEU  31   1.286  -5.664  -8.783
  218   HD12  LEU  31          HD12      LEU  31   0.578  -7.221  -9.213
  219   HD13  LEU  31          HD13      LEU  31   1.546  -7.064  -7.737
  220   HD21  LEU  31          HD21      LEU  31   0.489  -4.493  -6.672
  221   HD22  LEU  31          HD22      LEU  31   0.613  -5.991  -5.752
  222   HD23  LEU  31          HD23      LEU  31  -0.927  -5.135  -5.842
  223    H    ASP  32           HN       ASP  32  -4.327  -4.784  -9.663
  224    HA   ASP  32           HA       ASP  32  -3.561  -2.195 -10.810
  225    HB2  ASP  32           HB2      ASP  32  -3.546  -4.268 -12.253
  226    HB3  ASP  32           HB1      ASP  32  -5.297  -4.317 -12.089
  227    H    LEU  33           HN       LEU  33  -5.448  -2.881  -8.477
  228    HA   LEU  33           HA       LEU  33  -7.930  -1.735  -9.443
  229    HB2  LEU  33           HB2      LEU  33  -7.097  -2.922  -6.820
  230    HB3  LEU  33           HB1      LEU  33  -8.512  -1.899  -6.899
  231    HG   LEU  33           HG       LEU  33  -9.590  -3.454  -8.438
  232   HD11  LEU  33          HD11      LEU  33  -7.717  -4.307  -9.652
  233   HD12  LEU  33          HD12      LEU  33  -8.587  -5.656  -8.915
  234   HD13  LEU  33          HD13      LEU  33  -7.072  -5.078  -8.212
  235   HD21  LEU  33          HD21      LEU  33  -8.466  -4.821  -6.002
  236   HD22  LEU  33          HD22      LEU  33  -9.886  -5.341  -6.911
  237   HD23  LEU  33          HD23      LEU  33  -9.901  -3.796  -6.060
  238    H    ARG  34           HN       ARG  34  -8.812   0.161  -8.804
  239    HA   ARG  34           HA       ARG  34  -6.969   2.288  -8.316
  240    HB2  ARG  34           HB2      ARG  34  -9.962   2.182  -8.572
  241    HB3  ARG  34           HB1      ARG  34  -9.136   3.656  -8.116
  242    HG2  ARG  34           HG2      ARG  34  -8.797   2.132 -10.688
  243    HG3  ARG  34           HG1      ARG  34  -9.625   3.680 -10.466
  244    HD2  ARG  34           HD2      ARG  34  -7.431   4.521  -9.512
  245    HD3  ARG  34           HD1      ARG  34  -6.713   3.058 -10.178
  246    HE   ARG  34           HE       ARG  34  -8.183   4.929 -11.869
  247   HH11  ARG  34          HH11      ARG  34  -5.392   2.926 -11.330
  248   HH12  ARG  34          HH12      ARG  34  -4.317   3.793 -12.338
  249   HH21  ARG  34          HH21      ARG  34  -6.777   6.117 -13.459
  250   HH22  ARG  34          HH22      ARG  34  -5.177   5.586 -13.665
  251    H    PHE  35           HN       PHE  35  -6.304   3.035  -6.448
  252    HA   PHE  35           HA       PHE  35  -6.977   2.152  -3.913
  253    HB2  PHE  35           HB2      PHE  35  -5.952   4.848  -4.783
  254    HB3  PHE  35           HB1      PHE  35  -6.137   4.391  -3.102
  255    HD1  PHE  35           HD1      PHE  35  -4.941   2.168  -2.433
  256    HD2  PHE  35           HD2      PHE  35  -3.955   4.554  -5.805
  257    HE1  PHE  35           HE1      PHE  35  -2.672   1.235  -2.417
  258    HE2  PHE  35           HE2      PHE  35  -1.700   3.629  -5.803
  259    HZ   PHE  35           HZ       PHE  35  -1.045   1.968  -4.103
  260    H    GLU  36           HN       GLU  36  -8.101   5.021  -5.575
  261    HA   GLU  36           HA       GLU  36  -9.805   6.063  -3.644
  262    HB2  GLU  36           HB2      GLU  36 -10.006   6.240  -6.637
  263    HB3  GLU  36           HB1      GLU  36 -10.799   7.310  -5.489
  264    HG2  GLU  36           HG2      GLU  36  -8.707   8.177  -4.749
  265    HG3  GLU  36           HG1      GLU  36  -7.822   6.977  -5.690
  266    H    ASP  37           HN       ASP  37 -10.276   3.397  -5.762
  267    HA   ASP  37           HA       ASP  37 -13.171   3.479  -5.689
  268    HB2  ASP  37           HB2      ASP  37 -11.906   2.715  -7.684
  269    HB3  ASP  37           HB1      ASP  37 -11.310   1.352  -6.747
  270    H    ILE  38           HN       ILE  38 -10.521   1.824  -4.132
  271    HA   ILE  38           HA       ILE  38 -12.415   0.191  -2.637
  272    HB   ILE  38           HB       ILE  38 -10.428  -1.032  -1.740
  273   HG12  ILE  38          HG12      ILE  38  -8.870   0.664  -3.723
  274   HG13  ILE  38          HG11      ILE  38  -8.760   0.783  -1.974
  275   HG21  ILE  38          HG21      ILE  38 -10.647  -0.929  -4.744
  276   HG22  ILE  38          HG22      ILE  38 -11.628  -1.902  -3.647
  277   HG23  ILE  38          HG23      ILE  38  -9.902  -2.233  -3.818
  278   HD11  ILE  38          HD11      ILE  38  -6.866  -0.423  -2.896
  279   HD12  ILE  38          HD12      ILE  38  -7.951  -1.594  -3.641
  280   HD13  ILE  38          HD13      ILE  38  -7.843  -1.485  -1.885
  281    H    GLY  39           HN       GLY  39 -11.935   3.058  -2.327
  282    HA2  GLY  39           HA2      GLY  39 -12.434   4.424  -0.500
  283    HA3  GLY  39           HA1      GLY  39 -12.177   3.046   0.550
  284    H    TYR  40           HN       TYR  40  -9.487   3.396  -1.422
  285    HA   TYR  40           HA       TYR  40  -8.026   4.387   0.824
  286    HB2  TYR  40           HB2      TYR  40  -7.273   3.081  -1.701
  287    HB3  TYR  40           HB1      TYR  40  -6.101   4.222  -1.044
  288    HD1  TYR  40           HD1      TYR  40  -7.965   1.107  -0.353
  289    HD2  TYR  40           HD2      TYR  40  -4.878   3.745   0.872
  290    HE1  TYR  40           HE1      TYR  40  -7.195  -0.552   1.290
  291    HE2  TYR  40           HE2      TYR  40  -4.105   2.110   2.507
  292    HH   TYR  40           HH       TYR  40  -5.444  -1.094   2.667
  293    H    ASP  41           HN       ASP  41  -8.425   6.308   1.206
  294    HA   ASP  41           HA       ASP  41  -8.071   8.448  -0.734
  295    HB2  ASP  41           HB2      ASP  41  -9.861   8.477   1.103
  296    HB3  ASP  41           HB1      ASP  41  -8.508   8.586   2.234
  297    H    SER  42           HN       SER  42  -6.677  10.317   0.307
  298    HA   SER  42           HA       SER  42  -3.981   9.608   0.241
  299    HB2  SER  42           HB2      SER  42  -3.702  11.967   1.130
  300    HB3  SER  42           HB1      SER  42  -4.719  11.832  -0.319
  301    H    LEU  43           HN       LEU  43  -6.158  10.256   2.888
  302    HA   LEU  43           HA       LEU  43  -4.490  10.089   5.119
  303    HB2  LEU  43           HB2      LEU  43  -6.888  10.818   5.081
  304    HB3  LEU  43           HB1      LEU  43  -7.365   9.159   4.853
  305    HG   LEU  43           HG       LEU  43  -7.758  10.059   7.146
  306   HD11  LEU  43          HD11      LEU  43  -7.615   7.670   6.879
  307   HD12  LEU  43          HD12      LEU  43  -6.906   8.165   8.416
  308   HD13  LEU  43          HD13      LEU  43  -5.862   7.732   7.062
  309   HD21  LEU  43          HD21      LEU  43  -4.757  10.085   7.329
  310   HD22  LEU  43          HD22      LEU  43  -5.870  10.320   8.677
  311   HD23  LEU  43          HD23      LEU  43  -5.825  11.489   7.356
  312    H    ALA  44           HN       ALA  44  -6.379   7.529   3.573
  313    HA   ALA  44           HA       ALA  44  -5.509   5.438   5.260
  314    HB1  ALA  44           HB1      ALA  44  -6.533   3.940   3.628
  315    HB2  ALA  44           HB2      ALA  44  -6.642   5.262   2.466
  316    HB3  ALA  44           HB3      ALA  44  -7.582   5.319   3.958
  317    H    LEU  45           HN       LEU  45  -4.283   6.748   2.265
  318    HA   LEU  45           HA       LEU  45  -2.434   4.731   1.667
  319    HB2  LEU  45           HB2      LEU  45  -2.320   7.680   1.062
  320    HB3  LEU  45           HB1      LEU  45  -1.174   6.514   0.440
  321    HG   LEU  45           HG       LEU  45  -4.129   6.584  -0.161
  322   HD11  LEU  45          HD11      LEU  45  -2.886   8.378  -1.234
  323   HD12  LEU  45          HD12      LEU  45  -3.376   7.165  -2.423
  324   HD13  LEU  45          HD13      LEU  45  -1.712   7.210  -1.844
  325   HD21  LEU  45          HD21      LEU  45  -1.950   4.778  -1.199
  326   HD22  LEU  45          HD22      LEU  45  -3.622   4.808  -1.760
  327   HD23  LEU  45          HD23      LEU  45  -3.251   4.305  -0.108
  328    H    MET  46           HN       MET  46  -2.053   7.694   3.606
  329    HA   MET  46           HA       MET  46   0.676   7.064   4.098
  330    HB2  MET  46           HB2      MET  46   0.819   8.934   5.608
  331    HB3  MET  46           HB1      MET  46  -0.064   9.408   4.174
  332    HG2  MET  46           HG2      MET  46  -2.129   9.382   5.374
  333    HG3  MET  46           HG1      MET  46  -1.345   8.686   6.792
  334    HE1  MET  46           HE1      MET  46  -2.251  10.536   8.401
  335    HE2  MET  46           HE2      MET  46  -3.141  11.216   7.039
  336    HE3  MET  46           HE3      MET  46  -2.155  12.265   8.058
  337    H    GLU  47           HN       GLU  47  -2.281   6.296   5.785
  338    HA   GLU  47           HA       GLU  47  -1.116   5.459   8.191
  339    HB2  GLU  47           HB2      GLU  47  -3.557   4.383   6.769
  340    HB3  GLU  47           HB1      GLU  47  -3.134   4.028   8.440
  341    HG2  GLU  47           HG2      GLU  47  -3.777   6.737   7.307
  342    HG3  GLU  47           HG1      GLU  47  -4.845   5.753   8.303
  343    H    THR  48           HN       THR  48  -1.870   3.672   5.257
  344    HA   THR  48           HA       THR  48  -0.772   1.208   5.941
  345    HB   THR  48           HB       THR  48  -0.906   2.482   3.196
  346    HG1  THR  48           HG1      THR  48  -2.988   2.605   3.939
  347   HG21  THR  48          HG21      THR  48   0.332   0.352   3.314
  348   HG22  THR  48          HG22      THR  48  -1.190   0.160   2.441
  349   HG23  THR  48          HG23      THR  48  -1.051  -0.404   4.104
  350    H    ALA  49           HN       ALA  49   0.622   3.967   4.141
  351    HA   ALA  49           HA       ALA  49   3.116   2.924   3.551
  352    HB1  ALA  49           HB1      ALA  49   3.852   5.223   3.244
  353    HB2  ALA  49           HB2      ALA  49   2.443   5.805   4.130
  354    HB3  ALA  49           HB3      ALA  49   2.233   4.997   2.578
  355    H    ALA  50           HN       ALA  50   2.176   4.875   6.382
  356    HA   ALA  50           HA       ALA  50   4.656   4.995   7.629
  357    HB1  ALA  50           HB1      ALA  50   1.941   4.881   8.916
  358    HB2  ALA  50           HB2      ALA  50   2.722   6.327   8.277
  359    HB3  ALA  50           HB3      ALA  50   3.419   5.486   9.663
  360    H    ARG  51           HN       ARG  51   2.076   2.611   7.990
  361    HA   ARG  51           HA       ARG  51   3.260   0.986   9.923
  362    HB2  ARG  51           HB2      ARG  51   0.946   0.731   9.432
  363    HB3  ARG  51           HB1      ARG  51   1.265   0.423   7.737
  364    HG2  ARG  51           HG2      ARG  51   2.131  -1.749   8.227
  365    HG3  ARG  51           HG1      ARG  51   2.094  -1.426   9.962
  366    HD2  ARG  51           HD2      ARG  51  -0.355  -1.408   8.212
  367    HD3  ARG  51           HD1      ARG  51   0.193  -2.832   9.097
  368    HE   ARG  51           HE       ARG  51   0.089  -1.058  11.041
  369   HH11  ARG  51          HH11      ARG  51  -2.398  -1.421   8.481
  370   HH12  ARG  51          HH12      ARG  51  -3.661  -1.244   9.608
  371   HH21  ARG  51          HH21      ARG  51  -1.684  -0.782  12.459
  372   HH22  ARG  51          HH22      ARG  51  -3.282  -0.835  11.860
  373    H    LEU  52           HN       LEU  52   3.509   0.911   6.420
  374    HA   LEU  52           HA       LEU  52   5.146  -1.418   6.359
  375    HB2  LEU  52           HB2      LEU  52   4.721   0.708   4.262
  376    HB3  LEU  52           HB1      LEU  52   5.557  -0.807   3.992
  377    HG   LEU  52           HG       LEU  52   2.649  -0.526   4.747
  378   HD11  LEU  52          HD11      LEU  52   3.074   0.229   2.481
  379   HD12  LEU  52          HD12      LEU  52   2.206  -1.306   2.476
  380   HD13  LEU  52          HD13      LEU  52   3.935  -1.267   2.131
  381   HD21  LEU  52          HD21      LEU  52   4.255  -2.970   4.015
  382   HD22  LEU  52          HD22      LEU  52   2.511  -2.923   4.284
  383   HD23  LEU  52          HD23      LEU  52   3.617  -2.582   5.615
  384    H    GLU  53           HN       GLU  53   5.824   2.053   6.319
  385    HA   GLU  53           HA       GLU  53   8.594   1.859   5.962
  386    HB2  GLU  53           HB2      GLU  53   6.995   3.978   7.408
  387    HB3  GLU  53           HB1      GLU  53   8.714   4.111   7.072
  388    HG2  GLU  53           HG2      GLU  53   8.203   3.932   4.656
  389    HG3  GLU  53           HG1      GLU  53   6.490   3.939   5.062
  390    H    SER  54           HN       SER  54   6.647   1.774   8.874
  391    HA   SER  54           HA       SER  54   8.787   1.580  10.689
  392    HB2  SER  54           HB2      SER  54   5.971   0.510  10.937
  393    HB3  SER  54           HB1      SER  54   7.112   0.714  12.266
  394    HG   SER  54           HG       SER  54   6.826   3.021  10.825
  395    H    ARG  55           HN       ARG  55   6.736  -0.996   9.292
  396    HA   ARG  55           HA       ARG  55   8.071  -3.084  10.629
  397    HB2  ARG  55           HB2      ARG  55   5.766  -3.252   9.808
  398    HB3  ARG  55           HB1      ARG  55   6.357  -3.242   8.153
  399    HG2  ARG  55           HG2      ARG  55   7.473  -5.363   8.503
  400    HG3  ARG  55           HG1      ARG  55   7.001  -5.353  10.205
  401    HD2  ARG  55           HD2      ARG  55   5.125  -5.432   7.845
  402    HD3  ARG  55           HD1      ARG  55   5.530  -6.793   8.894
  403    HE   ARG  55           HE       ARG  55   4.608  -4.790  10.546
  404   HH11  ARG  55          HH11      ARG  55   3.223  -6.705   7.869
  405   HH12  ARG  55          HH12      ARG  55   1.633  -6.626   8.451
  406   HH21  ARG  55          HH21      ARG  55   2.431  -4.705  11.348
  407   HH22  ARG  55          HH22      ARG  55   1.174  -5.505  10.529
  408    H    TYR  56           HN       TYR  56   8.459  -1.856   7.311
  409    HA   TYR  56           HA       TYR  56  10.478  -3.888   6.868
  410    HB2  TYR  56           HB2      TYR  56   9.222  -1.905   4.975
  411    HB3  TYR  56           HB1      TYR  56  10.481  -3.047   4.512
  412    HD1  TYR  56           HD2      TYR  56  10.015  -5.461   4.459
  413    HD2  TYR  56           HD1      TYR  56   6.967  -2.634   5.355
  414    HE1  TYR  56           HE2      TYR  56   8.320  -7.169   4.011
  415    HE2  TYR  56           HE1      TYR  56   5.251  -4.332   4.906
  416    HH   TYR  56           HH       TYR  56   5.035  -6.366   3.635
  417    H    GLY  57           HN       GLY  57  10.470  -0.876   8.158
  418    HA2  GLY  57           HA2      GLY  57  12.141   0.592   8.679
  419    HA3  GLY  57           HA1      GLY  57  13.268  -0.682   8.234
  420    H    VAL  58           HN       VAL  58  11.004   1.483   6.618
  421    HA   VAL  58           HA       VAL  58  13.134   2.179   4.763
  422    HB   VAL  58           HB       VAL  58  11.520   2.299   2.856
  423   HG11  VAL  58          HG11      VAL  58  11.440  -0.099   2.395
  424   HG12  VAL  58          HG12      VAL  58  11.847  -0.428   4.082
  425   HG13  VAL  58          HG13      VAL  58  13.001   0.402   3.039
  426   HG21  VAL  58          HG21      VAL  58   9.434   2.438   4.117
  427   HG22  VAL  58          HG22      VAL  58   9.670   0.794   4.709
  428   HG23  VAL  58          HG23      VAL  58   9.395   1.080   2.991
  429    H    SER  59           HN       SER  59  12.421   4.088   3.366
  430    HA   SER  59           HA       SER  59  10.843   5.998   4.910
  431    HB2  SER  59           HB2      SER  59  13.564   6.540   3.686
  432    HB3  SER  59           HB1      SER  59  12.566   7.694   4.582
  433    HG   SER  59           HG       SER  59  12.813   5.517   6.029
  434    H    ILE  60           HN       ILE  60   9.262   6.450   3.596
  435    HA   ILE  60           HA       ILE  60   9.595   6.251   0.708
  436    HB   ILE  60           HB       ILE  60   7.116   6.678   2.400
  437   HG12  ILE  60          HG12      ILE  60   8.071   4.249   0.863
  438   HG13  ILE  60          HG11      ILE  60   8.103   4.434   2.612
  439   HG21  ILE  60          HG21      ILE  60   6.837   7.730   0.233
  440   HG22  ILE  60          HG22      ILE  60   5.829   6.281   0.354
  441   HG23  ILE  60          HG23      ILE  60   7.327   6.241  -0.578
  442   HD11  ILE  60          HD11      ILE  60   5.632   4.357   0.895
  443   HD12  ILE  60          HD12      ILE  60   5.661   4.537   2.647
  444   HD13  ILE  60          HD13      ILE  60   6.242   3.044   1.902
  445    HA   PRO  61           HA       PRO  61  10.026  10.721   0.425
  446    HB2  PRO  61           HB2      PRO  61   9.737  10.191  -2.468
  447    HB3  PRO  61           HB1      PRO  61  11.075  10.957  -1.605
  448    HG2  PRO  61           HG2      PRO  61  11.311   8.502  -2.656
  449    HG3  PRO  61           HG1      PRO  61  12.095   8.937  -1.123
  450    HD2  PRO  61           HD2      PRO  61   9.579   7.389  -1.593
  451    HD3  PRO  61           HD1      PRO  61  10.890   7.086  -0.429
  452    H    ASP  62           HN       ASP  62   8.540  12.264   0.277
  453    HA   ASP  62           HA       ASP  62   5.839  11.625   0.438
  454    HB2  ASP  62           HB2      ASP  62   7.055  14.335  -0.113
  455    HB3  ASP  62           HB1      ASP  62   5.387  14.051   0.359
  456    H    ASP  63           HN       ASP  63   7.608  13.022  -2.324
  457    HA   ASP  63           HA       ASP  63   5.194  13.356  -3.828
  458    HB2  ASP  63           HB2      ASP  63   6.466  14.209  -5.574
  459    HB3  ASP  63           HB1      ASP  63   7.516  14.527  -4.206
  460    H    VAL  64           HN       VAL  64   7.387  10.737  -3.408
  461    HA   VAL  64           HA       VAL  64   6.535   9.325  -5.753
  462    HB   VAL  64           HB       VAL  64   8.005   8.214  -3.336
  463   HG11  VAL  64          HG11      VAL  64   7.760   7.183  -6.160
  464   HG12  VAL  64          HG12      VAL  64   6.988   6.494  -4.731
  465   HG13  VAL  64          HG13      VAL  64   8.745   6.470  -4.883
  466   HG21  VAL  64          HG21      VAL  64   9.241  10.059  -4.326
  467   HG22  VAL  64          HG22      VAL  64   9.101   9.316  -5.919
  468   HG23  VAL  64          HG23      VAL  64  10.043   8.523  -4.654
  469    H    ALA  65           HN       ALA  65   5.724   9.339  -2.350
  470    HA   ALA  65           HA       ALA  65   3.951   7.160  -2.328
  471    HB1  ALA  65           HB1      ALA  65   3.019   8.167  -0.318
  472    HB2  ALA  65           HB2      ALA  65   3.799   9.694  -0.707
  473    HB3  ALA  65           HB3      ALA  65   4.777   8.286  -0.302
  474    H    GLY  66           HN       GLY  66   3.614  10.414  -3.473
  475    HA2  GLY  66           HA2      GLY  66   0.743  10.196  -3.772
  476    HA3  GLY  66           HA1      GLY  66   1.736  11.585  -4.189
  477    H    ARG  67           HN       ARG  67   3.357   9.135  -5.619
  478    HA   ARG  67           HA       ARG  67   1.939   9.659  -8.146
  479    HB2  ARG  67           HB2      ARG  67   3.936   9.096  -9.334
  480    HB3  ARG  67           HB1      ARG  67   4.418  10.151  -8.014
  481    HG2  ARG  67           HG2      ARG  67   5.235   8.289  -6.749
  482    HG3  ARG  67           HG1      ARG  67   4.597   7.155  -7.935
  483    HD2  ARG  67           HD2      ARG  67   6.944   7.370  -8.256
  484    HD3  ARG  67           HD1      ARG  67   6.116   8.129  -9.609
  485    HE   ARG  67           HE       ARG  67   6.560  10.223  -8.024
  486   HH11  ARG  67          HH11      ARG  67   8.678   7.547  -8.922
  487   HH12  ARG  67          HH12      ARG  67  10.093   8.493  -9.050
  488   HH21  ARG  67          HH21      ARG  67   8.538  11.522  -7.977
  489   HH22  ARG  67          HH22      ARG  67   9.996  10.834  -8.488
  490    H    VAL  68           HN       VAL  68   1.651   7.429  -5.848
  491    HA   VAL  68           HA       VAL  68   1.991   5.042  -7.333
  492    HB   VAL  68           HB       VAL  68   0.516   5.565  -4.762
  493   HG11  VAL  68          HG11      VAL  68   0.095   3.493  -5.829
  494   HG12  VAL  68          HG12      VAL  68   0.972   3.292  -4.298
  495   HG13  VAL  68          HG13      VAL  68   1.831   3.142  -5.858
  496   HG21  VAL  68          HG21      VAL  68   2.787   6.420  -4.543
  497   HG22  VAL  68          HG22      VAL  68   3.431   4.878  -5.117
  498   HG23  VAL  68          HG23      VAL  68   2.562   4.962  -3.580
  499    H    ASP  69           HN       ASP  69   0.580   4.669  -8.901
  500    HA   ASP  69           HA       ASP  69  -2.060   5.872  -8.838
  501    HB2  ASP  69           HB2      ASP  69  -0.734   6.039 -10.886
  502    HB3  ASP  69           HB1      ASP  69  -0.631   4.287 -10.982
  503    H    THR  70           HN       THR  70  -0.556   2.710  -8.798
  504    HA   THR  70           HA       THR  70  -3.036   1.635  -7.760
  505    HB   THR  70           HB       THR  70  -2.508  -0.533  -9.044
  506    HG1  THR  70           HG1      THR  70  -0.511   1.053 -10.073
  507   HG21  THR  70          HG21      THR  70  -4.405   0.854  -9.639
  508   HG22  THR  70          HG22      THR  70  -3.644   0.196 -11.091
  509   HG23  THR  70          HG23      THR  70  -3.368   1.876 -10.635
  510    HA   PRO  71           HA       PRO  71  -0.818  -0.041  -4.338
  511    HB2  PRO  71           HB2      PRO  71  -1.663  -2.759  -5.263
  512    HB3  PRO  71           HB1      PRO  71  -1.761  -2.040  -3.650
  513    HG2  PRO  71           HG2      PRO  71  -3.923  -2.192  -5.154
  514    HG3  PRO  71           HG1      PRO  71  -3.602  -0.722  -4.212
  515    HD2  PRO  71           HD2      PRO  71  -3.321  -1.198  -7.143
  516    HD3  PRO  71           HD1      PRO  71  -3.805   0.273  -6.277
  517    H    ARG  72           HN       ARG  72  -0.415  -1.776  -7.294
  518    HA   ARG  72           HA       ARG  72   1.857  -3.270  -6.917
  519    HB2  ARG  72           HB2      ARG  72   0.548  -3.514  -8.823
  520    HB3  ARG  72           HB1      ARG  72   0.704  -1.820  -9.228
  521    HG2  ARG  72           HG2      ARG  72   3.054  -2.213  -9.857
  522    HG3  ARG  72           HG1      ARG  72   2.864  -3.926  -9.445
  523    HD2  ARG  72           HD2      ARG  72   2.580  -3.343 -11.897
  524    HD3  ARG  72           HD1      ARG  72   1.257  -4.259 -11.161
  525    HE   ARG  72           HE       ARG  72   0.943  -1.434 -11.004
  526   HH11  ARG  72          HH11      ARG  72   0.541  -4.067 -13.314
  527   HH12  ARG  72          HH12      ARG  72  -0.932  -3.476 -13.977
  528   HH21  ARG  72          HH21      ARG  72  -1.135  -0.678 -11.797
  529   HH22  ARG  72          HH22      ARG  72  -1.957  -1.528 -13.037
  530    H    GLU  73           HN       GLU  73   1.701   0.186  -7.876
  531    HA   GLU  73           HA       GLU  73   4.513   0.455  -8.136
  532    HB2  GLU  73           HB2      GLU  73   2.425   2.607  -7.733
  533    HB3  GLU  73           HB1      GLU  73   4.120   2.936  -8.021
  534    HG2  GLU  73           HG2      GLU  73   2.997   3.227 -10.076
  535    HG3  GLU  73           HG1      GLU  73   3.889   1.714 -10.199
  536    H    LEU  74           HN       LEU  74   2.386   0.734  -5.446
  537    HA   LEU  74           HA       LEU  74   4.229   2.027  -3.694
  538    HB2  LEU  74           HB2      LEU  74   1.670   1.842  -3.447
  539    HB3  LEU  74           HB1      LEU  74   1.928   0.208  -2.905
  540    HG   LEU  74           HG       LEU  74   1.470   1.840  -1.085
  541   HD11  LEU  74          HD11      LEU  74   3.237   1.150   0.444
  542   HD12  LEU  74          HD12      LEU  74   4.193   0.571  -0.922
  543   HD13  LEU  74          HD13      LEU  74   2.654  -0.197  -0.534
  544   HD21  LEU  74          HD21      LEU  74   2.573   3.780  -2.018
  545   HD22  LEU  74          HD22      LEU  74   4.143   2.993  -1.850
  546   HD23  LEU  74          HD23      LEU  74   3.214   3.421  -0.413
  547    H    LEU  75           HN       LEU  75   3.256  -1.287  -4.289
  548    HA   LEU  75           HA       LEU  75   4.918  -2.737  -2.583
  549    HB2  LEU  75           HB2      LEU  75   3.090  -3.651  -3.954
  550    HB3  LEU  75           HB1      LEU  75   4.019  -3.347  -5.402
  551    HG   LEU  75           HG       LEU  75   5.685  -5.018  -4.624
  552   HD11  LEU  75          HD11      LEU  75   5.249  -4.858  -2.249
  553   HD12  LEU  75          HD12      LEU  75   5.056  -6.515  -2.818
  554   HD13  LEU  75          HD13      LEU  75   3.634  -5.522  -2.489
  555   HD21  LEU  75          HD21      LEU  75   3.930  -5.631  -6.195
  556   HD22  LEU  75          HD22      LEU  75   2.841  -5.985  -4.854
  557   HD23  LEU  75          HD23      LEU  75   4.284  -6.965  -5.099
  558    H    ASP  76           HN       ASP  76   5.393  -1.803  -5.923
  559    HA   ASP  76           HA       ASP  76   7.971  -2.669  -6.424
  560    HB2  ASP  76           HB2      ASP  76   6.382  -1.974  -8.137
  561    HB3  ASP  76           HB1      ASP  76   6.441  -0.320  -7.552
  562    H    LEU  77           HN       LEU  77   6.857   0.397  -5.108
  563    HA   LEU  77           HA       LEU  77   9.326   1.727  -4.955
  564    HB2  LEU  77           HB2      LEU  77   7.336   2.999  -4.781
  565    HB3  LEU  77           HB1      LEU  77   6.756   2.051  -3.420
  566    HG   LEU  77           HG       LEU  77   8.530   3.016  -2.099
  567   HD11  LEU  77          HD11      LEU  77  10.156   3.543  -3.835
  568   HD12  LEU  77          HD12      LEU  77   9.750   5.004  -2.932
  569   HD13  LEU  77          HD13      LEU  77   9.053   4.733  -4.530
  570   HD21  LEU  77          HD21      LEU  77   7.517   5.255  -1.913
  571   HD22  LEU  77          HD22      LEU  77   6.321   3.967  -2.050
  572   HD23  LEU  77          HD23      LEU  77   6.693   4.978  -3.447
  573    H    ILE  78           HN       ILE  78   7.594  -0.247  -2.563
  574    HA   ILE  78           HA       ILE  78   9.372   0.229  -0.421
  575    HB   ILE  78           HB       ILE  78   7.585  -2.178  -0.900
  576   HG12  ILE  78          HG12      ILE  78   6.322  -0.082  -0.803
  577   HG13  ILE  78          HG11      ILE  78   6.005  -1.068   0.619
  578   HG21  ILE  78          HG21      ILE  78   9.316  -2.710   0.733
  579   HG22  ILE  78          HG22      ILE  78   7.748  -2.576   1.523
  580   HG23  ILE  78          HG23      ILE  78   8.913  -1.260   1.656
  581   HD11  ILE  78          HD11      ILE  78   7.521   0.342   1.925
  582   HD12  ILE  78          HD12      ILE  78   6.223   1.284   1.191
  583   HD13  ILE  78          HD13      ILE  78   7.842   1.316   0.492
  584    H    ASN  79           HN       ASN  79   9.130  -2.491  -2.667
  585    HA   ASN  79           HA       ASN  79  11.390  -3.832  -1.659
  586    HB2  ASN  79           HB2      ASN  79  10.039  -4.036  -4.349
  587    HB3  ASN  79           HB1      ASN  79  11.358  -5.090  -3.842
  588   HD21  ASN  79          HD21      ASN  79   8.530  -5.658  -4.449
  589   HD22  ASN  79          HD22      ASN  79   7.928  -6.455  -3.023
  590    H    GLY  80           HN       GLY  80  11.046  -1.403  -4.145
  591    HA2  GLY  80           HA2      GLY  80  13.684  -1.457  -5.113
  592    HA3  GLY  80           HA1      GLY  80  12.602  -0.071  -5.165
  593    H    ALA  81           HN       ALA  81  12.187   0.294  -2.441
  594    HA   ALA  81           HA       ALA  81  14.519   1.744  -1.715
  595    HB1  ALA  81           HB1      ALA  81  12.257   2.493  -1.111
  596    HB2  ALA  81           HB2      ALA  81  13.280   2.313   0.316
  597    HB3  ALA  81           HB3      ALA  81  12.076   1.084  -0.065
  598    H    LEU  82           HN       LEU  82  13.101  -1.302  -0.695
  599    HA   LEU  82           HA       LEU  82  14.810  -1.882   1.460
  600    HB2  LEU  82           HB2      LEU  82  13.298  -3.680  -0.415
  601    HB3  LEU  82           HB1      LEU  82  14.235  -4.302   0.929
  602    HG   LEU  82           HG       LEU  82  11.917  -2.386   1.225
  603   HD11  LEU  82          HD11      LEU  82  12.032  -5.373   1.639
  604   HD12  LEU  82          HD12      LEU  82  11.179  -4.547   0.333
  605   HD13  LEU  82          HD13      LEU  82  10.659  -4.324   2.002
  606   HD21  LEU  82          HD21      LEU  82  12.055  -3.012   3.573
  607   HD22  LEU  82          HD22      LEU  82  13.577  -2.309   3.024
  608   HD23  LEU  82          HD23      LEU  82  13.435  -4.054   3.225
  609    H    ALA  83           HN       ALA  83  15.104  -2.622  -1.972
  610    HA   ALA  83           HA       ALA  83  17.473  -4.125  -1.798
  611    HB1  ALA  83           HB1      ALA  83  15.987  -4.156  -3.752
  612    HB2  ALA  83           HB2      ALA  83  17.654  -3.787  -4.207
  613    HB3  ALA  83           HB3      ALA  83  16.456  -2.498  -4.122
  614    H    GLU  84           HN       GLU  84  16.919  -0.680  -2.019
  615    HA   GLU  84           HA       GLU  84  19.728  -0.069  -2.339
  616    HB2  GLU  84           HB2      GLU  84  17.347   1.711  -1.789
  617    HB3  GLU  84           HB1      GLU  84  18.981   2.300  -2.052
  618    HG2  GLU  84           HG2      GLU  84  17.365   0.724  -4.040
  619    HG3  GLU  84           HG1      GLU  84  17.556   2.476  -4.045
  620    H    ALA  85           HN       ALA  85  17.399  -0.319   0.208
  621    HA   ALA  85           HA       ALA  85  17.505  -0.424   2.437
  622    HB1  ALA  85           HB1      ALA  85  20.510  -0.594   2.096
  623    HB2  ALA  85           HB2      ALA  85  19.401  -1.964   2.065
  624    HB3  ALA  85           HB3      ALA  85  19.599  -1.023   3.545
  625    H    ALA  86           HN       ALA  86  17.687   2.129   0.989
  626    HA   ALA  86           HA       ALA  86  18.787   3.760   3.164
  627    HB1  ALA  86           HB1      ALA  86  20.043   4.075   1.072
  628    HB2  ALA  86           HB2      ALA  86  19.170   5.542   1.514
  629    HB3  ALA  86           HB3      ALA  86  18.547   4.496   0.237
  630    H28  SXH  87          H28B      SXH  87  -3.586  12.644   3.080
  631   H28A  SXH  87          H28A      SXH  87  -4.488  13.833   4.030
  632    H30  SXH  87          H30C      SXH  87  -2.514  13.787   5.505
  633   H30A  SXH  87          H30A      SXH  87  -0.922  14.240   4.891
  634   H30B  SXH  87          H30B      SXH  87  -1.668  12.725   4.378
  635    H31  SXH  87          H31A      SXH  87  -1.335  13.332   2.085
  636   H31A  SXH  87          H31C      SXH  87  -2.058  14.793   1.403
  637   H31B  SXH  87          H31B      SXH  87  -0.658  14.913   2.476
  638    H32  SXH  87          H32A      SXH  87  -3.378  15.994   4.760
  639   HO33  SXH  87          H33A      SXH  87  -3.968  15.703   2.288
  640   HN36  SXH  87          H36A      SXH  87  -1.188  15.953   5.627
  641    H37  SXH  87          H37A      SXH  87   0.289  18.400   4.874
  642   H37A  SXH  87          H37B      SXH  87   0.259  17.640   6.458
  643    H38  SXH  87          H38A      SXH  87   1.674  16.614   4.022
  644   H38A  SXH  87          H38B      SXH  87   2.422  17.270   5.487
  645   HN41  SXH  87          H41A      SXH  87   2.813  14.833   4.152
  646    H42  SXH  87          H42A      SXH  87   3.459  12.942   5.798
  647   H42A  SXH  87          H42B      SXH  87   1.707  12.715   5.782
  648    H43  SXH  87          H43A      SXH  87   3.513  12.640   3.369
  649   H43A  SXH  87          H43B      SXH  87   1.750  12.626   3.356
  650    H2   SXH  87           H2A      SXH  87   1.817   8.388   3.001
  651    H2A  SXH  87           H2B      SXH  87   2.491   8.411   1.361
  652    H3   SXH  87           H3A      SXH  87  -0.036   9.766   2.335
  653    H3A  SXH  87           H3B      SXH  87   0.042   8.307   1.352
  654    H4   SXH  87           H4B      SXH  87   1.058  11.013   0.493
  655    H4A  SXH  87           H4A      SXH  87   1.019   9.543  -0.485
  656    H5   SXH  87           H5A      SXH  87  -1.377  11.004   0.632
  657    H5A  SXH  87           H5B      SXH  87  -1.425   9.509  -0.321
  658    H6   SXH  87           H6C      SXH  87  -0.300  12.165  -1.219
  659    H6A  SXH  87           H6A      SXH  87  -1.853  11.485  -1.708
  660    H6B  SXH  87           H6B      SXH  87  -0.351  10.686  -2.179
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1   8.985 -13.128  -1.371
    2    H2   MET   1           HT2      MET   1   7.860 -11.901  -1.175
    3    H3   MET   1           HT3      MET   1   7.511 -13.211  -2.203
    4    HA   MET   1           HA       MET   1   6.286 -13.246  -0.246
    5    HB2  MET   1           HB2      MET   1   7.025 -15.643   0.544
    6    HB3  MET   1           HB1      MET   1   6.418 -15.387  -1.073
    7    HG2  MET   1           HG2      MET   1   8.234 -16.896  -1.233
    8    HG3  MET   1           HG1      MET   1   8.790 -15.358  -1.869
    9    HE1  MET   1           HE1      MET   1  11.296 -16.171  -1.786
   10    HE2  MET   1           HE2      MET   1  10.730 -17.738  -1.207
   11    HE3  MET   1           HE3      MET   1  12.039 -16.910  -0.368
   12    H    ALA   2           HN       ALA   2   9.270 -14.490   1.185
   13    HA   ALA   2           HA       ALA   2   8.721 -12.790   3.495
   14    HB1  ALA   2           HB1      ALA   2  10.572 -14.078   4.542
   15    HB2  ALA   2           HB2      ALA   2  10.808 -14.942   3.024
   16    HB3  ALA   2           HB3      ALA   2   9.306 -15.141   3.926
   17    H    THR   3           HN       THR   3  11.176 -13.530   1.053
   18    HA   THR   3           HA       THR   3  12.684 -11.192   1.612
   19    HB   THR   3           HB       THR   3  13.758 -12.028  -0.600
   20    HG1  THR   3           HG1      THR   3  13.238 -14.356  -0.849
   21   HG21  THR   3          HG21      THR   3  14.728 -12.442   1.615
   22   HG22  THR   3          HG22      THR   3  14.937 -13.842   0.565
   23   HG23  THR   3          HG23      THR   3  13.689 -13.853   1.811
   24    H    LEU   4           HN       LEU   4  11.698  -9.350   1.126
   25    HA   LEU   4           HA       LEU   4  10.682  -7.722   0.127
   26    HB2  LEU   4           HB2      LEU   4  10.973  -9.343  -2.396
   27    HB3  LEU   4           HB1      LEU   4  10.221  -7.766  -2.376
   28    HG   LEU   4           HG       LEU   4  12.401  -6.872  -1.453
   29   HD11  LEU   4          HD11      LEU   4  13.388  -8.926  -0.678
   30   HD12  LEU   4          HD12      LEU   4  14.426  -8.137  -1.871
   31   HD13  LEU   4          HD13      LEU   4  13.453  -9.539  -2.334
   32   HD21  LEU   4          HD21      LEU   4  11.739  -6.527  -3.755
   33   HD22  LEU   4          HD22      LEU   4  12.422  -8.092  -4.204
   34   HD23  LEU   4          HD23      LEU   4  13.478  -6.793  -3.649
   35    H    LEU   5           HN       LEU   5   8.864  -6.941   0.173
   36    HA   LEU   5           HA       LEU   5   6.498  -8.146   0.945
   37    HB2  LEU   5           HB2      LEU   5   7.142  -5.709   1.049
   38    HB3  LEU   5           HB1      LEU   5   6.861  -5.673  -0.680
   39    HG   LEU   5           HG       LEU   5   4.456  -6.282  -0.193
   40   HD11  LEU   5          HD11      LEU   5   3.614  -5.797   1.998
   41   HD12  LEU   5          HD12      LEU   5   5.236  -5.407   2.555
   42   HD13  LEU   5          HD13      LEU   5   4.847  -7.060   2.102
   43   HD21  LEU   5          HD21      LEU   5   5.541  -3.664   0.808
   44   HD22  LEU   5          HD22      LEU   5   3.862  -3.994   0.407
   45   HD23  LEU   5          HD23      LEU   5   5.095  -4.049  -0.859
   46    H    THR   6           HN       THR   6   5.087  -9.395  -0.244
   47    HA   THR   6           HA       THR   6   4.856  -8.811  -3.077
   48    HB   THR   6           HB       THR   6   4.184 -11.288  -3.300
   49    HG1  THR   6           HG1      THR   6   4.205 -12.305  -1.486
   50   HG21  THR   6          HG21      THR   6   7.052 -10.530  -2.706
   51   HG22  THR   6          HG22      THR   6   6.232 -10.340  -4.256
   52   HG23  THR   6          HG23      THR   6   6.539 -11.954  -3.610
   53    H    THR   7           HN       THR   7   2.652 -10.476  -3.686
   54    HA   THR   7           HA       THR   7   0.551  -8.850  -3.434
   55    HB   THR   7           HB       THR   7   0.276 -11.830  -3.491
   56    HG1  THR   7           HG1      THR   7   0.965 -11.603  -5.722
   57   HG21  THR   7          HG21      THR   7  -1.323 -11.272  -5.279
   58   HG22  THR   7          HG22      THR   7  -0.916  -9.565  -5.124
   59   HG23  THR   7          HG23      THR   7  -1.721 -10.403  -3.798
   60    H    ASP   8           HN       ASP   8   1.087 -11.818  -1.463
   61    HA   ASP   8           HA       ASP   8  -1.256 -11.475   0.091
   62    HB2  ASP   8           HB2      ASP   8  -0.305 -13.669  -0.059
   63    HB3  ASP   8           HB1      ASP   8   1.218 -13.116   0.627
   64    H    ASP   9           HN       ASP   9   2.076 -10.596   0.681
   65    HA   ASP   9           HA       ASP   9   1.689  -9.873   3.403
   66    HB2  ASP   9           HB2      ASP   9   3.998 -10.300   2.081
   67    HB3  ASP   9           HB1      ASP   9   3.816  -8.614   1.747
   68    H    LEU  10           HN       LEU  10   1.790  -8.002   0.392
   69    HA   LEU  10           HA       LEU  10   1.437  -5.470   1.589
   70    HB2  LEU  10           HB2      LEU  10   2.322  -5.654  -0.660
   71    HB3  LEU  10           HB1      LEU  10   0.859  -6.431  -1.217
   72    HG   LEU  10           HG       LEU  10  -0.388  -4.331  -0.936
   73   HD11  LEU  10          HD11      LEU  10   2.247  -3.078  -0.172
   74   HD12  LEU  10          HD12      LEU  10   0.917  -3.404   0.937
   75   HD13  LEU  10          HD13      LEU  10   0.704  -2.254  -0.383
   76   HD21  LEU  10          HD21      LEU  10   0.693  -4.799  -3.072
   77   HD22  LEU  10          HD22      LEU  10   2.162  -3.998  -2.515
   78   HD23  LEU  10          HD23      LEU  10   0.679  -3.068  -2.734
   79    H    ARG  11           HN       ARG  11  -0.818  -7.841   0.281
   80    HA   ARG  11           HA       ARG  11  -3.217  -6.493   0.495
   81    HB2  ARG  11           HB2      ARG  11  -3.087  -8.731  -0.418
   82    HB3  ARG  11           HB1      ARG  11  -2.637  -9.374   1.157
   83    HG2  ARG  11           HG2      ARG  11  -4.818  -8.705   2.041
   84    HG3  ARG  11           HG1      ARG  11  -5.268  -8.102   0.446
   85    HD2  ARG  11           HD2      ARG  11  -6.182 -10.320   0.874
   86    HD3  ARG  11           HD1      ARG  11  -5.049 -10.330  -0.476
   87    HE   ARG  11           HE       ARG  11  -3.421 -11.298   1.040
   88   HH11  ARG  11          HH11      ARG  11  -6.787 -11.343   2.123
   89   HH12  ARG  11          HH12      ARG  11  -6.656 -12.827   2.955
   90   HH21  ARG  11          HH21      ARG  11  -3.191 -13.345   2.257
   91   HH22  ARG  11          HH22      ARG  11  -4.546 -13.964   3.048
   92    H    ARG  12           HN       ARG  12  -1.523  -8.334   2.991
   93    HA   ARG  12           HA       ARG  12  -3.380  -8.054   5.055
   94    HB2  ARG  12           HB2      ARG  12  -0.381  -8.168   5.365
   95    HB3  ARG  12           HB1      ARG  12  -1.574  -8.543   6.592
   96    HG2  ARG  12           HG2      ARG  12  -2.305 -10.476   5.277
   97    HG3  ARG  12           HG1      ARG  12  -1.079 -10.097   4.061
   98    HD2  ARG  12           HD2      ARG  12   0.630 -10.229   5.887
   99    HD3  ARG  12           HD1      ARG  12  -0.639 -10.842   6.939
  100    HE   ARG  12           HE       ARG  12   0.107 -12.232   4.450
  101   HH11  ARG  12          HH11      ARG  12  -0.731 -12.387   7.883
  102   HH12  ARG  12          HH12      ARG  12  -0.213 -13.999   8.065
  103   HH21  ARG  12          HH21      ARG  12   0.803 -14.324   4.676
  104   HH22  ARG  12          HH22      ARG  12   0.784 -15.162   6.182
  105    H    ALA  13           HN       ALA  13  -0.588  -6.070   4.210
  106    HA   ALA  13           HA       ALA  13  -0.794  -4.263   6.352
  107    HB1  ALA  13           HB1      ALA  13   1.249  -4.557   5.041
  108    HB2  ALA  13           HB2      ALA  13   0.745  -2.867   5.089
  109    HB3  ALA  13           HB3      ALA  13   0.456  -3.831   3.643
  110    H    LEU  14           HN       LEU  14  -2.061  -4.176   3.075
  111    HA   LEU  14           HA       LEU  14  -3.197  -1.590   3.201
  112    HB2  LEU  14           HB2      LEU  14  -3.817  -3.993   1.501
  113    HB3  LEU  14           HB1      LEU  14  -4.660  -2.472   1.322
  114    HG   LEU  14           HG       LEU  14  -1.674  -2.782   0.958
  115   HD11  LEU  14          HD11      LEU  14  -2.921  -4.090  -0.696
  116   HD12  LEU  14          HD12      LEU  14  -2.175  -2.673  -1.436
  117   HD13  LEU  14          HD13      LEU  14  -3.902  -2.676  -1.075
  118   HD21  LEU  14          HD21      LEU  14  -1.825  -0.604  -0.076
  119   HD22  LEU  14          HD22      LEU  14  -2.547  -0.505   1.541
  120   HD23  LEU  14          HD23      LEU  14  -3.571  -0.598   0.119
  121    H    VAL  15           HN       VAL  15  -4.587  -4.810   3.709
  122    HA   VAL  15           HA       VAL  15  -7.150  -3.796   4.235
  123    HB   VAL  15           HB       VAL  15  -6.671  -6.148   3.351
  124   HG11  VAL  15          HG11      VAL  15  -6.347  -7.944   4.921
  125   HG12  VAL  15          HG12      VAL  15  -6.094  -6.767   6.214
  126   HG13  VAL  15          HG13      VAL  15  -4.976  -6.838   4.850
  127   HG21  VAL  15          HG21      VAL  15  -8.908  -5.509   4.021
  128   HG22  VAL  15          HG22      VAL  15  -8.549  -5.929   5.695
  129   HG23  VAL  15          HG23      VAL  15  -8.592  -7.187   4.459
  130    H    GLU  16           HN       GLU  16  -4.425  -3.964   6.243
  131    HA   GLU  16           HA       GLU  16  -5.747  -4.004   8.730
  132    HB2  GLU  16           HB2      GLU  16  -3.100  -2.777   7.962
  133    HB3  GLU  16           HB1      GLU  16  -3.715  -2.762   9.606
  134    HG2  GLU  16           HG2      GLU  16  -3.789  -5.239   9.541
  135    HG3  GLU  16           HG1      GLU  16  -3.032  -5.176   7.949
  136    H    SER  17           HN       SER  17  -5.233  -1.429   6.426
  137    HA   SER  17           HA       SER  17  -6.454   0.481   8.217
  138    HB2  SER  17           HB2      SER  17  -5.570   0.693   5.336
  139    HB3  SER  17           HB1      SER  17  -6.429   1.988   6.168
  140    HG   SER  17           HG       SER  17  -4.791   2.480   7.172
  141    H    ALA  18           HN       ALA  18  -7.330  -0.820   5.011
  142    HA   ALA  18           HA       ALA  18 -10.062  -0.032   5.432
  143    HB1  ALA  18           HB1      ALA  18  -9.078   0.141   3.195
  144    HB2  ALA  18           HB2      ALA  18 -10.472  -0.951   3.230
  145    HB3  ALA  18           HB3      ALA  18  -8.837  -1.611   3.187
  146    H    GLY  19           HN       GLY  19 -10.849  -1.175   7.046
  147    HA2  GLY  19           HA2      GLY  19 -10.678  -4.085   6.880
  148    HA3  GLY  19           HA1      GLY  19 -11.204  -3.182   8.312
  149    H    GLU  20           HN       GLU  20 -12.664  -1.462   6.306
  150    HA   GLU  20           HA       GLU  20 -15.068  -3.060   6.164
  151    HB2  GLU  20           HB2      GLU  20 -16.161  -0.877   5.614
  152    HB3  GLU  20           HB1      GLU  20 -15.399  -0.897   7.192
  153    HG2  GLU  20           HG2      GLU  20 -14.007   0.268   4.792
  154    HG3  GLU  20           HG1      GLU  20 -15.167   1.202   5.729
  155    H    THR  21           HN       THR  21 -16.172  -3.258   4.114
  156    HA   THR  21           HA       THR  21 -14.229  -3.216   1.988
  157    HB   THR  21           HB       THR  21 -15.984  -4.747   0.866
  158    HG1  THR  21           HG1      THR  21 -16.947  -5.830   3.055
  159   HG21  THR  21          HG21      THR  21 -14.526  -5.647   3.360
  160   HG22  THR  21          HG22      THR  21 -13.840  -5.539   1.739
  161   HG23  THR  21          HG23      THR  21 -15.118  -6.707   2.080
  162    H    ASP  22           HN       ASP  22 -14.936  -0.790   2.387
  163    HA   ASP  22           HA       ASP  22 -17.159  -0.110   0.643
  164    HB2  ASP  22           HB2      ASP  22 -15.427   1.582   2.436
  165    HB3  ASP  22           HB1      ASP  22 -16.491   2.303   1.235
  166    H    GLY  23           HN       GLY  23 -16.607  -0.571  -1.315
  167    HA2  GLY  23           HA2      GLY  23 -15.540   0.839  -3.170
  168    HA3  GLY  23           HA1      GLY  23 -14.040   0.348  -2.371
  169    H    THR  24           HN       THR  24 -14.517  -2.122  -1.592
  170    HA   THR  24           HA       THR  24 -15.861  -3.912  -3.065
  171    HB   THR  24           HB       THR  24 -14.420  -3.163  -5.030
  172    HG1  THR  24           HG1      THR  24 -14.176  -5.157  -5.773
  173   HG21  THR  24          HG21      THR  24 -12.345  -2.656  -3.820
  174   HG22  THR  24          HG22      THR  24 -12.042  -3.840  -5.091
  175   HG23  THR  24          HG23      THR  24 -12.159  -4.361  -3.408
  176    H    ASP  25           HN       ASP  25 -14.288  -6.124  -2.874
  177    HA   ASP  25           HA       ASP  25 -13.499  -6.052  -0.060
  178    HB2  ASP  25           HB2      ASP  25 -14.972  -7.916  -0.673
  179    HB3  ASP  25           HB1      ASP  25 -13.840  -8.427  -1.920
  180    H    LEU  26           HN       LEU  26 -11.532  -5.423   0.270
  181    HA   LEU  26           HA       LEU  26  -9.465  -5.672  -1.691
  182    HB2  LEU  26           HB2      LEU  26  -9.751  -3.823   0.098
  183    HB3  LEU  26           HB1      LEU  26  -9.101  -4.978   1.234
  184    HG   LEU  26           HG       LEU  26  -7.429  -3.339   0.509
  185   HD11  LEU  26          HD11      LEU  26  -5.606  -4.808  -0.143
  186   HD12  LEU  26          HD12      LEU  26  -6.762  -6.090  -0.506
  187   HD13  LEU  26          HD13      LEU  26  -6.577  -5.512   1.150
  188   HD21  LEU  26          HD21      LEU  26  -6.593  -3.332  -1.789
  189   HD22  LEU  26          HD22      LEU  26  -8.283  -2.842  -1.681
  190   HD23  LEU  26          HD23      LEU  26  -7.869  -4.460  -2.246
  191    H    SER  27           HN       SER  27  -9.162  -7.786  -2.100
  192    HA   SER  27           HA       SER  27  -7.693  -9.325  -0.193
  193    HB2  SER  27           HB2      SER  27 -10.032  -9.720   0.489
  194    HB3  SER  27           HB1      SER  27 -10.408 -10.240  -1.150
  195    HG   SER  27           HG       SER  27 -10.054 -11.924   0.276
  196    H    GLY  28           HN       GLY  28  -6.085  -9.615  -1.616
  197    HA2  GLY  28           HA2      GLY  28  -4.976 -10.925  -3.197
  198    HA3  GLY  28           HA1      GLY  28  -6.529 -11.533  -3.745
  199    H    ASP  29           HN       ASP  29  -7.861  -9.651  -4.725
  200    HA   ASP  29           HA       ASP  29  -6.344  -8.602  -6.983
  201    HB2  ASP  29           HB2      ASP  29  -9.310  -8.482  -6.341
  202    HB3  ASP  29           HB1      ASP  29  -8.587  -7.820  -7.795
  203    H    PHE  30           HN       PHE  30  -5.346  -6.715  -6.738
  204    HA   PHE  30           HA       PHE  30  -6.739  -4.395  -5.953
  205    HB2  PHE  30           HB2      PHE  30  -5.407  -3.757  -3.962
  206    HB3  PHE  30           HB1      PHE  30  -6.451  -5.141  -3.683
  207    HD1  PHE  30           HD2      PHE  30  -2.998  -3.985  -3.984
  208    HD2  PHE  30           HD1      PHE  30  -5.517  -7.312  -3.260
  209    HE1  PHE  30           HE2      PHE  30  -1.076  -5.245  -3.127
  210    HE2  PHE  30           HE1      PHE  30  -3.603  -8.577  -2.393
  211    HZ   PHE  30           HZ       PHE  30  -1.376  -7.544  -2.333
  212    H    LEU  31           HN       LEU  31  -3.650  -5.909  -6.749
  213    HA   LEU  31           HA       LEU  31  -1.958  -3.729  -6.798
  214    HB2  LEU  31           HB2      LEU  31  -1.994  -6.101  -8.623
  215    HB3  LEU  31           HB1      LEU  31  -0.725  -4.904  -8.627
  216    HG   LEU  31           HG       LEU  31  -1.419  -6.769  -6.363
  217   HD11  LEU  31          HD11      LEU  31  -0.348  -7.825  -8.258
  218   HD12  LEU  31          HD12      LEU  31   0.805  -7.706  -6.916
  219   HD13  LEU  31          HD13      LEU  31   0.883  -6.570  -8.275
  220   HD21  LEU  31          HD21      LEU  31  -0.619  -4.598  -5.528
  221   HD22  LEU  31          HD22      LEU  31   0.784  -4.709  -6.592
  222   HD23  LEU  31          HD23      LEU  31   0.580  -5.868  -5.277
  223    H    ASP  32           HN       ASP  32  -4.223  -4.706  -9.253
  224    HA   ASP  32           HA       ASP  32  -3.184  -2.726 -11.143
  225    HB2  ASP  32           HB2      ASP  32  -3.652  -5.101 -11.797
  226    HB3  ASP  32           HB1      ASP  32  -5.352  -4.810 -11.482
  227    H    LEU  33           HN       LEU  33  -5.410  -2.949  -8.725
  228    HA   LEU  33           HA       LEU  33  -7.450  -1.323  -9.972
  229    HB2  LEU  33           HB2      LEU  33  -7.295  -2.475  -7.189
  230    HB3  LEU  33           HB1      LEU  33  -8.676  -1.648  -7.880
  231    HG   LEU  33           HG       LEU  33  -7.554  -4.291  -8.809
  232   HD11  LEU  33          HD11      LEU  33 -10.102  -3.628  -7.353
  233   HD12  LEU  33          HD12      LEU  33  -8.702  -4.474  -6.689
  234   HD13  LEU  33          HD13      LEU  33  -9.654  -5.216  -7.974
  235   HD21  LEU  33          HD21      LEU  33  -9.516  -4.385 -10.277
  236   HD22  LEU  33          HD22      LEU  33  -8.474  -3.017 -10.673
  237   HD23  LEU  33          HD23      LEU  33  -9.969  -2.755  -9.775
  238    H    ARG  34           HN       ARG  34  -7.861   0.720  -9.416
  239    HA   ARG  34           HA       ARG  34  -5.672   2.300  -8.438
  240    HB2  ARG  34           HB2      ARG  34  -8.484   2.945  -9.278
  241    HB3  ARG  34           HB1      ARG  34  -7.306   4.154  -8.801
  242    HG2  ARG  34           HG2      ARG  34  -6.601   2.233 -10.965
  243    HG3  ARG  34           HG1      ARG  34  -7.699   3.567 -11.327
  244    HD2  ARG  34           HD2      ARG  34  -4.974   3.880 -10.081
  245    HD3  ARG  34           HD1      ARG  34  -5.310   4.064 -11.803
  246    HE   ARG  34           HE       ARG  34  -6.781   5.724  -9.878
  247   HH11  ARG  34          HH11      ARG  34  -4.384   5.572 -12.493
  248   HH12  ARG  34          HH12      ARG  34  -4.499   7.234 -12.836
  249   HH21  ARG  34          HH21      ARG  34  -6.895   7.938 -10.347
  250   HH22  ARG  34          HH22      ARG  34  -5.890   8.643 -11.545
  251    H    PHE  35           HN       PHE  35  -5.447   3.180  -6.475
  252    HA   PHE  35           HA       PHE  35  -6.673   2.289  -4.181
  253    HB2  PHE  35           HB2      PHE  35  -5.406   4.989  -4.664
  254    HB3  PHE  35           HB1      PHE  35  -5.918   4.428  -3.083
  255    HD1  PHE  35           HD1      PHE  35  -4.944   1.957  -2.543
  256    HD2  PHE  35           HD2      PHE  35  -3.191   4.835  -5.136
  257    HE1  PHE  35           HE1      PHE  35  -2.737   0.936  -2.178
  258    HE2  PHE  35           HE2      PHE  35  -0.985   3.815  -4.784
  259    HZ   PHE  35           HZ       PHE  35  -0.755   1.862  -3.305
  260    H    GLU  36           HN       GLU  36  -7.486   5.192  -6.014
  261    HA   GLU  36           HA       GLU  36  -9.471   6.211  -4.390
  262    HB2  GLU  36           HB2      GLU  36 -10.268   7.414  -6.370
  263    HB3  GLU  36           HB1      GLU  36  -8.525   7.495  -6.174
  264    HG2  GLU  36           HG2      GLU  36  -8.207   5.868  -7.923
  265    HG3  GLU  36           HG1      GLU  36  -9.949   5.634  -8.062
  266    H    ASP  37           HN       ASP  37  -9.727   3.560  -6.684
  267    HA   ASP  37           HA       ASP  37 -12.623   3.641  -6.679
  268    HB2  ASP  37           HB2      ASP  37 -10.682   1.698  -7.937
  269    HB3  ASP  37           HB1      ASP  37 -12.420   1.578  -8.091
  270    H    ILE  38           HN       ILE  38 -10.034   1.982  -5.103
  271    HA   ILE  38           HA       ILE  38 -11.902  -0.007  -4.096
  272    HB   ILE  38           HB       ILE  38  -9.918  -1.222  -3.198
  273   HG12  ILE  38          HG12      ILE  38  -8.360   0.919  -4.687
  274   HG13  ILE  38          HG11      ILE  38  -8.389   0.697  -2.945
  275   HG21  ILE  38          HG21      ILE  38  -9.121  -1.980  -5.395
  276   HG22  ILE  38          HG22      ILE  38  -9.889  -0.573  -6.138
  277   HG23  ILE  38          HG23      ILE  38 -10.876  -1.795  -5.342
  278   HD11  ILE  38          HD11      ILE  38  -6.336  -0.168  -3.914
  279   HD12  ILE  38          HD12      ILE  38  -7.265  -1.242  -4.961
  280   HD13  ILE  38          HD13      ILE  38  -7.289  -1.477  -3.213
  281    H    GLY  39           HN       GLY  39 -11.617   2.838  -3.180
  282    HA2  GLY  39           HA2      GLY  39 -12.458   3.734  -1.198
  283    HA3  GLY  39           HA1      GLY  39 -12.245   2.174  -0.434
  284    H    TYR  40           HN       TYR  40  -9.442   3.256  -2.003
  285    HA   TYR  40           HA       TYR  40  -8.336   3.854   0.610
  286    HB2  TYR  40           HB2      TYR  40  -7.050   2.964  -1.939
  287    HB3  TYR  40           HB1      TYR  40  -6.113   3.706  -0.647
  288    HD1  TYR  40           HD1      TYR  40  -8.443   0.915  -1.345
  289    HD2  TYR  40           HD2      TYR  40  -5.368   2.465   1.121
  290    HE1  TYR  40           HE1      TYR  40  -8.295  -1.234  -0.199
  291    HE2  TYR  40           HE2      TYR  40  -5.190   0.342   2.276
  292    HH   TYR  40           HH       TYR  40  -6.593  -1.654   2.692
  293    H    ASP  41           HN       ASP  41  -8.781   5.846   1.027
  294    HA   ASP  41           HA       ASP  41  -8.054   7.901  -0.871
  295    HB2  ASP  41           HB2      ASP  41  -8.894   9.489   0.723
  296    HB3  ASP  41           HB1      ASP  41 -10.035   8.152   0.712
  297    H    SER  42           HN       SER  42  -6.602   9.622   0.005
  298    HA   SER  42           HA       SER  42  -4.072   8.670   0.293
  299    HB2  SER  42           HB2      SER  42  -3.720  11.133   0.979
  300    HB3  SER  42           HB1      SER  42  -4.365  10.757  -0.632
  301    H    LEU  43           HN       LEU  43  -6.358   9.465   2.924
  302    HA   LEU  43           HA       LEU  43  -4.248   9.500   4.881
  303    HB2  LEU  43           HB2      LEU  43  -6.315  10.900   5.066
  304    HB3  LEU  43           HB1      LEU  43  -7.242   9.441   5.312
  305    HG   LEU  43           HG       LEU  43  -5.025  10.214   7.211
  306   HD11  LEU  43          HD11      LEU  43  -6.723  11.311   8.576
  307   HD12  LEU  43          HD12      LEU  43  -7.910  11.062   7.285
  308   HD13  LEU  43          HD13      LEU  43  -6.503  12.095   7.008
  309   HD21  LEU  43          HD21      LEU  43  -5.949   7.930   7.397
  310   HD22  LEU  43          HD22      LEU  43  -7.568   8.610   7.573
  311   HD23  LEU  43          HD23      LEU  43  -6.348   8.909   8.811
  312    H    ALA  44           HN       ALA  44  -6.766   7.270   3.829
  313    HA   ALA  44           HA       ALA  44  -6.149   5.219   5.700
  314    HB1  ALA  44           HB1      ALA  44  -7.366   3.718   4.175
  315    HB2  ALA  44           HB2      ALA  44  -7.330   4.960   2.924
  316    HB3  ALA  44           HB3      ALA  44  -8.244   5.229   4.408
  317    H    LEU  45           HN       LEU  45  -4.815   6.215   2.710
  318    HA   LEU  45           HA       LEU  45  -3.169   3.934   2.289
  319    HB2  LEU  45           HB2      LEU  45  -3.929   5.301   0.450
  320    HB3  LEU  45           HB1      LEU  45  -3.095   6.691   1.104
  321    HG   LEU  45           HG       LEU  45  -0.940   5.616   0.670
  322   HD11  LEU  45          HD11      LEU  45  -1.630   3.279   0.934
  323   HD12  LEU  45          HD12      LEU  45  -0.841   3.540  -0.620
  324   HD13  LEU  45          HD13      LEU  45  -2.596   3.396  -0.538
  325   HD21  LEU  45          HD21      LEU  45  -2.816   5.619  -1.662
  326   HD22  LEU  45          HD22      LEU  45  -1.051   5.737  -1.758
  327   HD23  LEU  45          HD23      LEU  45  -1.997   7.030  -0.988
  328    H    MET  46           HN       MET  46  -2.673   7.150   3.731
  329    HA   MET  46           HA       MET  46   0.118   6.988   3.963
  330    HB2  MET  46           HB2      MET  46   0.053   8.862   5.449
  331    HB3  MET  46           HB1      MET  46  -1.211   9.102   4.278
  332    HG2  MET  46           HG2      MET  46  -2.179   9.802   6.299
  333    HG3  MET  46           HG1      MET  46  -2.790   8.193   6.054
  334    HE1  MET  46           HE1      MET  46   0.096  10.201   7.912
  335    HE2  MET  46           HE2      MET  46   0.904   8.798   7.213
  336    HE3  MET  46           HE3      MET  46   0.729   8.933   8.962
  337    H    GLU  47           HN       GLU  47  -2.406   5.784   5.978
  338    HA   GLU  47           HA       GLU  47  -0.959   5.070   8.252
  339    HB2  GLU  47           HB2      GLU  47  -3.263   3.822   6.874
  340    HB3  GLU  47           HB1      GLU  47  -2.769   3.331   8.510
  341    HG2  GLU  47           HG2      GLU  47  -3.260   5.735   9.113
  342    HG3  GLU  47           HG1      GLU  47  -3.952   5.896   7.494
  343    H    THR  48           HN       THR  48  -1.804   3.221   5.372
  344    HA   THR  48           HA       THR  48  -0.403   0.880   6.007
  345    HB   THR  48           HB       THR  48  -1.133   1.962   3.273
  346    HG1  THR  48           HG1      THR  48  -3.065   1.757   4.322
  347   HG21  THR  48          HG21      THR  48  -1.094  -0.413   2.605
  348   HG22  THR  48          HG22      THR  48  -0.620  -0.863   4.239
  349   HG23  THR  48          HG23      THR  48   0.475   0.088   3.233
  350    H    ALA  49           HN       ALA  49   0.505   3.759   4.153
  351    HA   ALA  49           HA       ALA  49   3.007   2.952   3.246
  352    HB1  ALA  49           HB1      ALA  49   2.159   5.731   4.080
  353    HB2  ALA  49           HB2      ALA  49   1.887   5.009   2.492
  354    HB3  ALA  49           HB3      ALA  49   3.529   5.334   3.043
  355    H    ALA  50           HN       ALA  50   2.237   4.825   6.183
  356    HA   ALA  50           HA       ALA  50   4.817   4.864   7.266
  357    HB1  ALA  50           HB1      ALA  50   2.999   6.337   7.994
  358    HB2  ALA  50           HB2      ALA  50   3.724   5.487   9.359
  359    HB3  ALA  50           HB3      ALA  50   2.170   4.956   8.714
  360    H    ARG  51           HN       ARG  51   2.217   2.581   7.581
  361    HA   ARG  51           HA       ARG  51   3.167   0.898   9.602
  362    HB2  ARG  51           HB2      ARG  51   0.883   0.915   8.649
  363    HB3  ARG  51           HB1      ARG  51   1.510   0.247   7.160
  364    HG2  ARG  51           HG2      ARG  51   2.024  -1.835   8.288
  365    HG3  ARG  51           HG1      ARG  51   1.504  -1.141   9.834
  366    HD2  ARG  51           HD2      ARG  51  -0.245  -1.486   7.386
  367    HD3  ARG  51           HD1      ARG  51  -0.283  -2.511   8.825
  368    HE   ARG  51           HE       ARG  51  -0.862  -0.401  10.056
  369   HH11  ARG  51          HH11      ARG  51  -1.998  -0.938   6.688
  370   HH12  ARG  51          HH12      ARG  51  -3.169   0.289   6.800
  371   HH21  ARG  51          HH21      ARG  51  -2.563   1.246  10.110
  372   HH22  ARG  51          HH22      ARG  51  -3.533   1.456   8.720
  373    H    LEU  52           HN       LEU  52   3.588   0.735   6.083
  374    HA   LEU  52           HA       LEU  52   5.318  -1.520   6.159
  375    HB2  LEU  52           HB2      LEU  52   4.837   0.538   4.014
  376    HB3  LEU  52           HB1      LEU  52   5.860  -0.868   3.800
  377    HG   LEU  52           HG       LEU  52   2.913  -0.982   4.431
  378   HD11  LEU  52          HD11      LEU  52   4.374  -1.434   1.831
  379   HD12  LEU  52          HD12      LEU  52   3.319  -0.071   2.199
  380   HD13  LEU  52          HD13      LEU  52   2.653  -1.702   2.104
  381   HD21  LEU  52          HD21      LEU  52   3.138  -3.351   3.860
  382   HD22  LEU  52          HD22      LEU  52   4.142  -2.912   5.241
  383   HD23  LEU  52          HD23      LEU  52   4.879  -3.134   3.656
  384    H    GLU  53           HN       GLU  53   5.845   1.961   6.084
  385    HA   GLU  53           HA       GLU  53   8.587   2.009   5.701
  386    HB2  GLU  53           HB2      GLU  53   6.852   3.842   7.318
  387    HB3  GLU  53           HB1      GLU  53   8.563   4.128   7.050
  388    HG2  GLU  53           HG2      GLU  53   8.156   4.171   4.656
  389    HG3  GLU  53           HG1      GLU  53   6.431   3.969   4.945
  390    H    SER  54           HN       SER  54   6.951   2.180   8.857
  391    HA   SER  54           HA       SER  54   9.358   2.014  10.270
  392    HB2  SER  54           HB2      SER  54   6.544   1.448  11.205
  393    HB3  SER  54           HB1      SER  54   7.939   1.771  12.248
  394    HG   SER  54           HG       SER  54   8.067   3.730  10.710
  395    H    ARG  55           HN       ARG  55   7.129  -0.496   9.221
  396    HA   ARG  55           HA       ARG  55   8.261  -2.601  10.735
  397    HB2  ARG  55           HB2      ARG  55   6.036  -2.816   9.853
  398    HB3  ARG  55           HB1      ARG  55   6.614  -2.610   8.209
  399    HG2  ARG  55           HG2      ARG  55   7.767  -4.743   8.332
  400    HG3  ARG  55           HG1      ARG  55   7.232  -4.946  10.003
  401    HD2  ARG  55           HD2      ARG  55   4.938  -5.022   9.315
  402    HD3  ARG  55           HD1      ARG  55   5.375  -4.612   7.657
  403    HE   ARG  55           HE       ARG  55   6.427  -7.064   8.847
  404   HH11  ARG  55          HH11      ARG  55   4.026  -5.620   6.676
  405   HH12  ARG  55          HH12      ARG  55   4.054  -6.974   5.602
  406   HH21  ARG  55          HH21      ARG  55   6.299  -8.907   7.437
  407   HH22  ARG  55          HH22      ARG  55   5.292  -8.859   6.042
  408    H    TYR  56           HN       TYR  56   8.818  -1.555   7.376
  409    HA   TYR  56           HA       TYR  56  10.867  -3.590   7.087
  410    HB2  TYR  56           HB2      TYR  56   9.583  -1.714   5.118
  411    HB3  TYR  56           HB1      TYR  56  10.963  -2.724   4.700
  412    HD1  TYR  56           HD2      TYR  56  10.749  -5.147   4.664
  413    HD2  TYR  56           HD1      TYR  56   7.377  -2.666   5.362
  414    HE1  TYR  56           HE2      TYR  56   9.277  -7.041   4.186
  415    HE2  TYR  56           HE1      TYR  56   5.880  -4.547   4.888
  416    HH   TYR  56           HH       TYR  56   5.848  -6.732   3.842
  417    H    GLY  57           HN       GLY  57  10.789  -0.450   8.137
  418    HA2  GLY  57           HA2      GLY  57  12.565   0.829   8.871
  419    HA3  GLY  57           HA1      GLY  57  13.668  -0.311   8.116
  420    H    VAL  58           HN       VAL  58  11.135   0.916   6.195
  421    HA   VAL  58           HA       VAL  58  13.159   2.253   4.578
  422    HB   VAL  58           HB       VAL  58  11.627   2.113   2.681
  423   HG11  VAL  58          HG11      VAL  58  11.832  -0.498   4.136
  424   HG12  VAL  58          HG12      VAL  58  13.059   0.208   3.070
  425   HG13  VAL  58          HG13      VAL  58  11.499  -0.306   2.416
  426   HG21  VAL  58          HG21      VAL  58   9.496   2.386   3.839
  427   HG22  VAL  58          HG22      VAL  58   9.684   0.800   4.586
  428   HG23  VAL  58          HG23      VAL  58   9.474   0.928   2.840
  429    H    SER  59           HN       SER  59  12.245   4.159   3.280
  430    HA   SER  59           HA       SER  59  10.445   5.767   4.956
  431    HB2  SER  59           HB2      SER  59  13.008   6.784   3.694
  432    HB3  SER  59           HB1      SER  59  11.905   7.696   4.730
  433    HG   SER  59           HG       SER  59  12.867   5.311   5.710
  434    H    ILE  60           HN       ILE  60   8.781   6.319   3.775
  435    HA   ILE  60           HA       ILE  60   9.025   6.399   0.855
  436    HB   ILE  60           HB       ILE  60   6.511   6.269   2.562
  437   HG12  ILE  60          HG12      ILE  60   7.823   4.129   0.856
  438   HG13  ILE  60          HG11      ILE  60   7.856   4.187   2.614
  439   HG21  ILE  60          HG21      ILE  60   6.117   7.426   0.440
  440   HG22  ILE  60          HG22      ILE  60   5.334   5.843   0.433
  441   HG23  ILE  60          HG23      ILE  60   6.846   6.082  -0.442
  442   HD11  ILE  60          HD11      ILE  60   6.218   2.587   1.803
  443   HD12  ILE  60          HD12      ILE  60   5.401   3.863   0.900
  444   HD13  ILE  60          HD13      ILE  60   5.427   3.908   2.663
  445    HA   PRO  61           HA       PRO  61   8.873  10.864   1.390
  446    HB2  PRO  61           HB2      PRO  61   9.231  10.851  -1.529
  447    HB3  PRO  61           HB1      PRO  61  10.267  11.548  -0.278
  448    HG2  PRO  61           HG2      PRO  61  10.999   9.367  -1.660
  449    HG3  PRO  61           HG1      PRO  61  11.422   9.578   0.052
  450    HD2  PRO  61           HD2      PRO  61   9.228   7.946  -1.171
  451    HD3  PRO  61           HD1      PRO  61  10.350   7.517   0.140
  452    H    ASP  62           HN       ASP  62   7.514  12.515   0.685
  453    HA   ASP  62           HA       ASP  62   4.787  11.987   0.451
  454    HB2  ASP  62           HB2      ASP  62   6.201  14.523  -0.419
  455    HB3  ASP  62           HB1      ASP  62   4.517  14.366   0.050
  456    H    ASP  63           HN       ASP  63   7.194  12.817  -1.951
  457    HA   ASP  63           HA       ASP  63   5.408  13.248  -4.127
  458    HB2  ASP  63           HB2      ASP  63   8.366  12.675  -4.068
  459    HB3  ASP  63           HB1      ASP  63   7.484  12.916  -5.563
  460    H    VAL  64           HN       VAL  64   7.005  10.462  -2.887
  461    HA   VAL  64           HA       VAL  64   6.508   8.872  -5.235
  462    HB   VAL  64           HB       VAL  64   7.248   7.953  -2.440
  463   HG11  VAL  64          HG11      VAL  64   6.282   6.187  -3.808
  464   HG12  VAL  64          HG12      VAL  64   8.008   5.909  -3.569
  465   HG13  VAL  64          HG13      VAL  64   7.418   6.552  -5.103
  466   HG21  VAL  64          HG21      VAL  64   8.933   9.468  -3.343
  467   HG22  VAL  64          HG22      VAL  64   9.006   8.519  -4.827
  468   HG23  VAL  64          HG23      VAL  64   9.545   7.815  -3.302
  469    H    ALA  65           HN       ALA  65   5.206   9.060  -1.951
  470    HA   ALA  65           HA       ALA  65   3.212   7.111  -2.235
  471    HB1  ALA  65           HB1      ALA  65   3.995   7.969  -0.082
  472    HB2  ALA  65           HB2      ALA  65   2.239   8.077  -0.225
  473    HB3  ALA  65           HB3      ALA  65   3.232   9.520  -0.427
  474    H    GLY  66           HN       GLY  66   3.245  10.506  -3.109
  475    HA2  GLY  66           HA2      GLY  66   0.426  10.603  -3.622
  476    HA3  GLY  66           HA1      GLY  66   1.609  11.851  -3.978
  477    H    ARG  67           HN       ARG  67   3.189   9.605  -5.476
  478    HA   ARG  67           HA       ARG  67   1.727  10.123  -7.945
  479    HB2  ARG  67           HB2      ARG  67   3.755   9.648  -9.182
  480    HB3  ARG  67           HB1      ARG  67   4.068  10.836  -7.934
  481    HG2  ARG  67           HG2      ARG  67   5.074   9.011  -6.549
  482    HG3  ARG  67           HG1      ARG  67   4.869   7.922  -7.916
  483    HD2  ARG  67           HD2      ARG  67   6.259   9.353  -9.313
  484    HD3  ARG  67           HD1      ARG  67   6.410  10.517  -8.001
  485    HE   ARG  67           HE       ARG  67   7.426   7.772  -7.760
  486   HH11  ARG  67          HH11      ARG  67   7.983  11.310  -7.592
  487   HH12  ARG  67          HH12      ARG  67   9.580  11.192  -7.054
  488   HH21  ARG  67          HH21      ARG  67   9.699   7.618  -7.048
  489   HH22  ARG  67          HH22      ARG  67  10.576   9.045  -6.723
  490    H    VAL  68           HN       VAL  68   2.198   7.578  -5.834
  491    HA   VAL  68           HA       VAL  68   1.929   5.555  -7.870
  492    HB   VAL  68           HB       VAL  68   1.805   3.920  -5.976
  493   HG11  VAL  68          HG11      VAL  68   4.103   5.863  -5.841
  494   HG12  VAL  68          HG12      VAL  68   3.951   4.492  -6.936
  495   HG13  VAL  68          HG13      VAL  68   4.119   4.219  -5.202
  496   HG21  VAL  68          HG21      VAL  68   0.750   5.329  -4.265
  497   HG22  VAL  68          HG22      VAL  68   2.186   6.356  -4.217
  498   HG23  VAL  68          HG23      VAL  68   2.284   4.678  -3.679
  499    H    ASP  69           HN       ASP  69   0.151   5.196  -8.840
  500    HA   ASP  69           HA       ASP  69  -2.395   6.135  -7.762
  501    HB2  ASP  69           HB2      ASP  69  -1.780   4.883 -10.446
  502    HB3  ASP  69           HB1      ASP  69  -3.303   5.625  -9.984
  503    H    THR  70           HN       THR  70  -0.737   3.153  -8.306
  504    HA   THR  70           HA       THR  70  -3.062   1.687  -7.343
  505    HB   THR  70           HB       THR  70  -2.171  -0.202  -8.872
  506    HG1  THR  70           HG1      THR  70  -1.283   1.775 -10.612
  507   HG21  THR  70          HG21      THR  70  -3.457   2.232 -10.128
  508   HG22  THR  70          HG22      THR  70  -4.305   0.935  -9.288
  509   HG23  THR  70          HG23      THR  70  -3.463   0.604 -10.804
  510    HA   PRO  71           HA       PRO  71  -0.374  -0.054  -4.285
  511    HB2  PRO  71           HB2      PRO  71  -1.440  -2.720  -5.077
  512    HB3  PRO  71           HB1      PRO  71  -1.385  -1.961  -3.482
  513    HG2  PRO  71           HG2      PRO  71  -3.672  -2.085  -4.797
  514    HG3  PRO  71           HG1      PRO  71  -3.230  -0.608  -3.915
  515    HD2  PRO  71           HD2      PRO  71  -3.112  -1.172  -6.848
  516    HD3  PRO  71           HD1      PRO  71  -3.630   0.302  -6.005
  517    H    ARG  72           HN       ARG  72  -0.480  -1.622  -7.418
  518    HA   ARG  72           HA       ARG  72   1.779  -3.249  -7.433
  519    HB2  ARG  72           HB2      ARG  72   0.094  -2.904  -9.267
  520    HB3  ARG  72           HB1      ARG  72   0.924  -1.406  -9.654
  521    HG2  ARG  72           HG2      ARG  72   3.015  -2.909  -9.907
  522    HG3  ARG  72           HG1      ARG  72   1.842  -4.225 -10.016
  523    HD2  ARG  72           HD2      ARG  72   2.134  -1.833 -11.813
  524    HD3  ARG  72           HD1      ARG  72   2.281  -3.530 -12.226
  525    HE   ARG  72           HE       ARG  72  -0.085  -3.780 -11.953
  526   HH11  ARG  72          HH11      ARG  72   1.009  -0.348 -11.956
  527   HH12  ARG  72          HH12      ARG  72  -0.486   0.211 -12.553
  528   HH21  ARG  72          HH21      ARG  72  -2.147  -2.853 -12.830
  529   HH22  ARG  72          HH22      ARG  72  -2.235  -1.168 -13.015
  530    H    GLU  73           HN       GLU  73   1.461   0.179  -8.112
  531    HA   GLU  73           HA       GLU  73   4.137   0.721  -8.814
  532    HB2  GLU  73           HB2      GLU  73   2.035   2.594  -7.752
  533    HB3  GLU  73           HB1      GLU  73   3.453   3.030  -8.693
  534    HG2  GLU  73           HG2      GLU  73   1.133   1.374  -9.651
  535    HG3  GLU  73           HG1      GLU  73   1.445   3.061 -10.047
  536    H    LEU  74           HN       LEU  74   2.310   0.977  -5.841
  537    HA   LEU  74           HA       LEU  74   4.342   2.218  -4.307
  538    HB2  LEU  74           HB2      LEU  74   1.868   2.181  -3.784
  539    HB3  LEU  74           HB1      LEU  74   2.019   0.500  -3.351
  540    HG   LEU  74           HG       LEU  74   1.838   2.107  -1.429
  541   HD11  LEU  74          HD11      LEU  74   3.561   1.099  -0.041
  542   HD12  LEU  74          HD12      LEU  74   4.350   0.465  -1.487
  543   HD13  LEU  74          HD13      LEU  74   2.738  -0.097  -1.043
  544   HD21  LEU  74          HD21      LEU  74   3.823   3.398  -0.785
  545   HD22  LEU  74          HD22      LEU  74   3.157   3.935  -2.328
  546   HD23  LEU  74          HD23      LEU  74   4.606   2.933  -2.296
  547    H    LEU  75           HN       LEU  75   3.380  -1.102  -4.924
  548    HA   LEU  75           HA       LEU  75   5.088  -2.531  -3.268
  549    HB2  LEU  75           HB2      LEU  75   3.227  -3.460  -4.612
  550    HB3  LEU  75           HB1      LEU  75   4.166  -3.208  -6.062
  551    HG   LEU  75           HG       LEU  75   5.822  -4.854  -5.229
  552   HD11  LEU  75          HD11      LEU  75   5.184  -6.290  -3.356
  553   HD12  LEU  75          HD12      LEU  75   3.785  -5.260  -3.046
  554   HD13  LEU  75          HD13      LEU  75   5.416  -4.617  -2.856
  555   HD21  LEU  75          HD21      LEU  75   2.971  -5.815  -5.405
  556   HD22  LEU  75          HD22      LEU  75   4.411  -6.810  -5.625
  557   HD23  LEU  75          HD23      LEU  75   4.053  -5.510  -6.763
  558    H    ASP  76           HN       ASP  76   5.619  -1.220  -6.519
  559    HA   ASP  76           HA       ASP  76   8.204  -2.103  -7.076
  560    HB2  ASP  76           HB2      ASP  76   6.870   0.514  -7.772
  561    HB3  ASP  76           HB1      ASP  76   8.520   0.175  -8.249
  562    H    LEU  77           HN       LEU  77   7.184   0.751  -5.311
  563    HA   LEU  77           HA       LEU  77   9.769   1.753  -4.803
  564    HB2  LEU  77           HB2      LEU  77   7.727   3.143  -4.674
  565    HB3  LEU  77           HB1      LEU  77   7.195   2.254  -3.274
  566    HG   LEU  77           HG       LEU  77   8.093   4.559  -2.840
  567   HD11  LEU  77          HD11      LEU  77   9.384   4.013  -0.846
  568   HD12  LEU  77          HD12      LEU  77   9.531   2.343  -1.401
  569   HD13  LEU  77          HD13      LEU  77   7.947   3.001  -0.997
  570   HD21  LEU  77          HD21      LEU  77   9.927   4.587  -4.414
  571   HD22  LEU  77          HD22      LEU  77  10.739   3.295  -3.532
  572   HD23  LEU  77          HD23      LEU  77  10.528   4.876  -2.781
  573    H    ILE  78           HN       ILE  78   7.618  -0.281  -2.885
  574    HA   ILE  78           HA       ILE  78   9.311  -0.367  -0.617
  575    HB   ILE  78           HB       ILE  78   7.253  -2.422  -1.483
  576   HG12  ILE  78          HG12      ILE  78   6.287  -0.193  -1.154
  577   HG13  ILE  78          HG11      ILE  78   5.756  -1.298   0.104
  578   HG21  ILE  78          HG21      ILE  78   7.242  -3.135   0.875
  579   HG22  ILE  78          HG22      ILE  78   8.562  -2.010   1.215
  580   HG23  ILE  78          HG23      ILE  78   8.823  -3.373   0.128
  581   HD11  ILE  78          HD11      ILE  78   7.367  -0.298   1.652
  582   HD12  ILE  78          HD12      ILE  78   6.257   0.906   1.001
  583   HD13  ILE  78          HD13      ILE  78   7.904   0.799   0.377
  584    H    ASN  79           HN       ASN  79   8.958  -2.574  -3.372
  585    HA   ASN  79           HA       ASN  79  10.859  -4.458  -2.469
  586    HB2  ASN  79           HB2      ASN  79   9.744  -3.845  -5.202
  587    HB3  ASN  79           HB1      ASN  79  11.059  -4.994  -5.020
  588   HD21  ASN  79          HD21      ASN  79   8.572  -4.739  -2.569
  589   HD22  ASN  79          HD22      ASN  79   7.791  -6.237  -2.944
  590    H    GLY  80           HN       GLY  80  11.214  -1.540  -4.431
  591    HA2  GLY  80           HA2      GLY  80  13.991  -1.893  -4.933
  592    HA3  GLY  80           HA1      GLY  80  13.085  -0.394  -5.096
  593    H    ALA  81           HN       ALA  81  12.153  -0.235  -2.420
  594    HA   ALA  81           HA       ALA  81  14.376   1.032  -1.201
  595    HB1  ALA  81           HB1      ALA  81  12.842   1.546   0.619
  596    HB2  ALA  81           HB2      ALA  81  11.671   0.398  -0.031
  597    HB3  ALA  81           HB3      ALA  81  12.081   1.850  -0.943
  598    H    LEU  82           HN       LEU  82  13.098  -2.141  -1.016
  599    HA   LEU  82           HA       LEU  82  14.226  -2.782   1.515
  600    HB2  LEU  82           HB2      LEU  82  13.168  -4.551  -0.671
  601    HB3  LEU  82           HB1      LEU  82  13.803  -5.169   0.841
  602    HG   LEU  82           HG       LEU  82  11.414  -3.367   0.526
  603   HD11  LEU  82          HD11      LEU  82  10.994  -5.649  -0.184
  604   HD12  LEU  82          HD12      LEU  82  10.162  -5.297   1.333
  605   HD13  LEU  82          HD13      LEU  82  11.645  -6.253   1.338
  606   HD21  LEU  82          HD21      LEU  82  12.637  -4.580   2.997
  607   HD22  LEU  82          HD22      LEU  82  11.110  -3.698   2.926
  608   HD23  LEU  82          HD23      LEU  82  12.625  -2.869   2.564
  609    H    ALA  83           HN       ALA  83  15.651  -2.314  -1.466
  610    HA   ALA  83           HA       ALA  83  17.712  -4.231  -1.398
  611    HB1  ALA  83           HB1      ALA  83  17.248  -2.867  -3.383
  612    HB2  ALA  83           HB2      ALA  83  18.931  -2.698  -2.887
  613    HB3  ALA  83           HB3      ALA  83  17.770  -1.419  -2.520
  614    H    GLU  84           HN       GLU  84  17.612  -0.867  -0.254
  615    HA   GLU  84           HA       GLU  84  20.019  -1.256   1.332
  616    HB2  GLU  84           HB2      GLU  84  19.432   0.849   0.059
  617    HB3  GLU  84           HB1      GLU  84  18.152   1.105   1.232
  618    HG2  GLU  84           HG2      GLU  84  19.982   2.442   1.890
  619    HG3  GLU  84           HG1      GLU  84  19.922   1.076   3.011
  620    H    ALA  85           HN       ALA  85  16.603  -1.370   1.596
  621    HA   ALA  85           HA       ALA  85  15.092  -1.692   3.199
  622    HB1  ALA  85           HB1      ALA  85  17.432  -2.227   5.071
  623    HB2  ALA  85           HB2      ALA  85  16.576  -3.457   4.141
  624    HB3  ALA  85           HB3      ALA  85  15.738  -2.577   5.422
  625    H    ALA  86           HN       ALA  86  15.640   0.705   2.428
  626    HA   ALA  86           HA       ALA  86  14.884   2.400   4.553
  627    HB1  ALA  86           HB1      ALA  86  17.616   2.823   3.304
  628    HB2  ALA  86           HB2      ALA  86  17.310   2.384   4.984
  629    HB3  ALA  86           HB3      ALA  86  16.795   3.958   4.377
  630    H28  SXH  87          H28B      SXH  87  -4.357  11.609   3.055
  631   H28A  SXH  87          H28A      SXH  87  -5.207  13.015   3.697
  632    H30  SXH  87          H30C      SXH  87  -3.748  12.471   5.676
  633   H30A  SXH  87          H30A      SXH  87  -1.994  12.644   5.545
  634   H30B  SXH  87          H30B      SXH  87  -2.810  11.300   4.748
  635    H31  SXH  87          H31A      SXH  87  -2.030  13.453   1.910
  636   H31A  SXH  87          H31C      SXH  87  -0.969  13.266   3.307
  637   H31B  SXH  87          H31B      SXH  87  -1.792  11.861   2.630
  638    H32  SXH  87          H32A      SXH  87  -4.006  14.902   4.772
  639   HO33  SXH  87          H33A      SXH  87  -2.856  16.278   2.987
  640   HN36  SXH  87          H36A      SXH  87  -2.478  14.627   6.489
  641    H37  SXH  87          H37A      SXH  87   0.219  15.786   6.133
  642   H37A  SXH  87          H37B      SXH  87  -0.908  16.493   7.260
  643    H38  SXH  87          H38A      SXH  87   0.517  15.118   8.501
  644   H38A  SXH  87          H38B      SXH  87  -1.093  14.372   8.510
  645   HN41  SXH  87          H41A      SXH  87   1.053  14.165   5.785
  646    H42  SXH  87          H42A      SXH  87   2.620  11.959   6.341
  647   H42A  SXH  87          H42B      SXH  87   1.120  11.344   5.647
  648    H43  SXH  87          H43A      SXH  87   2.933  13.409   4.372
  649   H43A  SXH  87          H43B      SXH  87   1.500  12.675   3.624
  650    H2   SXH  87           H2A      SXH  87   1.149  11.152   2.131
  651    H2A  SXH  87           H2B      SXH  87   0.067  10.441   3.319
  652    H3   SXH  87           H3A      SXH  87   0.361   8.242   2.354
  653    H3A  SXH  87           H3B      SXH  87   1.525   8.880   1.195
  654    H4   SXH  87           H4B      SXH  87  -0.704   8.542   0.194
  655    H4A  SXH  87           H4A      SXH  87  -1.378   9.693   1.349
  656    H5   SXH  87           H5A      SXH  87   0.769  10.316  -0.696
  657    H5A  SXH  87           H5B      SXH  87   0.023  11.466   0.428
  658    H6   SXH  87           H6C      SXH  87  -0.979  11.601  -1.808
  659    H6A  SXH  87           H6A      SXH  87  -2.152  11.042  -0.614
  660    H6B  SXH  87           H6B      SXH  87  -1.401   9.890  -1.715
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  10.787 -17.172   2.434
    2    H2   MET   1           HT2      MET   1  10.242 -17.170   4.028
    3    H3   MET   1           HT3      MET   1  11.683 -17.961   3.624
    4    HA   MET   1           HA       MET   1  12.072 -15.790   4.681
    5    HB2  MET   1           HB2      MET   1  12.795 -16.013   1.755
    6    HB3  MET   1           HB1      MET   1  13.426 -14.752   2.801
    7    HG2  MET   1           HG2      MET   1  13.807 -17.705   3.211
    8    HG3  MET   1           HG1      MET   1  14.986 -16.613   2.483
    9    HE1  MET   1           HE1      MET   1  15.639 -18.506   4.947
   10    HE2  MET   1           HE2      MET   1  16.571 -17.408   5.964
   11    HE3  MET   1           HE3      MET   1  16.807 -17.408   4.216
   12    H    ALA   2           HN       ALA   2  12.218 -13.390   3.986
   13    HA   ALA   2           HA       ALA   2   9.692 -12.569   2.719
   14    HB1  ALA   2           HB1      ALA   2   9.580 -10.747   4.355
   15    HB2  ALA   2           HB2      ALA   2  11.033 -11.364   5.141
   16    HB3  ALA   2           HB3      ALA   2   9.551 -12.320   5.149
   17    H    THR   3           HN       THR   3  12.465 -12.892   1.751
   18    HA   THR   3           HA       THR   3  13.603 -10.300   1.405
   19    HB   THR   3           HB       THR   3  14.893 -11.679  -0.395
   20    HG1  THR   3           HG1      THR   3  13.073 -13.341  -0.168
   21   HG21  THR   3          HG21      THR   3  14.987 -12.506   2.514
   22   HG22  THR   3          HG22      THR   3  15.817 -11.116   1.819
   23   HG23  THR   3          HG23      THR   3  16.276 -12.751   1.337
   24    H    LEU   4           HN       LEU   4  12.422  -8.888   0.330
   25    HA   LEU   4           HA       LEU   4  11.362  -7.766  -1.278
   26    HB2  LEU   4           HB2      LEU   4  11.614 -10.276  -2.927
   27    HB3  LEU   4           HB1      LEU   4  10.916  -8.785  -3.544
   28    HG   LEU   4           HG       LEU   4  13.780  -9.236  -2.696
   29   HD11  LEU   4          HD11      LEU   4  14.281  -8.872  -5.056
   30   HD12  LEU   4          HD12      LEU   4  12.555  -8.737  -5.398
   31   HD13  LEU   4          HD13      LEU   4  13.224 -10.263  -4.820
   32   HD21  LEU   4          HD21      LEU   4  14.192  -6.959  -3.509
   33   HD22  LEU   4          HD22      LEU   4  13.071  -6.970  -2.149
   34   HD23  LEU   4          HD23      LEU   4  12.464  -6.750  -3.790
   35    H    LEU   5           HN       LEU   5   9.310  -7.229  -1.325
   36    HA   LEU   5           HA       LEU   5   7.519  -8.875   0.163
   37    HB2  LEU   5           HB2      LEU   5   7.782  -6.323   0.181
   38    HB3  LEU   5           HB1      LEU   5   6.896  -6.335  -1.323
   39    HG   LEU   5           HG       LEU   5   5.007  -7.447  -0.098
   40   HD11  LEU   5          HD11      LEU   5   5.020  -7.283   2.334
   41   HD12  LEU   5          HD12      LEU   5   6.683  -6.695   2.289
   42   HD13  LEU   5          HD13      LEU   5   6.311  -8.333   1.753
   43   HD21  LEU   5          HD21      LEU   5   5.898  -4.738   0.890
   44   HD22  LEU   5          HD22      LEU   5   4.256  -5.381   0.962
   45   HD23  LEU   5          HD23      LEU   5   5.007  -5.055  -0.601
   46    H    THR   6           HN       THR   6   5.734  -9.978  -0.634
   47    HA   THR   6           HA       THR   6   5.636 -10.233  -3.534
   48    HB   THR   6           HB       THR   6   4.317 -12.269  -3.151
   49    HG1  THR   6           HG1      THR   6   4.722 -12.083  -0.314
   50   HG21  THR   6          HG21      THR   6   6.032 -13.658  -2.060
   51   HG22  THR   6          HG22      THR   6   6.804 -12.200  -1.432
   52   HG23  THR   6          HG23      THR   6   6.760 -12.495  -3.170
   53    H    THR   7           HN       THR   7   3.318 -10.588  -4.369
   54    HA   THR   7           HA       THR   7   1.745  -8.352  -3.916
   55    HB   THR   7           HB       THR   7   0.793 -11.028  -4.996
   56    HG1  THR   7           HG1      THR   7   1.662  -9.147  -6.803
   57   HG21  THR   7          HG21      THR   7  -0.675  -9.634  -6.391
   58   HG22  THR   7          HG22      THR   7   0.016  -8.176  -5.701
   59   HG23  THR   7          HG23      THR   7  -0.947  -9.255  -4.688
   60    H    ASP   8           HN       ASP   8   1.549 -11.629  -2.582
   61    HA   ASP   8           HA       ASP   8  -0.873 -11.272  -1.127
   62    HB2  ASP   8           HB2      ASP   8   1.360 -13.214  -0.503
   63    HB3  ASP   8           HB1      ASP   8  -0.255 -13.265   0.183
   64    H    ASP   9           HN       ASP   9   2.498 -10.890  -0.214
   65    HA   ASP   9           HA       ASP   9   1.899 -10.256   2.488
   66    HB2  ASP   9           HB2      ASP   9   4.371  -9.739   0.848
   67    HB3  ASP   9           HB1      ASP   9   4.231  -9.235   2.527
   68    H    LEU  10           HN       LEU  10   2.252  -8.345  -0.398
   69    HA   LEU  10           HA       LEU  10   2.046  -5.794   0.787
   70    HB2  LEU  10           HB2      LEU  10   2.705  -6.196  -1.571
   71    HB3  LEU  10           HB1      LEU  10   1.080  -6.743  -1.921
   72    HG   LEU  10           HG       LEU  10   0.260  -4.451  -1.342
   73   HD11  LEU  10          HD11      LEU  10   2.102  -3.732   0.056
   74   HD12  LEU  10          HD12      LEU  10   1.874  -2.624  -1.301
   75   HD13  LEU  10          HD13      LEU  10   3.193  -3.793  -1.328
   76   HD21  LEU  10          HD21      LEU  10   1.001  -3.438  -3.436
   77   HD22  LEU  10          HD22      LEU  10   0.590  -5.141  -3.649
   78   HD23  LEU  10          HD23      LEU  10   2.279  -4.644  -3.567
   79    H    ARG  11           HN       ARG  11  -0.329  -8.041  -0.550
   80    HA   ARG  11           HA       ARG  11  -2.676  -6.726  -0.050
   81    HB2  ARG  11           HB2      ARG  11  -2.833  -8.744  -1.251
   82    HB3  ARG  11           HB1      ARG  11  -2.024  -9.661   0.012
   83    HG2  ARG  11           HG2      ARG  11  -3.930  -9.577   1.413
   84    HG3  ARG  11           HG1      ARG  11  -4.712  -8.379   0.386
   85    HD2  ARG  11           HD2      ARG  11  -5.616 -10.669   0.159
   86    HD3  ARG  11           HD1      ARG  11  -5.036  -9.970  -1.342
   87    HE   ARG  11           HE       ARG  11  -3.059 -11.380  -1.103
   88   HH11  ARG  11          HH11      ARG  11  -5.792 -12.260   0.942
   89   HH12  ARG  11          HH12      ARG  11  -5.624 -13.947   0.722
   90   HH21  ARG  11          HH21      ARG  11  -2.729 -13.738  -1.319
   91   HH22  ARG  11          HH22      ARG  11  -3.858 -14.786  -0.611
   92    H    ARG  12           HN       ARG  12  -0.844  -8.729   2.182
   93    HA   ARG  12           HA       ARG  12  -2.596  -8.599   4.336
   94    HB2  ARG  12           HB2      ARG  12   0.408  -8.773   4.362
   95    HB3  ARG  12           HB1      ARG  12  -0.584  -8.924   5.801
   96    HG2  ARG  12           HG2      ARG  12  -1.728 -10.855   4.635
   97    HG3  ARG  12           HG1      ARG  12  -0.426 -10.763   3.440
   98    HD2  ARG  12           HD2      ARG  12  -0.036 -11.101   6.409
   99    HD3  ARG  12           HD1      ARG  12   0.000 -12.414   5.239
  100    HE   ARG  12           HE       ARG  12   1.993 -11.408   4.300
  101   HH11  ARG  12          HH11      ARG  12   1.069  -9.980   7.439
  102   HH12  ARG  12          HH12      ARG  12   2.670  -9.749   7.946
  103   HH21  ARG  12          HH21      ARG  12   4.124 -11.100   4.997
  104   HH22  ARG  12          HH22      ARG  12   4.497 -10.469   6.562
  105    H    ALA  13           HN       ALA  13   0.034  -6.398   3.510
  106    HA   ALA  13           HA       ALA  13  -0.273  -4.715   5.751
  107    HB1  ALA  13           HB1      ALA  13   1.076  -3.115   4.503
  108    HB2  ALA  13           HB2      ALA  13   0.824  -4.042   3.023
  109    HB3  ALA  13           HB3      ALA  13   1.742  -4.742   4.358
  110    H    LEU  14           HN       LEU  14  -1.635  -4.499   2.427
  111    HA   LEU  14           HA       LEU  14  -3.023  -2.145   2.836
  112    HB2  LEU  14           HB2      LEU  14  -3.194  -4.423   0.932
  113    HB3  LEU  14           HB1      LEU  14  -4.446  -3.206   0.932
  114    HG   LEU  14           HG       LEU  14  -2.667  -2.996  -0.752
  115   HD11  LEU  14          HD11      LEU  14  -2.455  -0.508  -0.501
  116   HD12  LEU  14          HD12      LEU  14  -2.979  -0.671   1.173
  117   HD13  LEU  14          HD13      LEU  14  -4.087  -1.076  -0.139
  118   HD21  LEU  14          HD21      LEU  14  -0.534  -1.890  -0.136
  119   HD22  LEU  14          HD22      LEU  14  -0.687  -3.525   0.504
  120   HD23  LEU  14          HD23      LEU  14  -0.941  -2.136   1.563
  121    H    VAL  15           HN       VAL  15  -4.090  -5.542   3.240
  122    HA   VAL  15           HA       VAL  15  -6.714  -4.725   3.920
  123    HB   VAL  15           HB       VAL  15  -6.199  -7.007   2.992
  124   HG11  VAL  15          HG11      VAL  15  -5.183  -7.657   5.725
  125   HG12  VAL  15          HG12      VAL  15  -4.265  -7.578   4.215
  126   HG13  VAL  15          HG13      VAL  15  -5.506  -8.808   4.423
  127   HG21  VAL  15          HG21      VAL  15  -7.754  -7.017   5.574
  128   HG22  VAL  15          HG22      VAL  15  -7.836  -8.260   4.327
  129   HG23  VAL  15          HG23      VAL  15  -8.382  -6.618   3.972
  130    H    GLU  16           HN       GLU  16  -3.859  -4.767   5.724
  131    HA   GLU  16           HA       GLU  16  -5.144  -4.709   8.301
  132    HB2  GLU  16           HB2      GLU  16  -2.328  -4.066   7.433
  133    HB3  GLU  16           HB1      GLU  16  -2.882  -3.870   9.086
  134    HG2  GLU  16           HG2      GLU  16  -3.360  -6.269   9.194
  135    HG3  GLU  16           HG1      GLU  16  -2.787  -6.448   7.535
  136    H    SER  17           HN       SER  17  -4.230  -2.400   5.856
  137    HA   SER  17           HA       SER  17  -4.482  -0.152   7.634
  138    HB2  SER  17           HB2      SER  17  -2.942  -0.278   5.558
  139    HB3  SER  17           HB1      SER  17  -4.401  -0.061   4.601
  140    HG   SER  17           HG       SER  17  -4.638   1.961   6.073
  141    H    ALA  18           HN       ALA  18  -6.268  -1.125   4.653
  142    HA   ALA  18           HA       ALA  18  -8.594   0.270   5.592
  143    HB1  ALA  18           HB1      ALA  18  -9.695  -0.525   3.569
  144    HB2  ALA  18           HB2      ALA  18  -8.334  -1.594   3.236
  145    HB3  ALA  18           HB3      ALA  18  -8.112   0.157   3.175
  146    H    GLY  19           HN       GLY  19  -8.824  -0.790   7.547
  147    HA2  GLY  19           HA2      GLY  19  -9.997  -3.465   7.283
  148    HA3  GLY  19           HA1      GLY  19  -9.096  -2.949   8.708
  149    H    GLU  20           HN       GLU  20 -10.521  -2.947  10.275
  150    HA   GLU  20           HA       GLU  20 -12.191  -2.338  11.613
  151    HB2  GLU  20           HB2      GLU  20 -12.525  -0.015   9.698
  152    HB3  GLU  20           HB1      GLU  20 -13.203  -0.110  11.320
  153    HG2  GLU  20           HG2      GLU  20 -10.265  -0.100  10.642
  154    HG3  GLU  20           HG1      GLU  20 -11.185   1.273  11.251
  155    H    THR  21           HN       THR  21 -12.631  -3.971   9.194
  156    HA   THR  21           HA       THR  21 -14.211  -5.097   8.104
  157    HB   THR  21           HB       THR  21 -16.165  -4.137  10.246
  158    HG1  THR  21           HG1      THR  21 -15.059  -6.537  10.808
  159   HG21  THR  21          HG21      THR  21 -17.144  -5.476   8.387
  160   HG22  THR  21          HG22      THR  21 -17.194  -6.355   9.913
  161   HG23  THR  21          HG23      THR  21 -15.969  -6.751   8.708
  162    H    ASP  22           HN       ASP  22 -13.664  -2.436   7.277
  163    HA   ASP  22           HA       ASP  22 -16.169  -1.237   6.476
  164    HB2  ASP  22           HB2      ASP  22 -14.219   0.198   6.882
  165    HB3  ASP  22           HB1      ASP  22 -13.347  -0.608   5.583
  166    H    GLY  23           HN       GLY  23 -13.590  -3.058   4.957
  167    HA2  GLY  23           HA2      GLY  23 -15.464  -3.750   2.822
  168    HA3  GLY  23           HA1      GLY  23 -13.856  -3.156   2.410
  169    H    THR  24           HN       THR  24 -15.693  -5.833   3.296
  170    HA   THR  24           HA       THR  24 -13.424  -7.385   4.180
  171    HB   THR  24           HB       THR  24 -15.112  -9.271   4.325
  172    HG1  THR  24           HG1      THR  24 -16.957  -7.163   3.779
  173   HG21  THR  24          HG21      THR  24 -14.589  -7.871   6.274
  174   HG22  THR  24          HG22      THR  24 -16.292  -8.326   6.269
  175   HG23  THR  24          HG23      THR  24 -15.811  -6.702   5.768
  176    H    ASP  25           HN       ASP  25 -13.580  -6.299   1.476
  177    HA   ASP  25           HA       ASP  25 -12.786  -8.664   0.092
  178    HB2  ASP  25           HB2      ASP  25 -14.053  -7.911  -2.007
  179    HB3  ASP  25           HB1      ASP  25 -14.999  -8.656  -0.730
  180    H    LEU  26           HN       LEU  26 -10.845  -8.272  -0.188
  181    HA   LEU  26           HA       LEU  26  -9.822  -6.294  -1.961
  182    HB2  LEU  26           HB2      LEU  26 -10.088  -5.040   0.287
  183    HB3  LEU  26           HB1      LEU  26  -8.953  -6.187   0.963
  184    HG   LEU  26           HG       LEU  26  -7.246  -5.347  -0.657
  185   HD11  LEU  26          HD11      LEU  26  -7.665  -3.213  -1.777
  186   HD12  LEU  26          HD12      LEU  26  -9.339  -3.259  -1.227
  187   HD13  LEU  26          HD13      LEU  26  -8.748  -4.481  -2.353
  188   HD21  LEU  26          HD21      LEU  26  -8.470  -3.296   1.192
  189   HD22  LEU  26          HD22      LEU  26  -6.832  -3.247   0.542
  190   HD23  LEU  26          HD23      LEU  26  -7.303  -4.538   1.645
  191    H    SER  27           HN       SER  27 -10.082  -9.092  -1.728
  192    HA   SER  27           HA       SER  27  -7.568 -10.073  -0.612
  193    HB2  SER  27           HB2      SER  27 -10.061 -11.630  -1.270
  194    HB3  SER  27           HB1      SER  27  -8.661 -12.181  -0.349
  195    HG   SER  27           HG       SER  27 -10.802 -11.144   0.584
  196    H    GLY  28           HN       GLY  28  -6.161 -10.001  -2.227
  197    HA2  GLY  28           HA2      GLY  28  -5.061 -11.249  -3.904
  198    HA3  GLY  28           HA1      GLY  28  -6.624 -11.857  -4.441
  199    H    ASP  29           HN       ASP  29  -8.087  -9.816  -4.967
  200    HA   ASP  29           HA       ASP  29  -6.630  -8.447  -7.062
  201    HB2  ASP  29           HB2      ASP  29  -8.862  -7.886  -7.993
  202    HB3  ASP  29           HB1      ASP  29  -8.620  -9.616  -7.824
  203    H    PHE  30           HN       PHE  30  -5.927  -6.595  -6.746
  204    HA   PHE  30           HA       PHE  30  -7.221  -4.392  -5.560
  205    HB2  PHE  30           HB2      PHE  30  -6.122  -4.144  -3.407
  206    HB3  PHE  30           HB1      PHE  30  -6.822  -5.755  -3.427
  207    HD1  PHE  30           HD1      PHE  30  -5.240  -7.714  -3.999
  208    HD2  PHE  30           HD2      PHE  30  -3.871  -3.825  -2.948
  209    HE1  PHE  30           HE1      PHE  30  -3.018  -8.628  -3.499
  210    HE2  PHE  30           HE2      PHE  30  -1.647  -4.735  -2.448
  211    HZ   PHE  30           HZ       PHE  30  -1.216  -7.138  -2.732
  212    H    LEU  31           HN       LEU  31  -4.343  -6.093  -6.372
  213    HA   LEU  31           HA       LEU  31  -2.324  -4.247  -6.190
  214    HB2  LEU  31           HB2      LEU  31  -2.187  -6.723  -6.544
  215    HB3  LEU  31           HB1      LEU  31  -2.601  -6.473  -8.218
  216    HG   LEU  31           HG       LEU  31  -0.204  -6.975  -7.769
  217   HD11  LEU  31          HD11      LEU  31  -0.694  -4.308  -9.043
  218   HD12  LEU  31          HD12      LEU  31  -0.787  -5.896  -9.816
  219   HD13  LEU  31          HD13      LEU  31   0.759  -5.297  -9.209
  220   HD21  LEU  31          HD21      LEU  31   0.067  -5.801  -5.676
  221   HD22  LEU  31          HD22      LEU  31  -0.191  -4.255  -6.486
  222   HD23  LEU  31          HD23      LEU  31   1.235  -5.221  -6.862
  223    H    ASP  32           HN       ASP  32  -4.507  -4.801  -8.907
  224    HA   ASP  32           HA       ASP  32  -3.309  -2.545 -10.358
  225    HB2  ASP  32           HB2      ASP  32  -4.502  -3.412 -12.320
  226    HB3  ASP  32           HB1      ASP  32  -3.474  -4.645 -11.601
  227    H    LEU  33           HN       LEU  33  -5.516  -2.767  -8.108
  228    HA   LEU  33           HA       LEU  33  -7.661  -1.334  -9.433
  229    HB2  LEU  33           HB2      LEU  33  -7.361  -2.483  -6.666
  230    HB3  LEU  33           HB1      LEU  33  -8.633  -1.342  -7.030
  231    HG   LEU  33           HG       LEU  33  -9.592  -2.921  -8.661
  232   HD11  LEU  33          HD11      LEU  33  -7.432  -4.827  -7.783
  233   HD12  LEU  33          HD12      LEU  33  -7.580  -4.085  -9.376
  234   HD13  LEU  33          HD13      LEU  33  -8.808  -5.218  -8.814
  235   HD21  LEU  33          HD21      LEU  33 -10.363  -2.978  -6.368
  236   HD22  LEU  33          HD22      LEU  33  -9.093  -4.131  -5.953
  237   HD23  LEU  33          HD23      LEU  33 -10.377  -4.598  -7.070
  238    H    ARG  34           HN       ARG  34  -8.271   0.730  -8.916
  239    HA   ARG  34           HA       ARG  34  -6.051   2.486  -8.308
  240    HB2  ARG  34           HB2      ARG  34  -8.946   3.322  -8.542
  241    HB3  ARG  34           HB1      ARG  34  -7.514   4.281  -8.874
  242    HG2  ARG  34           HG2      ARG  34  -8.536   1.974 -10.511
  243    HG3  ARG  34           HG1      ARG  34  -8.669   3.682 -10.914
  244    HD2  ARG  34           HD2      ARG  34  -6.299   3.861 -11.195
  245    HD3  ARG  34           HD1      ARG  34  -6.051   2.235 -10.547
  246    HE   ARG  34           HE       ARG  34  -7.799   2.114 -12.738
  247   HH11  ARG  34          HH11      ARG  34  -4.411   2.905 -12.234
  248   HH12  ARG  34          HH12      ARG  34  -3.849   2.096 -13.621
  249   HH21  ARG  34          HH21      ARG  34  -7.125   1.060 -14.609
  250   HH22  ARG  34          HH22      ARG  34  -5.465   0.962 -15.048
  251    H    PHE  35           HN       PHE  35  -5.654   3.477  -6.376
  252    HA   PHE  35           HA       PHE  35  -6.757   2.570  -4.011
  253    HB2  PHE  35           HB2      PHE  35  -5.219   5.067  -4.607
  254    HB3  PHE  35           HB1      PHE  35  -5.855   4.767  -2.990
  255    HD1  PHE  35           HD1      PHE  35  -5.163   2.729  -1.769
  256    HD2  PHE  35           HD2      PHE  35  -3.289   3.952  -5.373
  257    HE1  PHE  35           HE1      PHE  35  -3.244   1.295  -1.241
  258    HE2  PHE  35           HE2      PHE  35  -1.369   2.516  -4.851
  259    HZ   PHE  35           HZ       PHE  35  -1.341   1.188  -2.787
  260    H    GLU  36           HN       GLU  36  -7.751   5.383  -5.830
  261    HA   GLU  36           HA       GLU  36  -9.589   6.493  -4.052
  262    HB2  GLU  36           HB2      GLU  36  -9.888   6.372  -7.044
  263    HB3  GLU  36           HB1      GLU  36 -10.592   7.557  -5.959
  264    HG2  GLU  36           HG2      GLU  36  -7.678   7.202  -6.581
  265    HG3  GLU  36           HG1      GLU  36  -8.728   8.498  -7.143
  266    H    ASP  37           HN       ASP  37  -9.835   3.660  -6.025
  267    HA   ASP  37           HA       ASP  37 -12.736   3.543  -5.972
  268    HB2  ASP  37           HB2      ASP  37 -11.441   2.845  -7.969
  269    HB3  ASP  37           HB1      ASP  37 -10.708   1.560  -7.023
  270    H    ILE  38           HN       ILE  38 -10.013   2.169  -4.307
  271    HA   ILE  38           HA       ILE  38 -11.762   0.223  -3.033
  272    HB   ILE  38           HB       ILE  38  -9.675  -0.810  -2.110
  273   HG12  ILE  38          HG12      ILE  38  -8.315   1.135  -4.004
  274   HG13  ILE  38          HG11      ILE  38  -8.200   1.171  -2.251
  275   HG21  ILE  38          HG21      ILE  38 -10.786  -1.693  -4.057
  276   HG22  ILE  38          HG22      ILE  38  -9.035  -1.832  -4.254
  277   HG23  ILE  38          HG23      ILE  38  -9.923  -0.560  -5.097
  278   HD11  ILE  38          HD11      ILE  38  -7.172  -1.019  -4.052
  279   HD12  ILE  38          HD12      ILE  38  -7.053  -0.995  -2.292
  280   HD13  ILE  38          HD13      ILE  38  -6.201   0.216  -3.251
  281    H    GLY  39           HN       GLY  39 -11.804   3.030  -2.378
  282    HA2  GLY  39           HA2      GLY  39 -12.439   4.151  -0.453
  283    HA3  GLY  39           HA1      GLY  39 -12.127   2.677   0.446
  284    H    TYR  40           HN       TYR  40  -9.514   3.831  -1.448
  285    HA   TYR  40           HA       TYR  40  -8.222   4.562   1.020
  286    HB2  TYR  40           HB2      TYR  40  -7.207   3.596  -1.572
  287    HB3  TYR  40           HB1      TYR  40  -6.172   4.665  -0.629
  288    HD1  TYR  40           HD1      TYR  40  -7.856   1.403  -0.689
  289    HD2  TYR  40           HD2      TYR  40  -5.233   3.992   1.406
  290    HE1  TYR  40           HE1      TYR  40  -7.167  -0.466   0.748
  291    HE2  TYR  40           HE2      TYR  40  -4.529   2.169   2.833
  292    HH   TYR  40           HH       TYR  40  -5.274  -1.078   2.164
  293    H    ASP  41           HN       ASP  41  -8.675   6.467   1.546
  294    HA   ASP  41           HA       ASP  41  -8.335   8.634  -0.340
  295    HB2  ASP  41           HB2      ASP  41  -9.049  10.088   1.457
  296    HB3  ASP  41           HB1      ASP  41 -10.146   8.713   1.410
  297    H    SER  42           HN       SER  42  -6.949  10.452   0.553
  298    HA   SER  42           HA       SER  42  -4.294   9.901   0.458
  299    HB2  SER  42           HB2      SER  42  -4.080  12.149   1.432
  300    HB3  SER  42           HB1      SER  42  -5.261  12.054   0.109
  301    H    LEU  43           HN       LEU  43  -6.291  10.247   3.403
  302    HA   LEU  43           HA       LEU  43  -4.044  10.158   5.158
  303    HB2  LEU  43           HB2      LEU  43  -6.196  11.380   5.640
  304    HB3  LEU  43           HB1      LEU  43  -6.986   9.836   5.820
  305    HG   LEU  43           HG       LEU  43  -6.481  11.038   7.957
  306   HD11  LEU  43          HD11      LEU  43  -6.850   8.652   8.036
  307   HD12  LEU  43          HD12      LEU  43  -5.622   9.133   9.209
  308   HD13  LEU  43          HD13      LEU  43  -5.145   8.358   7.700
  309   HD21  LEU  43          HD21      LEU  43  -4.183  11.034   8.806
  310   HD22  LEU  43          HD22      LEU  43  -4.362  12.027   7.360
  311   HD23  LEU  43          HD23      LEU  43  -3.620  10.429   7.246
  312    H    ALA  44           HN       ALA  44  -6.482   7.868   4.090
  313    HA   ALA  44           HA       ALA  44  -5.607   5.706   5.727
  314    HB1  ALA  44           HB1      ALA  44  -7.780   5.680   4.588
  315    HB2  ALA  44           HB2      ALA  44  -6.821   4.258   4.171
  316    HB3  ALA  44           HB3      ALA  44  -6.963   5.593   3.026
  317    H    LEU  45           HN       LEU  45  -4.752   6.828   2.551
  318    HA   LEU  45           HA       LEU  45  -2.996   4.786   1.765
  319    HB2  LEU  45           HB2      LEU  45  -3.977   6.412   0.251
  320    HB3  LEU  45           HB1      LEU  45  -3.107   7.703   1.040
  321    HG   LEU  45           HG       LEU  45  -0.984   6.765   0.219
  322   HD11  LEU  45          HD11      LEU  45  -1.014   5.001  -1.470
  323   HD12  LEU  45          HD12      LEU  45  -2.754   4.812  -1.250
  324   HD13  LEU  45          HD13      LEU  45  -1.650   4.415   0.067
  325   HD21  LEU  45          HD21      LEU  45  -1.323   7.395  -2.107
  326   HD22  LEU  45          HD22      LEU  45  -2.212   8.480  -1.016
  327   HD23  LEU  45          HD23      LEU  45  -3.066   7.212  -1.893
  328    H    MET  46           HN       MET  46  -2.429   7.884   3.411
  329    HA   MET  46           HA       MET  46   0.355   7.516   3.572
  330    HB2  MET  46           HB2      MET  46   0.483   9.415   5.027
  331    HB3  MET  46           HB1      MET  46  -0.767   9.755   3.853
  332    HG2  MET  46           HG2      MET  46  -1.670  10.565   5.848
  333    HG3  MET  46           HG1      MET  46  -2.394   8.984   5.680
  334    HE1  MET  46           HE1      MET  46   1.169   9.769   8.524
  335    HE2  MET  46           HE2      MET  46   0.489  11.008   7.467
  336    HE3  MET  46           HE3      MET  46   1.330   9.621   6.772
  337    H    GLU  47           HN       GLU  47  -2.287   6.526   5.617
  338    HA   GLU  47           HA       GLU  47  -0.787   5.676   7.822
  339    HB2  GLU  47           HB2      GLU  47  -3.381   4.801   6.690
  340    HB3  GLU  47           HB1      GLU  47  -2.739   4.059   8.167
  341    HG2  GLU  47           HG2      GLU  47  -2.694   6.479   9.020
  342    HG3  GLU  47           HG1      GLU  47  -3.737   6.827   7.635
  343    H    THR  48           HN       THR  48  -1.744   4.015   4.863
  344    HA   THR  48           HA       THR  48  -0.730   1.483   5.388
  345    HB   THR  48           HB       THR  48  -0.621   2.955   2.738
  346    HG1  THR  48           HG1      THR  48  -2.793   2.191   4.271
  347   HG21  THR  48          HG21      THR  48   0.491   0.770   2.762
  348   HG22  THR  48          HG22      THR  48  -0.980   0.707   1.791
  349   HG23  THR  48          HG23      THR  48  -0.965   0.027   3.417
  350    H    ALA  49           HN       ALA  49   0.774   4.171   3.625
  351    HA   ALA  49           HA       ALA  49   3.309   3.083   3.287
  352    HB1  ALA  49           HB1      ALA  49   2.463   4.996   2.056
  353    HB2  ALA  49           HB2      ALA  49   4.040   5.322   2.775
  354    HB3  ALA  49           HB3      ALA  49   2.577   5.981   3.512
  355    H    ALA  50           HN       ALA  50   2.175   5.277   5.856
  356    HA   ALA  50           HA       ALA  50   4.630   5.586   7.164
  357    HB1  ALA  50           HB1      ALA  50   2.694   7.031   7.559
  358    HB2  ALA  50           HB2      ALA  50   3.328   6.367   9.065
  359    HB3  ALA  50           HB3      ALA  50   1.862   5.694   8.351
  360    H    ARG  51           HN       ARG  51   2.132   3.151   7.462
  361    HA   ARG  51           HA       ARG  51   3.224   1.922   9.786
  362    HB2  ARG  51           HB2      ARG  51   0.838   1.768   8.946
  363    HB3  ARG  51           HB1      ARG  51   1.432   0.674   7.712
  364    HG2  ARG  51           HG2      ARG  51   2.143  -0.897   9.423
  365    HG3  ARG  51           HG1      ARG  51   1.596   0.220  10.680
  366    HD2  ARG  51           HD2      ARG  51  -0.090  -1.125   8.583
  367    HD3  ARG  51           HD1      ARG  51  -0.112  -1.450  10.314
  368    HE   ARG  51           HE       ARG  51  -0.653   1.279   9.834
  369   HH11  ARG  51          HH11      ARG  51  -2.202  -1.877   9.934
  370   HH12  ARG  51          HH12      ARG  51  -3.785  -1.286   9.748
  371   HH21  ARG  51          HH21      ARG  51  -2.802   2.140   9.723
  372   HH22  ARG  51          HH22      ARG  51  -4.151   1.131   9.677
  373    H    LEU  52           HN       LEU  52   3.506   1.483   6.318
  374    HA   LEU  52           HA       LEU  52   5.076  -0.862   6.305
  375    HB2  LEU  52           HB2      LEU  52   5.069   1.438   4.349
  376    HB3  LEU  52           HB1      LEU  52   5.808  -0.124   4.061
  377    HG   LEU  52           HG       LEU  52   2.858   0.349   4.466
  378   HD11  LEU  52          HD11      LEU  52   2.672  -0.121   2.080
  379   HD12  LEU  52          HD12      LEU  52   4.432  -0.201   1.963
  380   HD13  LEU  52          HD13      LEU  52   3.645   1.318   2.390
  381   HD21  LEU  52          HD21      LEU  52   3.579  -1.865   5.182
  382   HD22  LEU  52          HD22      LEU  52   4.380  -2.115   3.632
  383   HD23  LEU  52          HD23      LEU  52   2.624  -1.956   3.702
  384    H    GLU  53           HN       GLU  53   5.896   2.563   6.445
  385    HA   GLU  53           HA       GLU  53   8.651   2.337   6.326
  386    HB2  GLU  53           HB2      GLU  53   6.986   4.396   7.778
  387    HB3  GLU  53           HB1      GLU  53   8.720   4.529   7.528
  388    HG2  GLU  53           HG2      GLU  53   8.355   4.487   5.113
  389    HG3  GLU  53           HG1      GLU  53   6.619   4.423   5.373
  390    H    SER  54           HN       SER  54   6.611   2.552   9.267
  391    HA   SER  54           HA       SER  54   8.774   2.157  11.004
  392    HB2  SER  54           HB2      SER  54   6.933   1.699  12.715
  393    HB3  SER  54           HB1      SER  54   6.898   3.266  11.912
  394    HG   SER  54           HG       SER  54   4.988   2.800  11.363
  395    H    ARG  55           HN       ARG  55   6.472  -0.117   9.611
  396    HA   ARG  55           HA       ARG  55   7.313  -2.325  11.147
  397    HB2  ARG  55           HB2      ARG  55   5.160  -2.327  10.066
  398    HB3  ARG  55           HB1      ARG  55   5.916  -2.238   8.482
  399    HG2  ARG  55           HG2      ARG  55   6.884  -4.443   8.804
  400    HG3  ARG  55           HG1      ARG  55   6.170  -4.532  10.414
  401    HD2  ARG  55           HD2      ARG  55   4.619  -4.231   7.849
  402    HD3  ARG  55           HD1      ARG  55   4.883  -5.755   8.697
  403    HE   ARG  55           HE       ARG  55   3.808  -3.882  10.472
  404   HH11  ARG  55          HH11      ARG  55   2.785  -5.746   7.631
  405   HH12  ARG  55          HH12      ARG  55   1.163  -5.912   8.180
  406   HH21  ARG  55          HH21      ARG  55   1.576  -4.126  11.177
  407   HH22  ARG  55          HH22      ARG  55   0.501  -5.013  10.193
  408    H    TYR  56           HN       TYR  56   8.176  -1.412   7.796
  409    HA   TYR  56           HA       TYR  56   9.934  -3.704   7.699
  410    HB2  TYR  56           HB2      TYR  56   9.207  -1.665   5.600
  411    HB3  TYR  56           HB1      TYR  56  10.316  -3.007   5.326
  412    HD1  TYR  56           HD1      TYR  56   6.814  -2.096   5.998
  413    HD2  TYR  56           HD2      TYR  56   9.507  -5.248   5.072
  414    HE1  TYR  56           HE1      TYR  56   4.916  -3.565   5.507
  415    HE2  TYR  56           HE2      TYR  56   7.612  -6.725   4.576
  416    HH   TYR  56           HH       TYR  56   5.298  -6.919   5.126
  417    H    GLY  57           HN       GLY  57  10.257  -0.379   8.393
  418    HA2  GLY  57           HA2      GLY  57  12.165   0.711   9.116
  419    HA3  GLY  57           HA1      GLY  57  13.121  -0.703   8.661
  420    H    VAL  58           HN       VAL  58  10.979   1.560   7.008
  421    HA   VAL  58           HA       VAL  58  13.062   2.104   5.051
  422    HB   VAL  58           HB       VAL  58  11.482   1.986   3.164
  423   HG11  VAL  58          HG11      VAL  58  12.798   0.002   3.613
  424   HG12  VAL  58          HG12      VAL  58  11.197  -0.427   2.994
  425   HG13  VAL  58          HG13      VAL  58  11.547  -0.584   4.715
  426   HG21  VAL  58          HG21      VAL  58   9.399   2.445   4.338
  427   HG22  VAL  58          HG22      VAL  58   9.496   0.885   5.156
  428   HG23  VAL  58          HG23      VAL  58   9.261   0.952   3.408
  429    H    SER  59           HN       SER  59  12.212   3.972   3.566
  430    HA   SER  59           HA       SER  59  10.602   5.826   5.129
  431    HB2  SER  59           HB2      SER  59  13.314   6.441   3.925
  432    HB3  SER  59           HB1      SER  59  12.221   7.641   4.616
  433    HG   SER  59           HG       SER  59  13.438   5.448   5.992
  434    H    ILE  60           HN       ILE  60   8.988   6.355   3.927
  435    HA   ILE  60           HA       ILE  60   9.201   6.240   1.007
  436    HB   ILE  60           HB       ILE  60   6.732   6.179   2.770
  437   HG12  ILE  60          HG12      ILE  60   8.032   3.991   1.126
  438   HG13  ILE  60          HG11      ILE  60   8.103   4.127   2.878
  439   HG21  ILE  60          HG21      ILE  60   5.506   5.659   0.699
  440   HG22  ILE  60          HG22      ILE  60   6.988   5.879  -0.229
  441   HG23  ILE  60          HG23      ILE  60   6.270   7.246   0.620
  442   HD11  ILE  60          HD11      ILE  60   5.685   3.818   2.997
  443   HD12  ILE  60          HD12      ILE  60   6.471   2.471   2.172
  444   HD13  ILE  60          HD13      ILE  60   5.615   3.701   1.241
  445    HA   PRO  61           HA       PRO  61   9.055  10.746   1.217
  446    HB2  PRO  61           HB2      PRO  61   9.065  10.477  -1.721
  447    HB3  PRO  61           HB1      PRO  61  10.222  11.300  -0.670
  448    HG2  PRO  61           HG2      PRO  61  10.845   9.015  -1.921
  449    HG3  PRO  61           HG1      PRO  61  11.452   9.390  -0.298
  450    HD2  PRO  61           HD2      PRO  61   9.200   7.598  -1.113
  451    HD3  PRO  61           HD1      PRO  61  10.454   7.341   0.118
  452    H    ASP  62           HN       ASP  62   7.493  12.255   0.799
  453    HA   ASP  62           HA       ASP  62   4.804  11.419   0.608
  454    HB2  ASP  62           HB2      ASP  62   4.145  13.718   0.696
  455    HB3  ASP  62           HB1      ASP  62   5.583  13.569   1.690
  456    H    ASP  63           HN       ASP  63   7.037  12.325  -1.855
  457    HA   ASP  63           HA       ASP  63   5.224  12.969  -3.942
  458    HB2  ASP  63           HB2      ASP  63   7.455  13.705  -4.198
  459    HB3  ASP  63           HB1      ASP  63   8.107  12.112  -3.863
  460    H    VAL  64           HN       VAL  64   6.057  10.012  -2.517
  461    HA   VAL  64           HA       VAL  64   5.680   8.418  -4.844
  462    HB   VAL  64           HB       VAL  64   5.732   7.633  -1.908
  463   HG11  VAL  64          HG11      VAL  64   4.507   5.963  -3.198
  464   HG12  VAL  64          HG12      VAL  64   6.071   5.332  -2.674
  465   HG13  VAL  64          HG13      VAL  64   5.841   5.857  -4.345
  466   HG21  VAL  64          HG21      VAL  64   7.823   8.549  -2.703
  467   HG22  VAL  64          HG22      VAL  64   7.818   7.430  -4.066
  468   HG23  VAL  64          HG23      VAL  64   7.979   6.815  -2.419
  469    H    ALA  65           HN       ALA  65   3.596   9.815  -2.466
  470    HA   ALA  65           HA       ALA  65   1.410   8.063  -2.631
  471    HB1  ALA  65           HB1      ALA  65   0.086   9.869  -1.707
  472    HB2  ALA  65           HB2      ALA  65   1.375  11.019  -2.085
  473    HB3  ALA  65           HB3      ALA  65   1.647   9.744  -0.894
  474    H    GLY  66           HN       GLY  66   2.005  11.105  -4.391
  475    HA2  GLY  66           HA2      GLY  66  -0.367  10.866  -5.931
  476    HA3  GLY  66           HA1      GLY  66   0.931  12.012  -6.178
  477    H    ARG  67           HN       ARG  67   2.518   9.221  -6.253
  478    HA   ARG  67           HA       ARG  67   2.083   9.053  -9.136
  479    HB2  ARG  67           HB2      ARG  67   4.341   8.276  -9.415
  480    HB3  ARG  67           HB1      ARG  67   4.345   9.752  -8.476
  481    HG2  ARG  67           HG2      ARG  67   4.539   8.256  -6.428
  482    HG3  ARG  67           HG1      ARG  67   4.899   6.952  -7.562
  483    HD2  ARG  67           HD2      ARG  67   6.416   9.519  -7.151
  484    HD3  ARG  67           HD1      ARG  67   6.984   7.873  -6.878
  485    HE   ARG  67           HE       ARG  67   6.619   7.635  -9.390
  486   HH11  ARG  67          HH11      ARG  67   7.742  10.690  -7.815
  487   HH12  ARG  67          HH12      ARG  67   8.462  11.223  -9.272
  488   HH21  ARG  67          HH21      ARG  67   7.684   8.522 -11.309
  489   HH22  ARG  67          HH22      ARG  67   8.438  10.053 -11.178
  490    H    VAL  68           HN       VAL  68   1.781   7.265  -6.213
  491    HA   VAL  68           HA       VAL  68   1.572   4.765  -7.553
  492    HB   VAL  68           HB       VAL  68   1.255   5.686  -4.699
  493   HG11  VAL  68          HG11      VAL  68   1.064   3.366  -4.100
  494   HG12  VAL  68          HG12      VAL  68   1.084   2.930  -5.831
  495   HG13  VAL  68          HG13      VAL  68  -0.232   3.922  -5.166
  496   HG21  VAL  68          HG21      VAL  68   3.548   5.625  -5.493
  497   HG22  VAL  68          HG22      VAL  68   3.326   3.959  -6.031
  498   HG23  VAL  68          HG23      VAL  68   3.262   4.349  -4.312
  499    H    ASP  69           HN       ASP  69  -0.147   4.814  -8.797
  500    HA   ASP  69           HA       ASP  69  -2.710   5.828  -7.840
  501    HB2  ASP  69           HB2      ASP  69  -2.277   6.499 -10.049
  502    HB3  ASP  69           HB1      ASP  69  -1.631   4.931 -10.496
  503    H    THR  70           HN       THR  70  -0.974   2.924  -8.344
  504    HA   THR  70           HA       THR  70  -3.214   1.375  -7.309
  505    HB   THR  70           HB       THR  70  -2.581  -0.531  -8.818
  506    HG1  THR  70           HG1      THR  70  -0.719   1.347  -9.745
  507   HG21  THR  70          HG21      THR  70  -3.428   1.963 -10.299
  508   HG22  THR  70          HG22      THR  70  -4.494   0.858  -9.435
  509   HG23  THR  70          HG23      THR  70  -3.639   0.311 -10.876
  510    HA   PRO  71           HA       PRO  71  -0.287  -0.184  -4.357
  511    HB2  PRO  71           HB2      PRO  71  -1.259  -2.880  -5.220
  512    HB3  PRO  71           HB1      PRO  71  -1.056  -2.228  -3.585
  513    HG2  PRO  71           HG2      PRO  71  -3.470  -2.354  -4.633
  514    HG3  PRO  71           HG1      PRO  71  -2.968  -0.908  -3.735
  515    HD2  PRO  71           HD2      PRO  71  -3.227  -1.316  -6.684
  516    HD3  PRO  71           HD1      PRO  71  -3.606   0.117  -5.705
  517    H    ARG  72           HN       ARG  72  -0.355  -1.571  -7.554
  518    HA   ARG  72           HA       ARG  72   1.952  -3.049  -7.719
  519    HB2  ARG  72           HB2      ARG  72   0.408  -2.888  -9.527
  520    HB3  ARG  72           HB1      ARG  72   0.707  -1.167  -9.700
  521    HG2  ARG  72           HG2      ARG  72   3.011  -1.678 -10.426
  522    HG3  ARG  72           HG1      ARG  72   2.629  -3.402 -10.326
  523    HD2  ARG  72           HD2      ARG  72   2.401  -2.441 -12.615
  524    HD3  ARG  72           HD1      ARG  72   0.925  -3.184 -11.990
  525    HE   ARG  72           HE       ARG  72   1.061  -0.398 -11.397
  526   HH11  ARG  72          HH11      ARG  72   0.289  -2.608 -14.068
  527   HH12  ARG  72          HH12      ARG  72  -0.874  -1.535 -14.729
  528   HH21  ARG  72          HH21      ARG  72  -0.551   0.939 -12.260
  529   HH22  ARG  72          HH22      ARG  72  -1.353   0.528 -13.702
  530    H    GLU  73           HN       GLU  73   1.676   0.503  -8.156
  531    HA   GLU  73           HA       GLU  73   4.426   0.937  -8.691
  532    HB2  GLU  73           HB2      GLU  73   2.337   2.850  -7.619
  533    HB3  GLU  73           HB1      GLU  73   3.970   3.335  -8.011
  534    HG2  GLU  73           HG2      GLU  73   2.571   4.003  -9.797
  535    HG3  GLU  73           HG1      GLU  73   3.517   2.636 -10.370
  536    H    LEU  74           HN       LEU  74   2.539   0.907  -5.796
  537    HA   LEU  74           HA       LEU  74   4.504   1.896  -4.011
  538    HB2  LEU  74           HB2      LEU  74   2.037   1.907  -3.620
  539    HB3  LEU  74           HB1      LEU  74   2.068   0.173  -3.470
  540    HG   LEU  74           HG       LEU  74   1.834   1.485  -1.333
  541   HD11  LEU  74          HD11      LEU  74   2.493  -0.832  -1.272
  542   HD12  LEU  74          HD12      LEU  74   3.332   0.086  -0.022
  543   HD13  LEU  74          HD13      LEU  74   4.180  -0.380  -1.500
  544   HD21  LEU  74          HD21      LEU  74   3.392   3.281  -1.825
  545   HD22  LEU  74          HD22      LEU  74   4.733   2.138  -1.845
  546   HD23  LEU  74          HD23      LEU  74   3.862   2.446  -0.343
  547    H    LEU  75           HN       LEU  75   3.498  -1.353  -4.967
  548    HA   LEU  75           HA       LEU  75   5.112  -2.888  -3.298
  549    HB2  LEU  75           HB2      LEU  75   3.340  -3.801  -4.740
  550    HB3  LEU  75           HB1      LEU  75   4.301  -3.444  -6.157
  551    HG   LEU  75           HG       LEU  75   5.998  -5.082  -5.379
  552   HD11  LEU  75          HD11      LEU  75   3.965  -5.716  -3.249
  553   HD12  LEU  75          HD12      LEU  75   5.556  -4.998  -2.995
  554   HD13  LEU  75          HD13      LEU  75   5.420  -6.652  -3.596
  555   HD21  LEU  75          HD21      LEU  75   4.291  -5.745  -6.983
  556   HD22  LEU  75          HD22      LEU  75   3.196  -6.160  -5.665
  557   HD23  LEU  75          HD23      LEU  75   4.680  -7.080  -5.902
  558    H    ASP  76           HN       ASP  76   5.808  -1.587  -6.512
  559    HA   ASP  76           HA       ASP  76   8.434  -2.531  -6.692
  560    HB2  ASP  76           HB2      ASP  76   7.443  -1.719  -8.689
  561    HB3  ASP  76           HB1      ASP  76   7.142  -0.135  -7.980
  562    H    LEU  77           HN       LEU  77   7.245   0.484  -5.334
  563    HA   LEU  77           HA       LEU  77   9.759   1.662  -4.823
  564    HB2  LEU  77           HB2      LEU  77   7.495   2.812  -4.860
  565    HB3  LEU  77           HB1      LEU  77   7.166   2.093  -3.306
  566    HG   LEU  77           HG       LEU  77   7.768   4.502  -3.215
  567   HD11  LEU  77          HD11      LEU  77   9.717   2.734  -1.766
  568   HD12  LEU  77          HD12      LEU  77   8.104   3.187  -1.217
  569   HD13  LEU  77          HD13      LEU  77   9.358   4.416  -1.373
  570   HD21  LEU  77          HD21      LEU  77  10.100   5.186  -3.546
  571   HD22  LEU  77          HD22      LEU  77   9.357   4.589  -5.031
  572   HD23  LEU  77          HD23      LEU  77  10.478   3.567  -4.132
  573    H    ILE  78           HN       ILE  78   7.618  -0.327  -2.847
  574    HA   ILE  78           HA       ILE  78   9.226  -0.315  -0.531
  575    HB   ILE  78           HB       ILE  78   7.009  -2.170  -1.428
  576   HG12  ILE  78          HG12      ILE  78   6.346   0.110  -0.875
  577   HG13  ILE  78          HG11      ILE  78   5.716  -1.030   0.309
  578   HG21  ILE  78          HG21      ILE  78   8.471  -3.471   0.031
  579   HG22  ILE  78          HG22      ILE  78   6.950  -3.099   0.843
  580   HG23  ILE  78          HG23      ILE  78   8.409  -2.196   1.250
  581   HD11  ILE  78          HD11      ILE  78   7.495  -0.381   1.871
  582   HD12  ILE  78          HD12      ILE  78   6.531   1.007   1.379
  583   HD13  ILE  78          HD13      ILE  78   8.127   0.751   0.675
  584    H    ASN  79           HN       ASN  79   8.926  -2.715  -3.153
  585    HA   ASN  79           HA       ASN  79  10.785  -4.490  -2.049
  586    HB2  ASN  79           HB2      ASN  79   9.861  -4.139  -4.891
  587    HB3  ASN  79           HB1      ASN  79  11.086  -5.330  -4.466
  588   HD21  ASN  79          HD21      ASN  79   9.726  -7.047  -5.058
  589   HD22  ASN  79          HD22      ASN  79   8.375  -7.495  -4.063
  590    H    GLY  80           HN       GLY  80  11.302  -1.742  -4.176
  591    HA2  GLY  80           HA2      GLY  80  14.052  -2.154  -4.607
  592    HA3  GLY  80           HA1      GLY  80  13.239  -0.592  -4.632
  593    H    ALA  81           HN       ALA  81  12.283  -0.599  -2.013
  594    HA   ALA  81           HA       ALA  81  14.595   0.335  -0.639
  595    HB1  ALA  81           HB1      ALA  81  12.418   1.428  -0.410
  596    HB2  ALA  81           HB2      ALA  81  13.048   0.915   1.157
  597    HB3  ALA  81           HB3      ALA  81  11.774  -0.015   0.370
  598    H    LEU  82           HN       LEU  82  12.514  -2.503  -0.330
  599    HA   LEU  82           HA       LEU  82  13.638  -3.501   2.053
  600    HB2  LEU  82           HB2      LEU  82  12.264  -4.981  -0.177
  601    HB3  LEU  82           HB1      LEU  82  12.736  -5.719   1.340
  602    HG   LEU  82           HG       LEU  82  10.705  -3.527   0.963
  603   HD11  LEU  82          HD11      LEU  82  10.443  -6.402   1.819
  604   HD12  LEU  82          HD12      LEU  82   9.937  -5.726   0.271
  605   HD13  LEU  82          HD13      LEU  82   9.135  -5.223   1.759
  606   HD21  LEU  82          HD21      LEU  82  10.294  -3.759   3.369
  607   HD22  LEU  82          HD22      LEU  82  11.937  -3.204   3.041
  608   HD23  LEU  82          HD23      LEU  82  11.647  -4.885   3.490
  609    H    ALA  83           HN       ALA  83  14.609  -3.852  -1.272
  610    HA   ALA  83           HA       ALA  83  16.465  -5.929  -0.890
  611    HB1  ALA  83           HB1      ALA  83  17.381  -5.279  -3.047
  612    HB2  ALA  83           HB2      ALA  83  16.495  -3.755  -2.980
  613    HB3  ALA  83           HB3      ALA  83  15.619  -5.282  -3.094
  614    H    GLU  84           HN       GLU  84  16.583  -2.608  -0.047
  615    HA   GLU  84           HA       GLU  84  19.450  -2.841   0.516
  616    HB2  GLU  84           HB2      GLU  84  19.477  -0.333   0.353
  617    HB3  GLU  84           HB1      GLU  84  19.163  -1.170  -1.162
  618    HG2  GLU  84           HG2      GLU  84  16.750  -0.724  -0.852
  619    HG3  GLU  84           HG1      GLU  84  17.137   0.189   0.601
  620    H    ALA  85           HN       ALA  85  16.897  -3.453   2.103
  621    HA   ALA  85           HA       ALA  85  17.637  -1.860   4.449
  622    HB1  ALA  85           HB1      ALA  85  15.480  -1.077   3.581
  623    HB2  ALA  85           HB2      ALA  85  15.311  -1.822   5.168
  624    HB3  ALA  85           HB3      ALA  85  14.833  -2.710   3.720
  625    H    ALA  86           HN       ALA  86  17.067  -2.853   6.472
  626    HA   ALA  86           HA       ALA  86  17.266  -5.767   6.377
  627    HB1  ALA  86           HB1      ALA  86  18.499  -5.602   8.494
  628    HB2  ALA  86           HB2      ALA  86  18.379  -3.846   8.424
  629    HB3  ALA  86           HB3      ALA  86  19.319  -4.714   7.210
  630    H28  SXH  87          H28B      SXH  87  -3.591  12.717   3.162
  631   H28A  SXH  87          H28A      SXH  87  -4.082  13.883   4.396
  632    H30  SXH  87          H30C      SXH  87  -1.599  13.689   4.897
  633   H30A  SXH  87          H30A      SXH  87  -0.417  14.271   3.724
  634   H30B  SXH  87          H30B      SXH  87  -1.303  12.775   3.418
  635    H31  SXH  87          H31A      SXH  87  -2.018  13.617   1.252
  636   H31A  SXH  87          H31C      SXH  87  -2.944  15.113   1.128
  637   H31B  SXH  87          H31B      SXH  87  -1.218  15.172   1.486
  638    H32  SXH  87          H32A      SXH  87  -2.497  15.993   4.824
  639   HO33  SXH  87          H33A      SXH  87  -3.468  17.362   2.743
  640   HN36  SXH  87          H36A      SXH  87  -0.154  15.949   4.348
  641    H37  SXH  87          H37A      SXH  87   0.669  18.292   2.702
  642   H37A  SXH  87          H37B      SXH  87   1.332  17.952   4.297
  643    H38  SXH  87          H38A      SXH  87   2.909  17.262   2.623
  644   H38A  SXH  87          H38B      SXH  87   2.272  15.829   3.444
  645   HN41  SXH  87          H41A      SXH  87   2.079  14.272   2.118
  646    H42  SXH  87          H42A      SXH  87   0.616  14.466  -0.369
  647   H42A  SXH  87          H42B      SXH  87   2.295  13.926  -0.493
  648    H43  SXH  87          H43A      SXH  87   0.726  12.037  -0.339
  649   H43A  SXH  87          H43B      SXH  87   0.172  12.639   1.239
  650    H2   SXH  87           H2A      SXH  87   1.806   8.593   2.956
  651    H2A  SXH  87           H2B      SXH  87   3.141   9.750   3.067
  652    H3   SXH  87           H3A      SXH  87   3.888   7.818   1.861
  653    H3A  SXH  87           H3B      SXH  87   3.698   9.124   0.690
  654    H4   SXH  87           H4B      SXH  87   1.646   6.960   1.209
  655    H4A  SXH  87           H4A      SXH  87   1.546   8.238   0.003
  656    H5   SXH  87           H5A      SXH  87   3.684   6.099   0.069
  657    H5A  SXH  87           H5B      SXH  87   3.463   7.344  -1.173
  658    H6   SXH  87           H6C      SXH  87   1.256   6.409  -1.689
  659    H6A  SXH  87           H6A      SXH  87   1.491   5.180  -0.449
  660    H6B  SXH  87           H6B      SXH  87   2.521   5.196  -1.881
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  15.684 -10.108  -0.470
    2    H2   MET   1           HT2      MET   1  16.427  -8.668  -0.879
    3    H3   MET   1           HT3      MET   1  15.417  -8.740   0.482
    4    HA   MET   1           HA       MET   1  17.963 -10.216   0.128
    5    HB2  MET   1           HB2      MET   1  18.366  -7.841   0.524
    6    HB3  MET   1           HB1      MET   1  17.272  -7.859   1.899
    7    HG2  MET   1           HG2      MET   1  18.784  -9.330   3.107
    8    HG3  MET   1           HG1      MET   1  19.860  -9.389   1.714
    9    HE1  MET   1           HE1      MET   1  21.378  -7.420   0.916
   10    HE2  MET   1           HE2      MET   1  21.283  -5.776   1.552
   11    HE3  MET   1           HE3      MET   1  19.928  -6.453   0.647
   12    H    ALA   2           HN       ALA   2  15.292  -9.334   2.288
   13    HA   ALA   2           HA       ALA   2  15.572 -11.950   3.539
   14    HB1  ALA   2           HB1      ALA   2  16.582 -10.323   5.060
   15    HB2  ALA   2           HB2      ALA   2  15.066 -10.931   5.722
   16    HB3  ALA   2           HB3      ALA   2  15.128  -9.328   4.988
   17    H    THR   3           HN       THR   3  13.528  -9.053   3.778
   18    HA   THR   3           HA       THR   3  11.191 -10.712   3.424
   19    HB   THR   3           HB       THR   3  10.254  -8.455   4.333
   20    HG1  THR   3           HG1      THR   3  11.732  -7.208   5.309
   21   HG21  THR   3          HG21      THR   3  11.953 -10.286   6.050
   22   HG22  THR   3          HG22      THR   3  10.284 -10.593   5.577
   23   HG23  THR   3          HG23      THR   3  10.665  -9.230   6.628
   24    H    LEU   4           HN       LEU   4  10.812 -10.718   1.214
   25    HA   LEU   4           HA       LEU   4  10.724  -8.132  -0.144
   26    HB2  LEU   4           HB2      LEU   4  10.387 -10.946  -1.210
   27    HB3  LEU   4           HB1      LEU   4  10.183  -9.500  -2.178
   28    HG   LEU   4           HG       LEU   4  12.753 -10.426  -0.895
   29   HD11  LEU   4          HD11      LEU   4  12.075 -11.792  -2.783
   30   HD12  LEU   4          HD12      LEU   4  13.472 -10.800  -3.199
   31   HD13  LEU   4          HD13      LEU   4  11.865 -10.347  -3.769
   32   HD21  LEU   4          HD21      LEU   4  13.792  -8.591  -2.142
   33   HD22  LEU   4          HD22      LEU   4  12.612  -7.980  -0.983
   34   HD23  LEU   4          HD23      LEU   4  12.203  -8.065  -2.698
   35    H    LEU   5           HN       LEU   5   8.811  -7.187  -0.535
   36    HA   LEU   5           HA       LEU   5   6.532  -8.320   0.835
   37    HB2  LEU   5           HB2      LEU   5   7.354  -5.881   0.914
   38    HB3  LEU   5           HB1      LEU   5   6.764  -5.723  -0.719
   39    HG   LEU   5           HG       LEU   5   4.986  -6.342   1.660
   40   HD11  LEU   5          HD11      LEU   5   5.548  -3.714   0.301
   41   HD12  LEU   5          HD12      LEU   5   6.045  -4.175   1.930
   42   HD13  LEU   5          HD13      LEU   5   4.335  -3.991   1.551
   43   HD21  LEU   5          HD21      LEU   5   4.342  -5.343  -1.107
   44   HD22  LEU   5          HD22      LEU   5   3.190  -5.609   0.200
   45   HD23  LEU   5          HD23      LEU   5   4.048  -6.974  -0.511
   46    H    THR   6           HN       THR   6   5.097  -9.573  -0.240
   47    HA   THR   6           HA       THR   6   5.040  -9.364  -3.155
   48    HB   THR   6           HB       THR   6   3.918 -11.627  -3.077
   49    HG1  THR   6           HG1      THR   6   4.543 -11.373  -0.285
   50   HG21  THR   6          HG21      THR   6   6.306 -11.421  -3.548
   51   HG22  THR   6          HG22      THR   6   5.989 -12.871  -2.599
   52   HG23  THR   6          HG23      THR   6   6.661 -11.439  -1.820
   53    H    THR   7           HN       THR   7   2.681 -10.138  -4.006
   54    HA   THR   7           HA       THR   7   0.852  -8.146  -3.406
   55    HB   THR   7           HB       THR   7   0.156 -10.915  -4.441
   56    HG1  THR   7           HG1      THR   7   0.639  -9.858  -6.553
   57   HG21  THR   7          HG21      THR   7  -1.588  -9.690  -5.705
   58   HG22  THR   7          HG22      THR   7  -1.048  -8.176  -4.982
   59   HG23  THR   7          HG23      THR   7  -1.774  -9.418  -3.972
   60    H    ASP   8           HN       ASP   8   1.291 -11.345  -2.044
   61    HA   ASP   8           HA       ASP   8  -0.975 -11.486  -0.411
   62    HB2  ASP   8           HB2      ASP   8   0.477 -13.412  -0.776
   63    HB3  ASP   8           HB1      ASP   8   1.779 -12.615   0.106
   64    H    ASP   9           HN       ASP   9   2.274 -10.280   0.291
   65    HA   ASP   9           HA       ASP   9   1.761  -9.516   2.985
   66    HB2  ASP   9           HB2      ASP   9   3.847  -8.393   1.101
   67    HB3  ASP   9           HB1      ASP   9   3.827  -8.202   2.848
   68    H    LEU  10           HN       LEU  10   1.477  -7.951  -0.062
   69    HA   LEU  10           HA       LEU  10   0.978  -5.332   0.817
   70    HB2  LEU  10           HB2      LEU  10   1.523  -6.063  -1.517
   71    HB3  LEU  10           HB1      LEU  10  -0.076  -6.756  -1.631
   72    HG   LEU  10           HG       LEU  10  -1.046  -4.494  -1.403
   73   HD11  LEU  10          HD11      LEU  10   1.834  -3.591  -1.536
   74   HD12  LEU  10          HD12      LEU  10   0.764  -3.439  -0.142
   75   HD13  LEU  10          HD13      LEU  10   0.418  -2.543  -1.621
   76   HD21  LEU  10          HD21      LEU  10  -0.388  -3.732  -3.630
   77   HD22  LEU  10          HD22      LEU  10  -0.651  -5.477  -3.589
   78   HD23  LEU  10          HD23      LEU  10   0.991  -4.830  -3.598
   79    H    ARG  11           HN       ARG  11  -1.185  -8.011  -0.109
   80    HA   ARG  11           HA       ARG  11  -3.615  -6.952   0.620
   81    HB2  ARG  11           HB2      ARG  11  -3.561  -9.095  -0.458
   82    HB3  ARG  11           HB1      ARG  11  -2.662  -9.809   0.878
   83    HG2  ARG  11           HG2      ARG  11  -4.611  -9.366   2.356
   84    HG3  ARG  11           HG1      ARG  11  -5.504  -8.815   0.943
   85    HD2  ARG  11           HD2      ARG  11  -6.029 -11.123   1.540
   86    HD3  ARG  11           HD1      ARG  11  -5.309 -10.995  -0.062
   87    HE   ARG  11           HE       ARG  11  -3.234 -11.737   0.920
   88   HH11  ARG  11          HH11      ARG  11  -6.145 -12.304   2.906
   89   HH12  ARG  11          HH12      ARG  11  -5.573 -13.747   3.578
   90   HH21  ARG  11          HH21      ARG  11  -2.438 -13.748   1.887
   91   HH22  ARG  11          HH22      ARG  11  -3.450 -14.605   2.938
   92    H    ARG  12           HN       ARG  12  -1.278  -8.623   2.657
   93    HA   ARG  12           HA       ARG  12  -2.731  -8.830   5.026
   94    HB2  ARG  12           HB2      ARG  12   0.226  -8.249   4.835
   95    HB3  ARG  12           HB1      ARG  12  -0.606  -8.955   6.203
   96    HG2  ARG  12           HG2      ARG  12  -0.226 -10.210   3.497
   97    HG3  ARG  12           HG1      ARG  12   0.654 -10.611   4.967
   98    HD2  ARG  12           HD2      ARG  12  -1.516 -11.277   5.987
   99    HD3  ARG  12           HD1      ARG  12  -2.276 -11.012   4.417
  100    HE   ARG  12           HE       ARG  12  -0.227 -12.689   3.853
  101   HH11  ARG  12          HH11      ARG  12  -3.165 -12.870   5.830
  102   HH12  ARG  12          HH12      ARG  12  -3.069 -14.562   6.028
  103   HH21  ARG  12          HH21      ARG  12  -0.134 -15.031   4.144
  104   HH22  ARG  12          HH22      ARG  12  -1.295 -15.794   5.115
  105    H    ALA  13           HN       ALA  13  -0.510  -6.250   4.042
  106    HA   ALA  13           HA       ALA  13  -0.875  -4.659   6.335
  107    HB1  ALA  13           HB1      ALA  13   0.212  -2.891   5.059
  108    HB2  ALA  13           HB2      ALA  13  -0.019  -3.812   3.572
  109    HB3  ALA  13           HB3      ALA  13   1.044  -4.430   4.837
  110    H    LEU  14           HN       LEU  14  -2.361  -4.473   3.077
  111    HA   LEU  14           HA       LEU  14  -3.929  -2.256   3.602
  112    HB2  LEU  14           HB2      LEU  14  -3.966  -4.466   1.593
  113    HB3  LEU  14           HB1      LEU  14  -5.256  -3.293   1.628
  114    HG   LEU  14           HG       LEU  14  -3.432  -2.975  -0.051
  115   HD11  LEU  14          HD11      LEU  14  -4.969  -1.169   0.503
  116   HD12  LEU  14          HD12      LEU  14  -3.357  -0.506   0.227
  117   HD13  LEU  14          HD13      LEU  14  -3.959  -0.706   1.872
  118   HD21  LEU  14          HD21      LEU  14  -1.458  -3.397   1.281
  119   HD22  LEU  14          HD22      LEU  14  -1.835  -2.024   2.321
  120   HD23  LEU  14          HD23      LEU  14  -1.395  -1.755   0.635
  121    H    VAL  15           HN       VAL  15  -4.693  -5.743   3.906
  122    HA   VAL  15           HA       VAL  15  -7.440  -5.259   4.458
  123    HB   VAL  15           HB       VAL  15  -6.519  -7.471   3.585
  124   HG11  VAL  15          HG11      VAL  15  -5.814  -9.168   5.183
  125   HG12  VAL  15          HG12      VAL  15  -5.794  -7.943   6.454
  126   HG13  VAL  15          HG13      VAL  15  -4.689  -7.813   5.085
  127   HG21  VAL  15          HG21      VAL  15  -8.835  -7.307   4.290
  128   HG22  VAL  15          HG22      VAL  15  -8.365  -7.616   5.963
  129   HG23  VAL  15          HG23      VAL  15  -8.161  -8.875   4.744
  130    H    GLU  16           HN       GLU  16  -4.659  -5.193   6.458
  131    HA   GLU  16           HA       GLU  16  -6.249  -5.266   8.854
  132    HB2  GLU  16           HB2      GLU  16  -3.289  -4.908   8.417
  133    HB3  GLU  16           HB1      GLU  16  -4.039  -4.801  10.005
  134    HG2  GLU  16           HG2      GLU  16  -4.862  -7.078   9.793
  135    HG3  GLU  16           HG1      GLU  16  -4.174  -7.187   8.176
  136    H    SER  17           HN       SER  17  -4.767  -2.856   6.813
  137    HA   SER  17           HA       SER  17  -5.235  -0.737   8.692
  138    HB2  SER  17           HB2      SER  17  -4.525  -0.579   5.748
  139    HB3  SER  17           HB1      SER  17  -4.406   0.730   6.919
  140    HG   SER  17           HG       SER  17  -2.879  -1.632   6.717
  141    H    ALA  18           HN       ALA  18  -6.795  -1.945   5.741
  142    HA   ALA  18           HA       ALA  18  -8.863   0.052   5.677
  143    HB1  ALA  18           HB1      ALA  18  -9.737  -1.264   3.845
  144    HB2  ALA  18           HB2      ALA  18  -8.634  -2.579   4.248
  145    HB3  ALA  18           HB3      ALA  18  -7.993  -1.040   3.661
  146    H    GLY  19           HN       GLY  19  -8.693  -1.441   8.151
  147    HA2  GLY  19           HA2      GLY  19 -10.612  -3.504   8.253
  148    HA3  GLY  19           HA1      GLY  19  -9.975  -2.636   9.644
  149    H    GLU  20           HN       GLU  20 -10.982  -0.096   8.181
  150    HA   GLU  20           HA       GLU  20 -13.812  -0.385   8.920
  151    HB2  GLU  20           HB2      GLU  20 -12.037   2.053   9.149
  152    HB3  GLU  20           HB1      GLU  20 -13.716   1.933   9.663
  153    HG2  GLU  20           HG2      GLU  20 -13.088   0.272  11.331
  154    HG3  GLU  20           HG1      GLU  20 -11.407   0.392  10.815
  155    H    THR  21           HN       THR  21 -12.252  -0.661   6.346
  156    HA   THR  21           HA       THR  21 -13.463   1.533   4.827
  157    HB   THR  21           HB       THR  21 -11.036  -0.151   4.135
  158    HG1  THR  21           HG1      THR  21 -10.766   1.411   5.885
  159   HG21  THR  21          HG21      THR  21 -12.195   2.305   2.786
  160   HG22  THR  21          HG22      THR  21 -12.261   0.665   2.149
  161   HG23  THR  21          HG23      THR  21 -10.708   1.481   2.320
  162    H    ASP  22           HN       ASP  22 -15.329   0.746   4.271
  163    HA   ASP  22           HA       ASP  22 -16.964  -0.274   3.145
  164    HB2  ASP  22           HB2      ASP  22 -15.569  -0.147   1.146
  165    HB3  ASP  22           HB1      ASP  22 -14.790  -1.669   1.572
  166    H    GLY  23           HN       GLY  23 -14.688  -2.965   3.245
  167    HA2  GLY  23           HA2      GLY  23 -16.096  -4.409   5.196
  168    HA3  GLY  23           HA1      GLY  23 -16.645  -4.907   3.596
  169    H    THR  24           HN       THR  24 -15.674  -6.721   3.023
  170    HA   THR  24           HA       THR  24 -12.805  -6.884   3.437
  171    HB   THR  24           HB       THR  24 -13.473  -9.478   3.852
  172    HG1  THR  24           HG1      THR  24 -15.360  -7.959   5.334
  173   HG21  THR  24          HG21      THR  24 -12.933  -9.063   6.223
  174   HG22  THR  24          HG22      THR  24 -13.157  -7.334   5.966
  175   HG23  THR  24          HG23      THR  24 -11.845  -8.182   5.151
  176    H    ASP  25           HN       ASP  25 -14.008  -6.274   0.978
  177    HA   ASP  25           HA       ASP  25 -13.621  -8.801  -0.468
  178    HB2  ASP  25           HB2      ASP  25 -14.503  -7.847  -2.431
  179    HB3  ASP  25           HB1      ASP  25 -15.460  -7.087  -1.174
  180    H    LEU  26           HN       LEU  26 -11.932  -6.200   0.625
  181    HA   LEU  26           HA       LEU  26  -9.913  -6.134  -1.393
  182    HB2  LEU  26           HB2      LEU  26 -10.380  -4.154  -0.024
  183    HB3  LEU  26           HB1      LEU  26  -9.932  -5.029   1.425
  184    HG   LEU  26           HG       LEU  26  -7.609  -5.148   0.637
  185   HD11  LEU  26          HD11      LEU  26  -8.021  -5.155  -1.750
  186   HD12  LEU  26          HD12      LEU  26  -6.905  -3.862  -1.306
  187   HD13  LEU  26          HD13      LEU  26  -8.591  -3.488  -1.669
  188   HD21  LEU  26          HD21      LEU  26  -8.763  -2.363   0.608
  189   HD22  LEU  26          HD22      LEU  26  -7.072  -2.776   0.889
  190   HD23  LEU  26          HD23      LEU  26  -8.310  -3.282   2.042
  191    H    SER  27           HN       SER  27  -9.582  -8.373  -1.493
  192    HA   SER  27           HA       SER  27  -7.384  -9.274   0.139
  193    HB2  SER  27           HB2      SER  27  -9.932 -10.883  -0.188
  194    HB3  SER  27           HB1      SER  27  -8.455 -11.447   0.600
  195    HG   SER  27           HG       SER  27  -9.197  -9.110   1.655
  196    H    GLY  28           HN       GLY  28  -6.663 -11.487  -0.901
  197    HA2  GLY  28           HA2      GLY  28  -5.971 -12.646  -2.724
  198    HA3  GLY  28           HA1      GLY  28  -7.399 -12.052  -3.562
  199    H    ASP  29           HN       ASP  29  -6.978 -10.926  -5.264
  200    HA   ASP  29           HA       ASP  29  -4.489  -9.392  -5.364
  201    HB2  ASP  29           HB2      ASP  29  -4.312 -11.024  -7.063
  202    HB3  ASP  29           HB1      ASP  29  -5.984 -10.798  -7.570
  203    H    PHE  30           HN       PHE  30  -4.538  -7.363  -5.793
  204    HA   PHE  30           HA       PHE  30  -6.889  -5.999  -6.812
  205    HB2  PHE  30           HB2      PHE  30  -6.961  -4.443  -4.875
  206    HB3  PHE  30           HB1      PHE  30  -7.338  -6.091  -4.396
  207    HD1  PHE  30           HD1      PHE  30  -5.513  -7.458  -3.236
  208    HD2  PHE  30           HD2      PHE  30  -5.200  -3.255  -3.872
  209    HE1  PHE  30           HE1      PHE  30  -3.799  -7.325  -1.498
  210    HE2  PHE  30           HE2      PHE  30  -3.469  -3.129  -2.135
  211    HZ   PHE  30           HZ       PHE  30  -2.768  -5.171  -0.947
  212    H    LEU  31           HN       LEU  31  -3.901  -6.633  -7.215
  213    HA   LEU  31           HA       LEU  31  -2.243  -4.449  -6.737
  214    HB2  LEU  31           HB2      LEU  31  -1.542  -6.762  -7.246
  215    HB3  LEU  31           HB1      LEU  31  -2.037  -6.526  -8.905
  216    HG   LEU  31           HG       LEU  31  -0.313  -4.730  -9.100
  217   HD11  LEU  31          HD11      LEU  31  -0.134  -4.145  -6.752
  218   HD12  LEU  31          HD12      LEU  31   1.435  -4.627  -7.395
  219   HD13  LEU  31          HD13      LEU  31   0.515  -5.742  -6.387
  220   HD21  LEU  31          HD21      LEU  31   0.120  -6.996  -9.891
  221   HD22  LEU  31          HD22      LEU  31   0.674  -7.466  -8.284
  222   HD23  LEU  31          HD23      LEU  31   1.583  -6.277  -9.218
  223    H    ASP  32           HN       ASP  32  -4.523  -4.997  -9.320
  224    HA   ASP  32           HA       ASP  32  -3.285  -2.967 -11.014
  225    HB2  ASP  32           HB2      ASP  32  -3.958  -5.103 -12.003
  226    HB3  ASP  32           HB1      ASP  32  -5.620  -4.810 -11.520
  227    H    LEU  33           HN       LEU  33  -5.846  -3.224  -8.774
  228    HA   LEU  33           HA       LEU  33  -7.414  -1.068  -9.935
  229    HB2  LEU  33           HB2      LEU  33  -7.723  -2.686  -7.392
  230    HB3  LEU  33           HB1      LEU  33  -8.728  -1.304  -7.745
  231    HG   LEU  33           HG       LEU  33  -9.938  -3.314  -8.218
  232   HD11  LEU  33          HD11      LEU  33 -10.412  -1.454  -9.646
  233   HD12  LEU  33          HD12      LEU  33 -10.562  -2.964 -10.548
  234   HD13  LEU  33          HD13      LEU  33  -9.140  -1.945 -10.764
  235   HD21  LEU  33          HD21      LEU  33  -7.724  -4.047 -10.134
  236   HD22  LEU  33          HD22      LEU  33  -9.250  -4.915  -9.948
  237   HD23  LEU  33          HD23      LEU  33  -8.097  -4.860  -8.614
  238    H    ARG  34           HN       ARG  34  -7.514   1.029  -9.038
  239    HA   ARG  34           HA       ARG  34  -5.012   1.710  -7.756
  240    HB2  ARG  34           HB2      ARG  34  -7.307   3.556  -8.484
  241    HB3  ARG  34           HB1      ARG  34  -5.733   4.060  -7.901
  242    HG2  ARG  34           HG2      ARG  34  -5.336   4.370 -10.087
  243    HG3  ARG  34           HG1      ARG  34  -5.008   2.637 -10.071
  244    HD2  ARG  34           HD2      ARG  34  -6.482   3.130 -11.899
  245    HD3  ARG  34           HD1      ARG  34  -7.384   2.239 -10.668
  246    HE   ARG  34           HE       ARG  34  -7.584   5.066 -10.348
  247   HH11  ARG  34          HH11      ARG  34  -8.992   2.285 -12.019
  248   HH12  ARG  34          HH12      ARG  34 -10.469   3.038 -12.378
  249   HH21  ARG  34          HH21      ARG  34  -9.677   6.138 -10.838
  250   HH22  ARG  34          HH22      ARG  34 -10.847   5.274 -11.704
  251    H    PHE  35           HN       PHE  35  -5.033   3.182  -5.863
  252    HA   PHE  35           HA       PHE  35  -6.283   1.980  -3.722
  253    HB2  PHE  35           HB2      PHE  35  -5.081   4.739  -3.940
  254    HB3  PHE  35           HB1      PHE  35  -5.722   4.104  -2.424
  255    HD1  PHE  35           HD1      PHE  35  -4.786   1.854  -1.615
  256    HD2  PHE  35           HD2      PHE  35  -2.876   4.260  -4.556
  257    HE1  PHE  35           HE1      PHE  35  -2.668   0.687  -1.182
  258    HE2  PHE  35           HE2      PHE  35  -0.752   3.092  -4.131
  259    HZ   PHE  35           HZ       PHE  35  -0.644   1.306  -2.447
  260    H    GLU  36           HN       GLU  36  -7.388   4.780  -5.542
  261    HA   GLU  36           HA       GLU  36  -9.682   5.356  -4.076
  262    HB2  GLU  36           HB2      GLU  36 -10.528   6.421  -6.095
  263    HB3  GLU  36           HB1      GLU  36  -8.827   6.792  -5.851
  264    HG2  GLU  36           HG2      GLU  36  -8.293   4.975  -7.479
  265    HG3  GLU  36           HG1      GLU  36 -10.020   4.863  -7.812
  266    H    ASP  37           HN       ASP  37  -9.086   2.592  -6.119
  267    HA   ASP  37           HA       ASP  37 -11.896   2.021  -6.568
  268    HB2  ASP  37           HB2      ASP  37  -9.418   0.374  -7.167
  269    HB3  ASP  37           HB1      ASP  37 -11.051  -0.163  -7.505
  270    H    ILE  38           HN       ILE  38  -9.388   1.250  -4.358
  271    HA   ILE  38           HA       ILE  38 -11.076  -0.810  -3.182
  272    HB   ILE  38           HB       ILE  38  -9.104  -1.531  -1.866
  273   HG12  ILE  38          HG12      ILE  38  -7.610   0.570  -3.468
  274   HG13  ILE  38          HG11      ILE  38  -7.950   0.661  -1.746
  275   HG21  ILE  38          HG21      ILE  38  -8.618  -1.327  -4.840
  276   HG22  ILE  38          HG22      ILE  38  -9.566  -2.568  -4.020
  277   HG23  ILE  38          HG23      ILE  38  -7.826  -2.465  -3.749
  278   HD11  ILE  38          HD11      ILE  38  -5.652  -0.009  -2.162
  279   HD12  ILE  38          HD12      ILE  38  -6.212  -1.394  -3.098
  280   HD13  ILE  38          HD13      ILE  38  -6.548  -1.307  -1.369
  281    H    GLY  39           HN       GLY  39 -11.320   2.167  -2.969
  282    HA2  GLY  39           HA2      GLY  39 -12.451   3.445  -1.392
  283    HA3  GLY  39           HA1      GLY  39 -12.270   2.128  -0.252
  284    H    TYR  40           HN       TYR  40  -9.326   3.085  -1.613
  285    HA   TYR  40           HA       TYR  40  -8.600   4.218   0.933
  286    HB2  TYR  40           HB2      TYR  40  -7.126   2.978  -1.281
  287    HB3  TYR  40           HB1      TYR  40  -6.293   4.252  -0.395
  288    HD1  TYR  40           HD1      TYR  40  -8.101   1.042   0.064
  289    HD2  TYR  40           HD2      TYR  40  -5.356   3.864   1.622
  290    HE1  TYR  40           HE1      TYR  40  -7.535  -0.512   1.875
  291    HE2  TYR  40           HE2      TYR  40  -4.777   2.358   3.411
  292    HH   TYR  40           HH       TYR  40  -5.658   0.513   4.565
  293    H    ASP  41           HN       ASP  41  -8.784   6.217   1.277
  294    HA   ASP  41           HA       ASP  41  -8.475   8.150  -0.857
  295    HB2  ASP  41           HB2      ASP  41  -9.174   9.787   0.790
  296    HB3  ASP  41           HB1      ASP  41 -10.272   8.412   0.879
  297    H    SER  42           HN       SER  42  -7.134  10.066  -0.160
  298    HA   SER  42           HA       SER  42  -4.475   9.509  -0.136
  299    HB2  SER  42           HB2      SER  42  -4.340  11.961   0.521
  300    HB3  SER  42           HB1      SER  42  -5.273  11.557  -0.930
  301    H    LEU  43           HN       LEU  43  -6.531  10.066   2.742
  302    HA   LEU  43           HA       LEU  43  -4.246  10.391   4.469
  303    HB2  LEU  43           HB2      LEU  43  -6.423  11.563   4.839
  304    HB3  LEU  43           HB1      LEU  43  -7.151  10.023   5.216
  305    HG   LEU  43           HG       LEU  43  -4.848  11.094   6.847
  306   HD11  LEU  43          HD11      LEU  43  -6.506  12.059   8.356
  307   HD12  LEU  43          HD12      LEU  43  -7.786  11.631   7.209
  308   HD13  LEU  43          HD13      LEU  43  -6.542  12.800   6.753
  309   HD21  LEU  43          HD21      LEU  43  -5.858   9.716   8.608
  310   HD22  LEU  43          HD22      LEU  43  -5.489   8.736   7.188
  311   HD23  LEU  43          HD23      LEU  43  -7.148   9.242   7.504
  312    H    ALA  44           HN       ALA  44  -6.665   7.900   3.875
  313    HA   ALA  44           HA       ALA  44  -5.594   6.046   5.736
  314    HB1  ALA  44           HB1      ALA  44  -6.883   4.338   4.534
  315    HB2  ALA  44           HB2      ALA  44  -7.144   5.466   3.202
  316    HB3  ALA  44           HB3      ALA  44  -7.852   5.791   4.787
  317    H    LEU  45           HN       LEU  45  -4.817   6.873   2.483
  318    HA   LEU  45           HA       LEU  45  -3.099   4.738   1.904
  319    HB2  LEU  45           HB2      LEU  45  -4.003   6.090   0.159
  320    HB3  LEU  45           HB1      LEU  45  -3.272   7.532   0.824
  321    HG   LEU  45           HG       LEU  45  -1.071   6.775   0.172
  322   HD11  LEU  45          HD11      LEU  45  -2.453   4.307  -0.874
  323   HD12  LEU  45          HD12      LEU  45  -1.402   4.398   0.542
  324   HD13  LEU  45          HD13      LEU  45  -0.739   4.717  -1.063
  325   HD21  LEU  45          HD21      LEU  45  -1.390   6.806  -2.248
  326   HD22  LEU  45          HD22      LEU  45  -2.427   7.978  -1.413
  327   HD23  LEU  45          HD23      LEU  45  -3.108   6.458  -2.001
  328    H    MET  46           HN       MET  46  -2.443   7.954   3.356
  329    HA   MET  46           HA       MET  46   0.348   7.460   3.454
  330    HB2  MET  46           HB2      MET  46   0.630   9.379   4.867
  331    HB3  MET  46           HB1      MET  46  -0.619   9.782   3.706
  332    HG2  MET  46           HG2      MET  46  -2.326   9.499   5.374
  333    HG3  MET  46           HG1      MET  46  -1.147   8.892   6.531
  334    HE1  MET  46           HE1      MET  46  -3.184  11.220   7.214
  335    HE2  MET  46           HE2      MET  46  -2.130  12.355   8.056
  336    HE3  MET  46           HE3      MET  46  -1.977  10.623   8.353
  337    H    GLU  47           HN       GLU  47  -2.292   6.643   5.582
  338    HA   GLU  47           HA       GLU  47  -0.753   5.855   7.804
  339    HB2  GLU  47           HB2      GLU  47  -3.385   4.702   6.878
  340    HB3  GLU  47           HB1      GLU  47  -2.672   4.454   8.462
  341    HG2  GLU  47           HG2      GLU  47  -2.748   7.055   8.587
  342    HG3  GLU  47           HG1      GLU  47  -3.935   6.870   7.289
  343    H    THR  48           HN       THR  48  -1.796   4.161   4.952
  344    HA   THR  48           HA       THR  48  -0.867   1.584   5.513
  345    HB   THR  48           HB       THR  48  -1.044   2.995   2.837
  346    HG1  THR  48           HG1      THR  48  -3.053   3.097   3.952
  347   HG21  THR  48          HG21      THR  48  -1.417   0.735   1.947
  348   HG22  THR  48          HG22      THR  48  -1.228   0.059   3.563
  349   HG23  THR  48          HG23      THR  48   0.143   0.831   2.766
  350    H    ALA  49           HN       ALA  49   0.632   4.234   3.643
  351    HA   ALA  49           HA       ALA  49   3.087   3.047   3.120
  352    HB1  ALA  49           HB1      ALA  49   2.504   5.979   3.551
  353    HB2  ALA  49           HB2      ALA  49   2.299   5.105   2.032
  354    HB3  ALA  49           HB3      ALA  49   3.911   5.315   2.721
  355    H    ALA  50           HN       ALA  50   2.159   5.168   5.818
  356    HA   ALA  50           HA       ALA  50   4.555   5.273   7.204
  357    HB1  ALA  50           HB1      ALA  50   3.217   5.838   9.152
  358    HB2  ALA  50           HB2      ALA  50   1.768   5.231   8.349
  359    HB3  ALA  50           HB3      ALA  50   2.601   6.650   7.713
  360    H    ARG  51           HN       ARG  51   1.958   2.904   7.442
  361    HA   ARG  51           HA       ARG  51   3.028   1.410   9.575
  362    HB2  ARG  51           HB2      ARG  51   0.669   1.268   8.945
  363    HB3  ARG  51           HB1      ARG  51   1.105   0.589   7.385
  364    HG2  ARG  51           HG2      ARG  51   1.941  -1.410   8.459
  365    HG3  ARG  51           HG1      ARG  51   1.625  -0.709  10.046
  366    HD2  ARG  51           HD2      ARG  51  -0.763  -0.695   9.598
  367    HD3  ARG  51           HD1      ARG  51  -0.479  -1.285   7.957
  368    HE   ARG  51           HE       ARG  51   0.657  -3.211   9.266
  369   HH11  ARG  51          HH11      ARG  51  -2.413  -1.630  10.250
  370   HH12  ARG  51          HH12      ARG  51  -2.972  -3.028  11.027
  371   HH21  ARG  51          HH21      ARG  51  -0.199  -5.067  10.321
  372   HH22  ARG  51          HH22      ARG  51  -1.738  -5.013  11.041
  373    H    LEU  52           HN       LEU  52   3.393   1.163   6.091
  374    HA   LEU  52           HA       LEU  52   4.917  -1.233   6.177
  375    HB2  LEU  52           HB2      LEU  52   4.665   0.852   4.022
  376    HB3  LEU  52           HB1      LEU  52   5.509  -0.676   3.828
  377    HG   LEU  52           HG       LEU  52   2.568  -0.380   4.428
  378   HD11  LEU  52          HD11      LEU  52   2.253  -1.186   2.147
  379   HD12  LEU  52          HD12      LEU  52   4.001  -1.149   1.897
  380   HD13  LEU  52          HD13      LEU  52   3.116   0.349   2.182
  381   HD21  LEU  52          HD21      LEU  52   3.509  -2.415   5.364
  382   HD22  LEU  52          HD22      LEU  52   4.228  -2.814   3.805
  383   HD23  LEU  52          HD23      LEU  52   2.471  -2.781   3.986
  384    H    GLU  53           HN       GLU  53   5.752   2.192   6.095
  385    HA   GLU  53           HA       GLU  53   8.536   1.899   5.925
  386    HB2  GLU  53           HB2      GLU  53   6.920   4.045   7.315
  387    HB3  GLU  53           HB1      GLU  53   8.653   4.124   7.049
  388    HG2  GLU  53           HG2      GLU  53   8.273   4.062   4.632
  389    HG3  GLU  53           HG1      GLU  53   6.534   4.018   4.918
  390    H    SER  54           HN       SER  54   6.344   1.859   8.633
  391    HA   SER  54           HA       SER  54   8.173   1.789  10.738
  392    HB2  SER  54           HB2      SER  54   5.762   2.253  10.997
  393    HB3  SER  54           HB1      SER  54   5.388   0.599  10.543
  394    HG   SER  54           HG       SER  54   5.328   0.848  12.741
  395    H    ARG  55           HN       ARG  55   6.402  -0.931   9.242
  396    HA   ARG  55           HA       ARG  55   7.800  -2.897  10.678
  397    HB2  ARG  55           HB2      ARG  55   5.660  -3.436   9.803
  398    HB3  ARG  55           HB1      ARG  55   6.176  -3.098   8.154
  399    HG2  ARG  55           HG2      ARG  55   7.780  -4.970   8.312
  400    HG3  ARG  55           HG1      ARG  55   7.139  -5.341   9.911
  401    HD2  ARG  55           HD2      ARG  55   5.012  -5.873   9.006
  402    HD3  ARG  55           HD1      ARG  55   5.473  -5.251   7.418
  403    HE   ARG  55           HE       ARG  55   7.273  -7.245   8.192
  404   HH11  ARG  55          HH11      ARG  55   3.898  -6.956   7.161
  405   HH12  ARG  55          HH12      ARG  55   3.920  -8.457   6.326
  406   HH21  ARG  55          HH21      ARG  55   7.260  -9.261   7.152
  407   HH22  ARG  55          HH22      ARG  55   5.868  -9.852   6.377
  408    H    TYR  56           HN       TYR  56   8.210  -1.869   7.286
  409    HA   TYR  56           HA       TYR  56  10.242  -3.855   6.945
  410    HB2  TYR  56           HB2      TYR  56   9.171  -1.779   5.039
  411    HB3  TYR  56           HB1      TYR  56  10.428  -2.933   4.607
  412    HD1  TYR  56           HD1      TYR  56   6.870  -2.534   5.445
  413    HD2  TYR  56           HD2      TYR  56   9.889  -5.280   4.249
  414    HE1  TYR  56           HE1      TYR  56   5.135  -4.162   4.840
  415    HE2  TYR  56           HE2      TYR  56   8.168  -6.918   3.643
  416    HH   TYR  56           HH       TYR  56   5.802  -7.417   4.198
  417    H    GLY  57           HN       GLY  57  10.317  -0.587   7.931
  418    HA2  GLY  57           HA2      GLY  57  12.165   0.611   8.643
  419    HA3  GLY  57           HA1      GLY  57  13.184  -0.739   8.143
  420    H    VAL  58           HN       VAL  58  10.904   1.297   6.424
  421    HA   VAL  58           HA       VAL  58  13.065   2.101   4.642
  422    HB   VAL  58           HB       VAL  58  11.488   2.113   2.716
  423   HG11  VAL  58          HG11      VAL  58  12.943   0.197   3.001
  424   HG12  VAL  58          HG12      VAL  58  11.388  -0.304   2.334
  425   HG13  VAL  58          HG13      VAL  58  11.748  -0.579   4.038
  426   HG21  VAL  58          HG21      VAL  58   9.376   2.320   3.923
  427   HG22  VAL  58          HG22      VAL  58   9.585   0.704   4.596
  428   HG23  VAL  58          HG23      VAL  58   9.343   0.910   2.860
  429    H    SER  59           HN       SER  59  12.298   4.042   3.305
  430    HA   SER  59           HA       SER  59  10.519   5.769   4.826
  431    HB2  SER  59           HB2      SER  59  13.362   6.469   4.065
  432    HB3  SER  59           HB1      SER  59  12.181   7.613   4.702
  433    HG   SER  59           HG       SER  59  11.968   6.092   6.479
  434    H    ILE  60           HN       ILE  60   9.090   6.444   3.494
  435    HA   ILE  60           HA       ILE  60   9.647   6.500   0.615
  436    HB   ILE  60           HB       ILE  60   6.981   6.768   2.041
  437   HG12  ILE  60          HG12      ILE  60   8.189   4.339   0.687
  438   HG13  ILE  60          HG11      ILE  60   8.031   4.556   2.425
  439   HG21  ILE  60          HG21      ILE  60   7.634   6.265  -0.867
  440   HG22  ILE  60          HG22      ILE  60   6.988   7.760  -0.190
  441   HG23  ILE  60          HG23      ILE  60   6.013   6.291  -0.171
  442   HD11  ILE  60          HD11      ILE  60   5.596   4.588   2.194
  443   HD12  ILE  60          HD12      ILE  60   6.295   3.098   1.559
  444   HD13  ILE  60          HD13      ILE  60   5.764   4.363   0.451
  445    HA   PRO  61           HA       PRO  61   9.880  11.022   0.946
  446    HB2  PRO  61           HB2      PRO  61   9.825  10.749  -2.019
  447    HB3  PRO  61           HB1      PRO  61  10.984  11.613  -1.000
  448    HG2  PRO  61           HG2      PRO  61  11.666   9.322  -2.167
  449    HG3  PRO  61           HG1      PRO  61  12.189   9.687  -0.511
  450    HD2  PRO  61           HD2      PRO  61   9.964   7.912  -1.446
  451    HD3  PRO  61           HD1      PRO  61  11.157   7.638  -0.156
  452    H    ASP  62           HN       ASP  62   8.336  12.580   0.667
  453    HA   ASP  62           HA       ASP  62   5.668  11.707   0.730
  454    HB2  ASP  62           HB2      ASP  62   6.670  14.534   0.370
  455    HB3  ASP  62           HB1      ASP  62   5.034  14.074   0.833
  456    H    ASP  63           HN       ASP  63   7.465  13.243  -1.818
  457    HA   ASP  63           HA       ASP  63   5.219  13.575  -3.533
  458    HB2  ASP  63           HB2      ASP  63   6.855  14.126  -5.284
  459    HB3  ASP  63           HB1      ASP  63   7.206  14.980  -3.787
  460    H    VAL  64           HN       VAL  64   7.420  11.000  -2.916
  461    HA   VAL  64           HA       VAL  64   6.717   9.509  -5.268
  462    HB   VAL  64           HB       VAL  64   8.093   8.551  -2.727
  463   HG11  VAL  64          HG11      VAL  64   8.859   6.671  -4.097
  464   HG12  VAL  64          HG12      VAL  64   7.910   7.277  -5.455
  465   HG13  VAL  64          HG13      VAL  64   7.100   6.720  -3.991
  466   HG21  VAL  64          HG21      VAL  64   9.267   9.416  -5.368
  467   HG22  VAL  64          HG22      VAL  64  10.170   8.729  -4.017
  468   HG23  VAL  64          HG23      VAL  64   9.376  10.294  -3.843
  469    H    ALA  65           HN       ALA  65   5.791   9.599  -1.873
  470    HA   ALA  65           HA       ALA  65   3.968   7.460  -1.886
  471    HB1  ALA  65           HB1      ALA  65   3.855  10.011  -0.264
  472    HB2  ALA  65           HB2      ALA  65   4.743   8.552   0.175
  473    HB3  ALA  65           HB3      ALA  65   2.980   8.522   0.096
  474    H    GLY  66           HN       GLY  66   3.737  10.727  -3.027
  475    HA2  GLY  66           HA2      GLY  66   0.906  10.678  -3.446
  476    HA3  GLY  66           HA1      GLY  66   2.029  11.900  -4.015
  477    H    ARG  67           HN       ARG  67   3.553   9.377  -5.259
  478    HA   ARG  67           HA       ARG  67   1.999   9.624  -7.728
  479    HB2  ARG  67           HB2      ARG  67   3.905   8.770  -8.971
  480    HB3  ARG  67           HB1      ARG  67   4.365  10.148  -7.991
  481    HG2  ARG  67           HG2      ARG  67   5.616   8.822  -6.513
  482    HG3  ARG  67           HG1      ARG  67   4.837   7.337  -7.046
  483    HD2  ARG  67           HD2      ARG  67   6.578   9.037  -8.833
  484    HD3  ARG  67           HD1      ARG  67   7.180   7.660  -7.903
  485    HE   ARG  67           HE       ARG  67   5.689   6.247  -9.145
  486   HH11  ARG  67          HH11      ARG  67   6.573   9.318 -10.679
  487   HH12  ARG  67          HH12      ARG  67   5.861   8.934 -12.180
  488   HH21  ARG  67          HH21      ARG  67   4.778   5.692 -11.175
  489   HH22  ARG  67          HH22      ARG  67   4.759   6.791 -12.480
  490    H    VAL  68           HN       VAL  68   2.172   7.489  -5.265
  491    HA   VAL  68           HA       VAL  68   1.885   5.212  -7.002
  492    HB   VAL  68           HB       VAL  68   1.854   3.798  -4.966
  493   HG11  VAL  68          HG11      VAL  68   4.111   5.784  -5.049
  494   HG12  VAL  68          HG12      VAL  68   3.969   4.300  -5.996
  495   HG13  VAL  68          HG13      VAL  68   4.159   4.215  -4.245
  496   HG21  VAL  68          HG21      VAL  68   2.374   4.730  -2.785
  497   HG22  VAL  68          HG22      VAL  68   0.813   5.339  -3.359
  498   HG23  VAL  68          HG23      VAL  68   2.254   6.368  -3.425
  499    H    ASP  69           HN       ASP  69   0.045   5.459  -8.077
  500    HA   ASP  69           HA       ASP  69  -2.477   5.967  -6.677
  501    HB2  ASP  69           HB2      ASP  69  -1.935   5.337  -9.591
  502    HB3  ASP  69           HB1      ASP  69  -3.517   5.670  -8.923
  503    H    THR  70           HN       THR  70  -0.787   3.417  -8.360
  504    HA   THR  70           HA       THR  70  -2.896   1.549  -7.670
  505    HB   THR  70           HB       THR  70  -1.572   0.030  -9.178
  506    HG1  THR  70           HG1      THR  70  -0.160   1.557 -10.633
  507   HG21  THR  70          HG21      THR  70  -2.294   1.109 -11.274
  508   HG22  THR  70          HG22      THR  70  -2.497   2.633 -10.414
  509   HG23  THR  70          HG23      THR  70  -3.533   1.261 -10.026
  510    HA   PRO  71           HA       PRO  71  -0.385  -0.235  -4.420
  511    HB2  PRO  71           HB2      PRO  71  -1.278  -2.843  -5.562
  512    HB3  PRO  71           HB1      PRO  71  -1.414  -2.247  -3.903
  513    HG2  PRO  71           HG2      PRO  71  -3.548  -2.348  -5.460
  514    HG3  PRO  71           HG1      PRO  71  -3.286  -0.958  -4.385
  515    HD2  PRO  71           HD2      PRO  71  -2.824  -1.191  -7.329
  516    HD3  PRO  71           HD1      PRO  71  -3.522   0.152  -6.399
  517    H    ARG  72           HN       ARG  72  -0.332  -1.335  -7.706
  518    HA   ARG  72           HA       ARG  72   1.965  -2.812  -8.000
  519    HB2  ARG  72           HB2      ARG  72   0.447  -2.381  -9.818
  520    HB3  ARG  72           HB1      ARG  72   0.811  -0.667  -9.775
  521    HG2  ARG  72           HG2      ARG  72   3.109  -1.163 -10.497
  522    HG3  ARG  72           HG1      ARG  72   2.687  -2.878 -10.592
  523    HD2  ARG  72           HD2      ARG  72   1.388  -0.642 -12.133
  524    HD3  ARG  72           HD1      ARG  72   2.558  -1.788 -12.781
  525    HE   ARG  72           HE       ARG  72   0.934  -3.551 -12.211
  526   HH11  ARG  72          HH11      ARG  72  -0.299  -0.214 -12.876
  527   HH12  ARG  72          HH12      ARG  72  -1.805  -0.782 -13.409
  528   HH21  ARG  72          HH21      ARG  72  -1.172  -4.227 -12.896
  529   HH22  ARG  72          HH22      ARG  72  -2.354  -3.099 -13.406
  530    H    GLU  73           HN       GLU  73   1.689   0.737  -8.195
  531    HA   GLU  73           HA       GLU  73   4.427   1.291  -8.503
  532    HB2  GLU  73           HB2      GLU  73   2.142   2.974  -7.475
  533    HB3  GLU  73           HB1      GLU  73   3.759   3.595  -7.758
  534    HG2  GLU  73           HG2      GLU  73   2.027   2.335  -9.863
  535    HG3  GLU  73           HG1      GLU  73   2.163   4.070  -9.572
  536    H    LEU  74           HN       LEU  74   2.340   1.139  -5.694
  537    HA   LEU  74           HA       LEU  74   4.229   2.104  -3.825
  538    HB2  LEU  74           HB2      LEU  74   1.723   2.079  -3.565
  539    HB3  LEU  74           HB1      LEU  74   1.808   0.353  -3.329
  540    HG   LEU  74           HG       LEU  74   1.470   1.717  -1.251
  541   HD11  LEU  74          HD11      LEU  74   3.956   0.033  -1.295
  542   HD12  LEU  74          HD12      LEU  74   2.304  -0.546  -1.080
  543   HD13  LEU  74          HD13      LEU  74   3.043   0.490   0.142
  544   HD21  LEU  74          HD21      LEU  74   3.407   2.870  -0.278
  545   HD22  LEU  74          HD22      LEU  74   2.909   3.599  -1.809
  546   HD23  LEU  74          HD23      LEU  74   4.322   2.559  -1.754
  547    H    LEU  75           HN       LEU  75   3.194  -1.160  -4.693
  548    HA   LEU  75           HA       LEU  75   4.756  -2.757  -3.042
  549    HB2  LEU  75           HB2      LEU  75   3.006  -3.610  -4.509
  550    HB3  LEU  75           HB1      LEU  75   3.921  -3.136  -5.921
  551    HG   LEU  75           HG       LEU  75   5.662  -4.814  -5.255
  552   HD11  LEU  75          HD11      LEU  75   3.542  -5.674  -3.316
  553   HD12  LEU  75          HD12      LEU  75   5.114  -4.987  -2.913
  554   HD13  LEU  75          HD13      LEU  75   5.015  -6.563  -3.701
  555   HD21  LEU  75          HD21      LEU  75   4.035  -5.282  -6.995
  556   HD22  LEU  75          HD22      LEU  75   2.883  -5.849  -5.786
  557   HD23  LEU  75          HD23      LEU  75   4.384  -6.735  -6.059
  558    H    ASP  76           HN       ASP  76   5.407  -1.572  -6.286
  559    HA   ASP  76           HA       ASP  76   7.957  -2.625  -6.638
  560    HB2  ASP  76           HB2      ASP  76   6.396  -1.647  -8.382
  561    HB3  ASP  76           HB1      ASP  76   6.945  -0.062  -7.860
  562    H    LEU  77           HN       LEU  77   6.904   0.532  -5.335
  563    HA   LEU  77           HA       LEU  77   9.481   1.599  -5.101
  564    HB2  LEU  77           HB2      LEU  77   7.362   2.919  -5.097
  565    HB3  LEU  77           HB1      LEU  77   6.999   2.302  -3.508
  566    HG   LEU  77           HG       LEU  77   7.858   4.669  -3.639
  567   HD11  LEU  77          HD11      LEU  77   9.293   4.521  -1.665
  568   HD12  LEU  77          HD12      LEU  77   9.441   2.782  -1.906
  569   HD13  LEU  77          HD13      LEU  77   7.872   3.486  -1.517
  570   HD21  LEU  77          HD21      LEU  77  10.283   4.990  -3.843
  571   HD22  LEU  77          HD22      LEU  77   9.568   4.351  -5.323
  572   HD23  LEU  77          HD23      LEU  77  10.462   3.281  -4.244
  573    H    ILE  78           HN       ILE  78   7.492  -0.209  -2.786
  574    HA   ILE  78           HA       ILE  78   9.235   0.091  -0.569
  575    HB   ILE  78           HB       ILE  78   7.292  -2.168  -1.172
  576   HG12  ILE  78          HG12      ILE  78   6.192   0.017  -1.008
  577   HG13  ILE  78          HG11      ILE  78   5.768  -0.999   0.363
  578   HG21  ILE  78          HG21      ILE  78   8.631  -1.461   1.443
  579   HG22  ILE  78          HG22      ILE  78   8.939  -2.896   0.465
  580   HG23  ILE  78          HG23      ILE  78   7.370  -2.678   1.235
  581   HD11  ILE  78          HD11      ILE  78   7.786   1.236   0.371
  582   HD12  ILE  78          HD12      ILE  78   7.364   0.224   1.753
  583   HD13  ILE  78          HD13      ILE  78   6.158   1.300   1.046
  584    H    ASN  79           HN       ASN  79   8.832  -2.609  -2.836
  585    HA   ASN  79           HA       ASN  79  11.016  -4.082  -1.833
  586    HB2  ASN  79           HB2      ASN  79   9.605  -4.209  -4.491
  587    HB3  ASN  79           HB1      ASN  79  10.909  -5.304  -4.049
  588   HD21  ASN  79          HD21      ASN  79   8.075  -5.806  -4.603
  589   HD22  ASN  79          HD22      ASN  79   7.476  -6.621  -3.200
  590    H    GLY  80           HN       GLY  80  10.810  -1.591  -4.265
  591    HA2  GLY  80           HA2      GLY  80  13.404  -1.859  -5.328
  592    HA3  GLY  80           HA1      GLY  80  12.440  -0.383  -5.328
  593    H    ALA  81           HN       ALA  81  12.165  -0.102  -2.525
  594    HA   ALA  81           HA       ALA  81  14.649   1.127  -1.881
  595    HB1  ALA  81           HB1      ALA  81  12.498   2.038  -1.107
  596    HB2  ALA  81           HB2      ALA  81  13.576   1.703   0.249
  597    HB3  ALA  81           HB3      ALA  81  12.250   0.598  -0.119
  598    H    LEU  82           HN       LEU  82  12.987  -1.802  -0.855
  599    HA   LEU  82           HA       LEU  82  14.815  -2.648   1.111
  600    HB2  LEU  82           HB2      LEU  82  13.004  -4.267  -0.682
  601    HB3  LEU  82           HB1      LEU  82  13.867  -4.920   0.694
  602    HG   LEU  82           HG       LEU  82  11.787  -2.739   0.885
  603   HD11  LEU  82          HD11      LEU  82  11.551  -5.693   1.441
  604   HD12  LEU  82          HD12      LEU  82  10.790  -4.822   0.110
  605   HD13  LEU  82          HD13      LEU  82  10.319  -4.476   1.776
  606   HD21  LEU  82          HD21      LEU  82  13.119  -4.441   2.994
  607   HD22  LEU  82          HD22      LEU  82  11.841  -3.259   3.272
  608   HD23  LEU  82          HD23      LEU  82  13.422  -2.727   2.700
  609    H    ALA  83           HN       ALA  83  14.699  -3.152  -2.369
  610    HA   ALA  83           HA       ALA  83  16.843  -4.925  -2.655
  611    HB1  ALA  83           HB1      ALA  83  16.905  -4.190  -4.985
  612    HB2  ALA  83           HB2      ALA  83  15.902  -2.797  -4.581
  613    HB3  ALA  83           HB3      ALA  83  15.243  -4.427  -4.448
  614    H    GLU  84           HN       GLU  84  16.728  -1.425  -2.554
  615    HA   GLU  84           HA       GLU  84  19.504  -1.015  -3.008
  616    HB2  GLU  84           HB2      GLU  84  17.392   0.754  -1.789
  617    HB3  GLU  84           HB1      GLU  84  19.029   1.275  -2.162
  618    HG2  GLU  84           HG2      GLU  84  17.067   0.207  -4.169
  619    HG3  GLU  84           HG1      GLU  84  17.380   1.915  -3.866
  620    H    ALA  85           HN       ALA  85  17.468  -1.215  -0.173
  621    HA   ALA  85           HA       ALA  85  17.806  -1.889   1.907
  622    HB1  ALA  85           HB1      ALA  85  19.796  -3.073   2.609
  623    HB2  ALA  85           HB2      ALA  85  20.669  -2.507   1.185
  624    HB3  ALA  85           HB3      ALA  85  19.313  -3.615   1.002
  625    H    ALA  86           HN       ALA  86  18.116  -0.962   3.773
  626    HA   ALA  86           HA       ALA  86  19.366   1.633   3.821
  627    HB1  ALA  86           HB1      ALA  86  18.456   1.776   6.101
  628    HB2  ALA  86           HB2      ALA  86  17.958   0.087   6.007
  629    HB3  ALA  86           HB3      ALA  86  17.211   1.286   4.951
  630    H28  SXH  87          H28B      SXH  87  -5.069  12.490   2.932
  631   H28A  SXH  87          H28A      SXH  87  -5.421  14.097   3.568
  632    H30  SXH  87          H30C      SXH  87  -3.290  12.152   4.532
  633   H30A  SXH  87          H30A      SXH  87  -3.732  13.722   5.238
  634   H30B  SXH  87          H30B      SXH  87  -2.062  13.401   4.748
  635    H31  SXH  87          H31A      SXH  87  -2.718  13.272   1.148
  636   H31A  SXH  87          H31C      SXH  87  -1.457  13.076   2.365
  637   H31B  SXH  87          H31B      SXH  87  -2.755  11.889   2.242
  638    H32  SXH  87          H32A      SXH  87  -3.670  15.907   3.540
  639   HO33  SXH  87          H33A      SXH  87  -1.822  15.492   1.543
  640   HN36  SXH  87          H36A      SXH  87  -2.375  16.048   5.377
  641    H37  SXH  87          H37A      SXH  87  -0.545  15.864   6.734
  642   H37A  SXH  87          H37B      SXH  87   0.509  15.455   5.399
  643    H38  SXH  87          H38A      SXH  87  -0.701  18.235   5.960
  644   H38A  SXH  87          H38B      SXH  87   0.771  17.637   6.665
  645   HN41  SXH  87          H41A      SXH  87   0.947  16.327   3.829
  646    H42  SXH  87          H42A      SXH  87   1.683  18.331   1.982
  647   H42A  SXH  87          H42B      SXH  87   3.108  17.689   2.804
  648    H43  SXH  87          H43A      SXH  87   2.685  16.450   0.720
  649   H43A  SXH  87          H43B      SXH  87   1.053  16.055   1.343
  650    H2   SXH  87           H2A      SXH  87   2.898  12.291   2.668
  651    H2A  SXH  87           H2B      SXH  87   3.345  11.765   1.044
  652    H3   SXH  87           H3A      SXH  87   0.532  12.126   2.043
  653    H3A  SXH  87           H3B      SXH  87   1.397  10.593   1.963
  654    H4   SXH  87           H4B      SXH  87   0.716  12.368  -0.386
  655    H4A  SXH  87           H4A      SXH  87   1.621  10.855  -0.476
  656    H5   SXH  87           H5A      SXH  87  -0.739  10.529  -1.088
  657    H5A  SXH  87           H5B      SXH  87  -1.226  11.139   0.506
  658    H6   SXH  87           H6C      SXH  87  -1.213   8.689   0.427
  659    H6A  SXH  87           H6A      SXH  87  -0.013   9.297   1.564
  660    H6B  SXH  87           H6B      SXH  87   0.492   8.715  -0.021
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  16.303 -14.623   3.764
    2    H2   MET   1           HT2      MET   1  16.723 -13.270   4.689
    3    H3   MET   1           HT3      MET   1  17.363 -14.770   5.099
    4    HA   MET   1           HA       MET   1  18.926 -13.322   4.010
    5    HB2  MET   1           HB2      MET   1  18.072 -15.678   2.298
    6    HB3  MET   1           HB1      MET   1  19.599 -14.829   2.114
    7    HG2  MET   1           HG2      MET   1  20.245 -15.484   4.372
    8    HG3  MET   1           HG1      MET   1  18.706 -16.317   4.571
    9    HE1  MET   1           HE1      MET   1  21.302 -19.245   4.377
   10    HE2  MET   1           HE2      MET   1  20.006 -18.509   5.319
   11    HE3  MET   1           HE3      MET   1  21.539 -17.661   5.117
   12    H    ALA   2           HN       ALA   2  17.230 -14.390   1.072
   13    HA   ALA   2           HA       ALA   2  17.182 -11.611   0.239
   14    HB1  ALA   2           HB1      ALA   2  16.652 -12.555  -1.985
   15    HB2  ALA   2           HB2      ALA   2  16.631 -14.173  -1.285
   16    HB3  ALA   2           HB3      ALA   2  18.135 -13.252  -1.330
   17    H    THR   3           HN       THR   3  15.473 -10.656   1.082
   18    HA   THR   3           HA       THR   3  12.954 -12.135   1.041
   19    HB   THR   3           HB       THR   3  13.669 -12.125   3.293
   20    HG1  THR   3           HG1      THR   3  11.699 -11.743   3.708
   21   HG21  THR   3          HG21      THR   3  14.243 -10.084   4.570
   22   HG22  THR   3          HG22      THR   3  14.096  -9.131   3.093
   23   HG23  THR   3          HG23      THR   3  15.359 -10.353   3.231
   24    H    LEU   4           HN       LEU   4  11.856 -11.306  -0.515
   25    HA   LEU   4           HA       LEU   4  11.617  -8.394  -0.795
   26    HB2  LEU   4           HB2      LEU   4  10.743 -10.633  -2.626
   27    HB3  LEU   4           HB1      LEU   4  10.454  -8.932  -2.922
   28    HG   LEU   4           HG       LEU   4  13.151 -10.289  -2.830
   29   HD11  LEU   4          HD11      LEU   4  11.879 -10.808  -4.834
   30   HD12  LEU   4          HD12      LEU   4  13.227  -9.736  -5.210
   31   HD13  LEU   4          HD13      LEU   4  11.587  -9.089  -5.102
   32   HD21  LEU   4          HD21      LEU   4  14.048  -8.116  -3.544
   33   HD22  LEU   4          HD22      LEU   4  13.283  -8.006  -1.960
   34   HD23  LEU   4          HD23      LEU   4  12.442  -7.407  -3.388
   35    H    LEU   5           HN       LEU   5   9.280  -7.875  -1.606
   36    HA   LEU   5           HA       LEU   5   7.423  -9.100   0.309
   37    HB2  LEU   5           HB2      LEU   5   8.286  -6.886   1.054
   38    HB3  LEU   5           HB1      LEU   5   7.700  -6.171  -0.421
   39    HG   LEU   5           HG       LEU   5   5.789  -7.455   1.526
   40   HD11  LEU   5          HD11      LEU   5   6.883  -4.658   1.550
   41   HD12  LEU   5          HD12      LEU   5   7.145  -5.888   2.784
   42   HD13  LEU   5          HD13      LEU   5   5.529  -5.229   2.519
   43   HD21  LEU   5          HD21      LEU   5   4.953  -6.822  -0.694
   44   HD22  LEU   5          HD22      LEU   5   5.528  -5.177  -0.435
   45   HD23  LEU   5          HD23      LEU   5   4.239  -5.832   0.577
   46    H    THR   6           HN       THR   6   5.649  -9.893  -0.672
   47    HA   THR   6           HA       THR   6   5.349  -9.238  -3.504
   48    HB   THR   6           HB       THR   6   4.044 -11.305  -3.661
   49    HG1  THR   6           HG1      THR   6   4.615 -11.569  -0.854
   50   HG21  THR   6          HG21      THR   6   5.837 -12.923  -3.177
   51   HG22  THR   6          HG22      THR   6   6.657 -11.714  -2.186
   52   HG23  THR   6          HG23      THR   6   6.490 -11.465  -3.922
   53    H    THR   7           HN       THR   7   2.914  -9.705  -4.163
   54    HA   THR   7           HA       THR   7   1.274  -7.733  -3.197
   55    HB   THR   7           HB       THR   7  -0.510  -9.380  -4.304
   56    HG1  THR   7           HG1      THR   7   0.507 -11.148  -4.847
   57   HG21  THR   7          HG21      THR   7   0.184  -7.186  -5.186
   58   HG22  THR   7          HG22      THR   7   0.086  -8.383  -6.477
   59   HG23  THR   7          HG23      THR   7   1.657  -7.912  -5.828
   60    H    ASP   8           HN       ASP   8   1.710 -11.013  -2.012
   61    HA   ASP   8           HA       ASP   8  -0.718 -11.023  -0.485
   62    HB2  ASP   8           HB2      ASP   8   0.387 -13.151  -1.157
   63    HB3  ASP   8           HB1      ASP   8   1.742 -12.758  -0.103
   64    H    ASP   9           HN       ASP   9   2.661 -10.358   0.168
   65    HA   ASP   9           HA       ASP   9   2.461  -9.922   2.964
   66    HB2  ASP   9           HB2      ASP   9   4.399  -8.646   1.006
   67    HB3  ASP   9           HB1      ASP   9   4.578  -8.652   2.749
   68    H    LEU  10           HN       LEU  10   2.165  -7.839   0.169
   69    HA   LEU  10           HA       LEU  10   1.793  -5.411   1.571
   70    HB2  LEU  10           HB2      LEU  10   2.470  -5.581  -0.814
   71    HB3  LEU  10           HB1      LEU  10   0.870  -6.165  -1.207
   72    HG   LEU  10           HG       LEU  10  -0.084  -3.994  -0.527
   73   HD11  LEU  10          HD11      LEU  10   1.394  -2.100  -0.094
   74   HD12  LEU  10          HD12      LEU  10   2.793  -3.174  -0.154
   75   HD13  LEU  10          HD13      LEU  10   1.595  -3.357   1.127
   76   HD21  LEU  10          HD21      LEU  10   0.542  -4.390  -2.861
   77   HD22  LEU  10          HD22      LEU  10   2.161  -3.776  -2.532
   78   HD23  LEU  10          HD23      LEU  10   0.768  -2.701  -2.411
   79    H    ARG  11           HN       ARG  11  -0.449  -7.790   0.206
   80    HA   ARG  11           HA       ARG  11  -2.863  -6.577   0.718
   81    HB2  ARG  11           HB2      ARG  11  -2.672  -8.604  -0.608
   82    HB3  ARG  11           HB1      ARG  11  -2.184  -9.513   0.804
   83    HG2  ARG  11           HG2      ARG  11  -4.341  -9.435   1.746
   84    HG3  ARG  11           HG1      ARG  11  -4.865  -8.170   0.628
   85    HD2  ARG  11           HD2      ARG  11  -5.742 -10.431   0.064
   86    HD3  ARG  11           HD1      ARG  11  -4.791  -9.693  -1.222
   87    HE   ARG  11           HE       ARG  11  -3.450 -11.510   0.611
   88   HH11  ARG  11          HH11      ARG  11  -4.956 -11.066  -2.573
   89   HH12  ARG  11          HH12      ARG  11  -4.063 -12.296  -3.346
   90   HH21  ARG  11          HH21      ARG  11  -2.244 -13.272  -0.439
   91   HH22  ARG  11          HH22      ARG  11  -2.512 -13.621  -2.075
   92    H    ARG  12           HN       ARG  12  -0.969  -8.585   2.880
   93    HA   ARG  12           HA       ARG  12  -2.734  -8.730   5.062
   94    HB2  ARG  12           HB2      ARG  12   0.280  -8.457   5.274
   95    HB3  ARG  12           HB1      ARG  12  -0.793  -9.228   6.429
   96    HG2  ARG  12           HG2      ARG  12  -1.215 -11.041   4.913
   97    HG3  ARG  12           HG1      ARG  12  -0.324 -10.228   3.628
   98    HD2  ARG  12           HD2      ARG  12   1.682 -10.293   5.206
   99    HD3  ARG  12           HD1      ARG  12   0.742 -11.432   6.169
  100    HE   ARG  12           HE       ARG  12   0.731 -12.351   3.536
  101   HH11  ARG  12          HH11      ARG  12   3.068 -12.087   6.215
  102   HH12  ARG  12          HH12      ARG  12   4.200 -13.121   5.452
  103   HH21  ARG  12          HH21      ARG  12   2.151 -13.773   2.649
  104   HH22  ARG  12          HH22      ARG  12   3.653 -14.193   3.376
  105    H    ALA  13           HN       ALA  13  -0.331  -6.281   4.246
  106    HA   ALA  13           HA       ALA  13  -0.843  -4.648   6.519
  107    HB1  ALA  13           HB1      ALA  13   0.436  -3.894   3.896
  108    HB2  ALA  13           HB2      ALA  13   1.273  -4.565   5.295
  109    HB3  ALA  13           HB3      ALA  13   0.518  -2.974   5.398
  110    H    LEU  14           HN       LEU  14  -1.904  -4.475   3.140
  111    HA   LEU  14           HA       LEU  14  -3.348  -2.063   3.456
  112    HB2  LEU  14           HB2      LEU  14  -3.613  -4.166   1.316
  113    HB3  LEU  14           HB1      LEU  14  -4.389  -2.601   1.270
  114    HG   LEU  14           HG       LEU  14  -1.426  -3.152   1.150
  115   HD11  LEU  14          HD11      LEU  14  -2.615  -3.627  -0.904
  116   HD12  LEU  14          HD12      LEU  14  -1.610  -2.191  -1.083
  117   HD13  LEU  14          HD13      LEU  14  -3.352  -2.026  -0.863
  118   HD21  LEU  14          HD21      LEU  14  -2.884  -0.507   1.135
  119   HD22  LEU  14          HD22      LEU  14  -1.157  -0.736   0.843
  120   HD23  LEU  14          HD23      LEU  14  -1.848  -1.126   2.420
  121    H    VAL  15           HN       VAL  15  -4.274  -5.373   3.963
  122    HA   VAL  15           HA       VAL  15  -7.053  -4.967   3.904
  123    HB   VAL  15           HB       VAL  15  -5.850  -7.188   3.717
  124   HG11  VAL  15          HG11      VAL  15  -5.434  -8.449   5.749
  125   HG12  VAL  15          HG12      VAL  15  -5.769  -6.973   6.674
  126   HG13  VAL  15          HG13      VAL  15  -4.399  -7.023   5.564
  127   HG21  VAL  15          HG21      VAL  15  -8.147  -7.068   5.650
  128   HG22  VAL  15          HG22      VAL  15  -7.533  -8.506   4.823
  129   HG23  VAL  15          HG23      VAL  15  -8.241  -7.188   3.877
  130    H    GLU  16           HN       GLU  16  -4.766  -3.960   6.151
  131    HA   GLU  16           HA       GLU  16  -6.366  -4.071   8.524
  132    HB2  GLU  16           HB2      GLU  16  -3.962  -2.351   7.952
  133    HB3  GLU  16           HB1      GLU  16  -4.652  -2.693   9.526
  134    HG2  GLU  16           HG2      GLU  16  -4.020  -5.026   9.304
  135    HG3  GLU  16           HG1      GLU  16  -3.358  -4.695   7.700
  136    H    SER  17           HN       SER  17  -5.456  -1.474   6.232
  137    HA   SER  17           HA       SER  17  -6.882   0.441   7.815
  138    HB2  SER  17           HB2      SER  17  -5.559   0.939   5.133
  139    HB3  SER  17           HB1      SER  17  -5.980   2.102   6.382
  140    HG   SER  17           HG       SER  17  -3.745   1.232   6.185
  141    H    ALA  18           HN       ALA  18  -7.304  -0.806   4.457
  142    HA   ALA  18           HA       ALA  18  -9.872   0.496   4.394
  143    HB1  ALA  18           HB1      ALA  18  -8.700  -1.400   2.374
  144    HB2  ALA  18           HB2      ALA  18  -8.558   0.362   2.323
  145    HB3  ALA  18           HB3      ALA  18 -10.141  -0.408   2.163
  146    H    GLY  19           HN       GLY  19 -10.567  -0.496   6.237
  147    HA2  GLY  19           HA2      GLY  19 -12.422  -2.510   5.852
  148    HA3  GLY  19           HA1      GLY  19 -10.985  -3.226   6.586
  149    H    GLU  20           HN       GLU  20 -12.850  -0.277   6.905
  150    HA   GLU  20           HA       GLU  20 -13.077  -0.744   9.754
  151    HB2  GLU  20           HB2      GLU  20 -11.020   0.564   9.512
  152    HB3  GLU  20           HB1      GLU  20 -11.892   1.783   8.593
  153    HG2  GLU  20           HG2      GLU  20 -13.187   2.371  10.525
  154    HG3  GLU  20           HG1      GLU  20 -12.466   1.055  11.450
  155    H    THR  21           HN       THR  21 -15.148  -1.035   9.585
  156    HA   THR  21           HA       THR  21 -17.352  -0.710   9.421
  157    HB   THR  21           HB       THR  21 -16.856   2.287   9.441
  158    HG1  THR  21           HG1      THR  21 -15.884   2.010  11.279
  159   HG21  THR  21          HG21      THR  21 -18.956   0.531  10.752
  160   HG22  THR  21          HG22      THR  21 -19.201   1.504   9.301
  161   HG23  THR  21          HG23      THR  21 -18.879   2.292  10.844
  162    H    ASP  22           HN       ASP  22 -15.739  -0.822   6.993
  163    HA   ASP  22           HA       ASP  22 -17.694   0.361   5.127
  164    HB2  ASP  22           HB2      ASP  22 -15.918   0.521   3.409
  165    HB3  ASP  22           HB1      ASP  22 -15.540   1.495   4.821
  166    H    GLY  23           HN       GLY  23 -16.475  -2.413   6.416
  167    HA2  GLY  23           HA2      GLY  23 -17.429  -4.509   5.929
  168    HA3  GLY  23           HA1      GLY  23 -17.696  -3.978   4.270
  169    H    THR  24           HN       THR  24 -14.759  -2.865   4.977
  170    HA   THR  24           HA       THR  24 -12.650  -3.405   4.630
  171    HB   THR  24           HB       THR  24 -13.433  -6.342   4.744
  172    HG1  THR  24           HG1      THR  24 -13.704  -4.537   6.587
  173   HG21  THR  24          HG21      THR  24 -11.089  -6.645   5.472
  174   HG22  THR  24          HG22      THR  24 -10.816  -4.909   5.308
  175   HG23  THR  24          HG23      THR  24 -11.162  -5.888   3.880
  176    H    ASP  25           HN       ASP  25 -13.361  -2.421   2.668
  177    HA   ASP  25           HA       ASP  25 -14.027  -3.962   0.401
  178    HB2  ASP  25           HB2      ASP  25 -14.510  -1.530   0.586
  179    HB3  ASP  25           HB1      ASP  25 -12.791  -1.201   0.365
  180    H    LEU  26           HN       LEU  26 -10.942  -3.199   1.783
  181    HA   LEU  26           HA       LEU  26  -9.496  -4.085  -0.568
  182    HB2  LEU  26           HB2      LEU  26  -8.610  -2.418   1.178
  183    HB3  LEU  26           HB1      LEU  26  -8.394  -3.791   2.238
  184    HG   LEU  26           HG       LEU  26  -6.286  -3.066   1.214
  185   HD11  LEU  26          HD11      LEU  26  -6.431  -5.412   1.770
  186   HD12  LEU  26          HD12      LEU  26  -5.459  -5.172   0.315
  187   HD13  LEU  26          HD13      LEU  26  -7.117  -5.764   0.183
  188   HD21  LEU  26          HD21      LEU  26  -5.891  -3.331  -1.176
  189   HD22  LEU  26          HD22      LEU  26  -7.148  -2.141  -0.835
  190   HD23  LEU  26          HD23      LEU  26  -7.587  -3.752  -1.403
  191    H    SER  27           HN       SER  27 -10.285  -6.076  -0.962
  192    HA   SER  27           HA       SER  27  -9.076  -8.192   0.543
  193    HB2  SER  27           HB2      SER  27 -12.070  -8.078   0.084
  194    HB3  SER  27           HB1      SER  27 -11.202  -9.496   0.676
  195    HG   SER  27           HG       SER  27 -10.662  -7.212   2.061
  196    H    GLY  28           HN       GLY  28  -8.753  -9.972  -0.754
  197    HA2  GLY  28           HA2      GLY  28  -8.906 -11.270  -2.713
  198    HA3  GLY  28           HA1      GLY  28  -9.822  -9.975  -3.468
  199    H    ASP  29           HN       ASP  29  -8.830  -8.741  -4.874
  200    HA   ASP  29           HA       ASP  29  -5.886  -8.755  -4.957
  201    HB2  ASP  29           HB2      ASP  29  -7.166 -10.056  -6.815
  202    HB3  ASP  29           HB1      ASP  29  -7.632  -8.464  -7.400
  203    H    PHE  30           HN       PHE  30  -5.052  -6.804  -5.943
  204    HA   PHE  30           HA       PHE  30  -6.767  -4.479  -6.123
  205    HB2  PHE  30           HB2      PHE  30  -5.585  -3.244  -4.252
  206    HB3  PHE  30           HB1      PHE  30  -6.596  -4.578  -3.747
  207    HD1  PHE  30           HD2      PHE  30  -3.081  -3.734  -4.484
  208    HD2  PHE  30           HD1      PHE  30  -5.749  -6.288  -2.397
  209    HE1  PHE  30           HE2      PHE  30  -1.204  -4.691  -3.260
  210    HE2  PHE  30           HE1      PHE  30  -3.868  -7.253  -1.158
  211    HZ   PHE  30           HZ       PHE  30  -1.628  -6.593  -1.638
  212    H    LEU  31           HN       LEU  31  -4.106  -6.136  -7.137
  213    HA   LEU  31           HA       LEU  31  -1.987  -4.340  -7.092
  214    HB2  LEU  31           HB2      LEU  31  -1.611  -6.628  -7.415
  215    HB3  LEU  31           HB1      LEU  31  -2.552  -6.679  -8.907
  216    HG   LEU  31           HG       LEU  31  -0.784  -5.253  -9.918
  217   HD11  LEU  31          HD11      LEU  31   0.666  -5.826  -7.330
  218   HD12  LEU  31          HD12      LEU  31   0.107  -4.244  -7.878
  219   HD13  LEU  31          HD13      LEU  31   1.383  -5.084  -8.762
  220   HD21  LEU  31          HD21      LEU  31   0.108  -7.883  -8.749
  221   HD22  LEU  31          HD22      LEU  31   0.860  -7.068 -10.120
  222   HD23  LEU  31          HD23      LEU  31  -0.798  -7.656 -10.245
  223    H    ASP  32           HN       ASP  32  -4.355  -4.849  -9.674
  224    HA   ASP  32           HA       ASP  32  -3.176  -2.627 -11.191
  225    HB2  ASP  32           HB2      ASP  32  -3.652  -4.771 -12.351
  226    HB3  ASP  32           HB1      ASP  32  -5.351  -4.604 -11.941
  227    H    LEU  33           HN       LEU  33  -5.339  -3.022  -8.827
  228    HA   LEU  33           HA       LEU  33  -7.445  -1.321  -9.830
  229    HB2  LEU  33           HB2      LEU  33  -7.025  -2.647  -7.151
  230    HB3  LEU  33           HB1      LEU  33  -8.332  -1.531  -7.455
  231    HG   LEU  33           HG       LEU  33  -9.189  -3.131  -9.198
  232   HD11  LEU  33          HD11      LEU  33  -7.146  -4.999  -8.018
  233   HD12  LEU  33          HD12      LEU  33  -7.150  -4.360  -9.660
  234   HD13  LEU  33          HD13      LEU  33  -8.440  -5.439  -9.128
  235   HD21  LEU  33          HD21      LEU  33  -8.945  -4.163  -6.386
  236   HD22  LEU  33          HD22      LEU  33 -10.129  -4.693  -7.580
  237   HD23  LEU  33          HD23      LEU  33 -10.154  -3.031  -6.990
  238    H    ARG  34           HN       ARG  34  -7.852   0.685  -9.114
  239    HA   ARG  34           HA       ARG  34  -5.558   2.205  -8.298
  240    HB2  ARG  34           HB2      ARG  34  -8.431   3.014  -8.821
  241    HB3  ARG  34           HB1      ARG  34  -7.159   4.145  -8.409
  242    HG2  ARG  34           HG2      ARG  34  -7.457   4.273 -10.783
  243    HG3  ARG  34           HG1      ARG  34  -5.957   3.408 -10.446
  244    HD2  ARG  34           HD2      ARG  34  -6.889   1.318 -11.041
  245    HD3  ARG  34           HD1      ARG  34  -8.525   1.972 -11.062
  246    HE   ARG  34           HE       ARG  34  -7.522   3.427 -12.952
  247   HH11  ARG  34          HH11      ARG  34  -6.711  -0.024 -12.459
  248   HH12  ARG  34          HH12      ARG  34  -6.580  -0.323 -14.130
  249   HH21  ARG  34          HH21      ARG  34  -7.304   2.938 -15.234
  250   HH22  ARG  34          HH22      ARG  34  -6.925   1.370 -15.743
  251    H    PHE  35           HN       PHE  35  -5.192   3.146  -6.312
  252    HA   PHE  35           HA       PHE  35  -6.100   1.987  -3.974
  253    HB2  PHE  35           HB2      PHE  35  -4.895   4.698  -4.411
  254    HB3  PHE  35           HB1      PHE  35  -5.417   4.193  -2.811
  255    HD1  PHE  35           HD1      PHE  35  -4.493   1.890  -2.010
  256    HD2  PHE  35           HD2      PHE  35  -2.739   4.250  -5.076
  257    HE1  PHE  35           HE1      PHE  35  -2.339   0.773  -1.623
  258    HE2  PHE  35           HE2      PHE  35  -0.579   3.133  -4.703
  259    HZ   PHE  35           HZ       PHE  35  -0.375   1.395  -2.973
  260    H    GLU  36           HN       GLU  36  -7.361   4.930  -5.401
  261    HA   GLU  36           HA       GLU  36  -9.261   5.567  -3.490
  262    HB2  GLU  36           HB2      GLU  36 -10.420   6.749  -5.364
  263    HB3  GLU  36           HB1      GLU  36  -8.725   7.153  -5.143
  264    HG2  GLU  36           HG2      GLU  36  -8.109   5.775  -7.015
  265    HG3  GLU  36           HG1      GLU  36  -9.774   5.218  -7.188
  266    H    ASP  37           HN       ASP  37  -9.339   3.090  -5.868
  267    HA   ASP  37           HA       ASP  37 -12.196   2.692  -5.646
  268    HB2  ASP  37           HB2      ASP  37 -11.231   2.543  -7.854
  269    HB3  ASP  37           HB1      ASP  37 -10.045   1.372  -7.310
  270    H    ILE  38           HN       ILE  38  -9.283   1.529  -4.241
  271    HA   ILE  38           HA       ILE  38 -10.673  -0.817  -3.186
  272    HB   ILE  38           HB       ILE  38  -8.461  -1.652  -2.424
  273   HG12  ILE  38          HG12      ILE  38  -7.369   0.708  -3.982
  274   HG13  ILE  38          HG11      ILE  38  -7.300   0.513  -2.239
  275   HG21  ILE  38          HG21      ILE  38  -7.650  -2.263  -4.646
  276   HG22  ILE  38          HG22      ILE  38  -8.697  -1.022  -5.346
  277   HG23  ILE  38          HG23      ILE  38  -9.405  -2.399  -4.501
  278   HD11  ILE  38          HD11      ILE  38  -5.166   0.006  -3.285
  279   HD12  ILE  38          HD12      ILE  38  -5.931  -1.244  -4.269
  280   HD13  ILE  38          HD13      ILE  38  -5.850  -1.427  -2.516
  281    H    GLY  39           HN       GLY  39 -11.052   1.901  -2.243
  282    HA2  GLY  39           HA2      GLY  39 -11.901   2.483  -0.120
  283    HA3  GLY  39           HA1      GLY  39 -10.955   1.192   0.583
  284    H    TYR  40           HN       TYR  40  -8.942   3.046  -1.371
  285    HA   TYR  40           HA       TYR  40  -8.077   4.499   1.011
  286    HB2  TYR  40           HB2      TYR  40  -6.511   3.529  -1.372
  287    HB3  TYR  40           HB1      TYR  40  -5.863   4.724  -0.249
  288    HD1  TYR  40           HD1      TYR  40  -7.151   1.304  -0.531
  289    HD2  TYR  40           HD2      TYR  40  -4.961   4.044   1.848
  290    HE1  TYR  40           HE1      TYR  40  -6.391  -0.544   0.871
  291    HE2  TYR  40           HE2      TYR  40  -4.194   2.195   3.273
  292    HH   TYR  40           HH       TYR  40  -4.685  -0.044   3.804
  293    H    ASP  41           HN       ASP  41  -8.801   6.445   1.084
  294    HA   ASP  41           HA       ASP  41  -9.497   7.899  -1.315
  295    HB2  ASP  41           HB2      ASP  41 -10.852   7.941   0.804
  296    HB3  ASP  41           HB1      ASP  41  -9.529   8.794   1.568
  297    H    SER  42           HN       SER  42  -7.367   8.312   1.381
  298    HA   SER  42           HA       SER  42  -5.049   9.040   0.016
  299    HB2  SER  42           HB2      SER  42  -4.904  11.479   0.420
  300    HB3  SER  42           HB1      SER  42  -6.260  11.089  -0.648
  301    H    LEU  43           HN       LEU  43  -6.891   9.988   2.876
  302    HA   LEU  43           HA       LEU  43  -4.735  10.249   4.637
  303    HB2  LEU  43           HB2      LEU  43  -6.981  11.060   5.138
  304    HB3  LEU  43           HB1      LEU  43  -7.553   9.410   5.286
  305    HG   LEU  43           HG       LEU  43  -6.071   9.079   7.230
  306   HD11  LEU  43          HD11      LEU  43  -5.476  12.019   6.922
  307   HD12  LEU  43          HD12      LEU  43  -4.337  10.696   6.673
  308   HD13  LEU  43          HD13      LEU  43  -4.994  11.001   8.278
  309   HD21  LEU  43          HD21      LEU  43  -8.375   9.755   7.541
  310   HD22  LEU  43          HD22      LEU  43  -7.896  11.452   7.409
  311   HD23  LEU  43          HD23      LEU  43  -7.334  10.477   8.774
  312    H    ALA  44           HN       ALA  44  -6.768   7.412   4.000
  313    HA   ALA  44           HA       ALA  44  -5.485   5.691   5.827
  314    HB1  ALA  44           HB1      ALA  44  -7.671   5.202   4.818
  315    HB2  ALA  44           HB2      ALA  44  -6.532   3.874   4.579
  316    HB3  ALA  44           HB3      ALA  44  -6.894   4.975   3.251
  317    H    LEU  45           HN       LEU  45  -4.689   6.748   2.655
  318    HA   LEU  45           HA       LEU  45  -2.835   4.678   2.062
  319    HB2  LEU  45           HB2      LEU  45  -3.919   5.952   0.277
  320    HB3  LEU  45           HB1      LEU  45  -3.161   7.422   0.843
  321    HG   LEU  45           HG       LEU  45  -0.960   6.547   0.214
  322   HD11  LEU  45          HD11      LEU  45  -1.385   4.172   0.540
  323   HD12  LEU  45          HD12      LEU  45  -0.774   4.485  -1.088
  324   HD13  LEU  45          HD13      LEU  45  -2.490   4.169  -0.836
  325   HD21  LEU  45          HD21      LEU  45  -1.280   6.614  -2.222
  326   HD22  LEU  45          HD22      LEU  45  -2.223   7.855  -1.400
  327   HD23  LEU  45          HD23      LEU  45  -3.018   6.400  -1.991
  328    H    MET  46           HN       MET  46  -2.504   8.042   3.211
  329    HA   MET  46           HA       MET  46   0.321   7.865   3.428
  330    HB2  MET  46           HB2      MET  46   0.285   9.947   4.684
  331    HB3  MET  46           HB1      MET  46  -0.838  10.067   3.339
  332    HG2  MET  46           HG2      MET  46  -2.706   9.688   4.862
  333    HG3  MET  46           HG1      MET  46  -1.581   9.521   6.203
  334    HE1  MET  46           HE1      MET  46  -0.083  11.533   7.147
  335    HE2  MET  46           HE2      MET  46  -0.094  13.153   6.448
  336    HE3  MET  46           HE3      MET  46   0.568  11.799   5.530
  337    H    GLU  47           HN       GLU  47  -2.280   7.074   5.640
  338    HA   GLU  47           HA       GLU  47  -0.742   6.640   7.943
  339    HB2  GLU  47           HB2      GLU  47  -3.285   5.389   6.965
  340    HB3  GLU  47           HB1      GLU  47  -2.668   5.039   8.555
  341    HG2  GLU  47           HG2      GLU  47  -2.784   7.556   8.972
  342    HG3  GLU  47           HG1      GLU  47  -3.661   7.658   7.446
  343    H    THR  48           HN       THR  48  -1.871   4.339   5.501
  344    HA   THR  48           HA       THR  48  -0.488   2.132   6.509
  345    HB   THR  48           HB       THR  48  -1.293   2.570   3.629
  346    HG1  THR  48           HG1      THR  48  -3.126   2.902   4.784
  347   HG21  THR  48          HG21      THR  48  -1.579   0.132   3.679
  348   HG22  THR  48          HG22      THR  48  -1.000   0.093   5.344
  349   HG23  THR  48          HG23      THR  48   0.088   0.582   4.040
  350    H    ALA  49           HN       ALA  49   0.474   4.572   4.106
  351    HA   ALA  49           HA       ALA  49   2.823   3.421   3.187
  352    HB1  ALA  49           HB1      ALA  49   1.827   5.443   2.214
  353    HB2  ALA  49           HB2      ALA  49   3.532   5.691   2.602
  354    HB3  ALA  49           HB3      ALA  49   2.283   6.359   3.651
  355    H    ALA  50           HN       ALA  50   2.405   5.665   5.921
  356    HA   ALA  50           HA       ALA  50   5.098   5.647   6.760
  357    HB1  ALA  50           HB1      ALA  50   2.610   6.191   8.372
  358    HB2  ALA  50           HB2      ALA  50   3.497   7.373   7.409
  359    HB3  ALA  50           HB3      ALA  50   4.257   6.638   8.820
  360    H    ARG  51           HN       ARG  51   2.337   3.674   7.566
  361    HA   ARG  51           HA       ARG  51   3.480   2.243   9.693
  362    HB2  ARG  51           HB2      ARG  51   1.060   2.336   9.080
  363    HB3  ARG  51           HB1      ARG  51   1.416   1.268   7.731
  364    HG2  ARG  51           HG2      ARG  51   2.189  -0.438   9.318
  365    HG3  ARG  51           HG1      ARG  51   1.745   0.637  10.649
  366    HD2  ARG  51           HD2      ARG  51  -0.077  -0.542   8.568
  367    HD3  ARG  51           HD1      ARG  51  -0.042  -0.922  10.292
  368    HE   ARG  51           HE       ARG  51  -0.512   1.643  10.412
  369   HH11  ARG  51          HH11      ARG  51  -2.162  -0.933   8.655
  370   HH12  ARG  51          HH12      ARG  51  -3.455   0.079   8.137
  371   HH21  ARG  51          HH21      ARG  51  -2.286   2.982   9.780
  372   HH22  ARG  51          HH22      ARG  51  -3.589   2.370   8.865
  373    H    LEU  52           HN       LEU  52   3.366   1.644   6.198
  374    HA   LEU  52           HA       LEU  52   4.664  -0.844   6.142
  375    HB2  LEU  52           HB2      LEU  52   4.764   1.373   4.095
  376    HB3  LEU  52           HB1      LEU  52   5.303  -0.269   3.815
  377    HG   LEU  52           HG       LEU  52   2.466   0.578   4.391
  378   HD11  LEU  52          HD11      LEU  52   3.767  -0.353   1.845
  379   HD12  LEU  52          HD12      LEU  52   3.234   1.289   2.203
  380   HD13  LEU  52          HD13      LEU  52   2.050  -0.013   2.069
  381   HD21  LEU  52          HD21      LEU  52   1.893  -1.727   3.822
  382   HD22  LEU  52          HD22      LEU  52   2.950  -1.655   5.233
  383   HD23  LEU  52          HD23      LEU  52   3.605  -2.115   3.661
  384    H    GLU  53           HN       GLU  53   5.918   2.440   6.069
  385    HA   GLU  53           HA       GLU  53   8.619   1.861   5.751
  386    HB2  GLU  53           HB2      GLU  53   7.353   4.133   7.292
  387    HB3  GLU  53           HB1      GLU  53   9.045   4.059   6.822
  388    HG2  GLU  53           HG2      GLU  53   8.333   3.991   4.457
  389    HG3  GLU  53           HG1      GLU  53   6.666   4.203   4.986
  390    H    SER  54           HN       SER  54   6.811   2.379   8.728
  391    HA   SER  54           HA       SER  54   8.880   1.790  10.517
  392    HB2  SER  54           HB2      SER  54   6.813   2.994  11.119
  393    HB3  SER  54           HB1      SER  54   5.880   1.522  10.873
  394    HG   SER  54           HG       SER  54   7.807   2.114  12.834
  395    H    ARG  55           HN       ARG  55   6.283  -0.280   9.265
  396    HA   ARG  55           HA       ARG  55   6.808  -2.580  10.786
  397    HB2  ARG  55           HB2      ARG  55   4.686  -2.068   9.705
  398    HB3  ARG  55           HB1      ARG  55   5.428  -2.270   8.135
  399    HG2  ARG  55           HG2      ARG  55   5.765  -4.659   8.617
  400    HG3  ARG  55           HG1      ARG  55   4.981  -4.436  10.192
  401    HD2  ARG  55           HD2      ARG  55   2.992  -3.544   9.020
  402    HD3  ARG  55           HD1      ARG  55   3.769  -3.909   7.490
  403    HE   ARG  55           HE       ARG  55   3.728  -6.308   8.381
  404   HH11  ARG  55          HH11      ARG  55   1.366  -3.890   9.376
  405   HH12  ARG  55          HH12      ARG  55   0.002  -4.883   9.344
  406   HH21  ARG  55          HH21      ARG  55   1.860  -7.793   8.294
  407   HH22  ARG  55          HH22      ARG  55   0.304  -7.201   8.705
  408    H    TYR  56           HN       TYR  56   7.665  -1.857   7.381
  409    HA   TYR  56           HA       TYR  56   9.086  -4.394   7.358
  410    HB2  TYR  56           HB2      TYR  56   8.336  -2.572   5.078
  411    HB3  TYR  56           HB1      TYR  56   9.210  -4.093   4.901
  412    HD1  TYR  56           HD2      TYR  56   8.021  -6.209   5.883
  413    HD2  TYR  56           HD1      TYR  56   6.017  -2.569   4.968
  414    HE1  TYR  56           HE2      TYR  56   5.875  -7.414   5.786
  415    HE2  TYR  56           HE1      TYR  56   3.869  -3.763   4.873
  416    HH   TYR  56           HH       TYR  56   3.396  -6.869   6.054
  417    H    GLY  57           HN       GLY  57   9.809  -1.093   7.672
  418    HA2  GLY  57           HA2      GLY  57  11.922  -0.239   8.126
  419    HA3  GLY  57           HA1      GLY  57  12.635  -1.743   7.549
  420    H    VAL  58           HN       VAL  58  10.312   0.287   5.903
  421    HA   VAL  58           HA       VAL  58  12.313   0.692   3.821
  422    HB   VAL  58           HB       VAL  58  10.498   0.958   2.165
  423   HG11  VAL  58          HG11      VAL  58  11.515  -1.216   2.432
  424   HG12  VAL  58          HG12      VAL  58   9.802  -1.382   2.049
  425   HG13  VAL  58          HG13      VAL  58  10.363  -1.623   3.704
  426   HG21  VAL  58          HG21      VAL  58   8.720   1.732   3.641
  427   HG22  VAL  58          HG22      VAL  58   8.660   0.155   4.420
  428   HG23  VAL  58          HG23      VAL  58   8.197   0.319   2.726
  429    H    SER  59           HN       SER  59  11.681   2.692   2.412
  430    HA   SER  59           HA       SER  59  10.884   4.902   4.144
  431    HB2  SER  59           HB2      SER  59  13.242   4.929   2.234
  432    HB3  SER  59           HB1      SER  59  12.761   6.207   3.353
  433    HG   SER  59           HG       SER  59  13.826   3.664   3.897
  434    H    ILE  60           HN       ILE  60   9.191   5.767   3.172
  435    HA   ILE  60           HA       ILE  60   8.969   5.585   0.248
  436    HB   ILE  60           HB       ILE  60   6.747   6.028   2.272
  437   HG12  ILE  60          HG12      ILE  60   7.417   3.560   0.638
  438   HG13  ILE  60          HG11      ILE  60   7.687   3.738   2.365
  439   HG21  ILE  60          HG21      ILE  60   6.631   5.566  -0.718
  440   HG22  ILE  60          HG22      ILE  60   6.296   7.083   0.110
  441   HG23  ILE  60          HG23      ILE  60   5.237   5.693   0.359
  442   HD11  ILE  60          HD11      ILE  60   5.015   3.764   0.979
  443   HD12  ILE  60          HD12      ILE  60   5.275   3.942   2.713
  444   HD13  ILE  60          HD13      ILE  60   5.695   2.429   1.908
  445    HA   PRO  61           HA       PRO  61   9.746  10.026   0.548
  446    HB2  PRO  61           HB2      PRO  61   9.365   9.799  -2.390
  447    HB3  PRO  61           HB1      PRO  61  10.712  10.501  -1.487
  448    HG2  PRO  61           HG2      PRO  61  10.985   8.162  -2.730
  449    HG3  PRO  61           HG1      PRO  61  11.726   8.437  -1.141
  450    HD2  PRO  61           HD2      PRO  61   9.209   6.964  -1.827
  451    HD3  PRO  61           HD1      PRO  61  10.492   6.519  -0.680
  452    H    ASP  62           HN       ASP  62   8.392  11.714   0.525
  453    HA   ASP  62           HA       ASP  62   5.669  11.340   0.849
  454    HB2  ASP  62           HB2      ASP  62   7.119  13.929   0.252
  455    HB3  ASP  62           HB1      ASP  62   5.465  13.821   0.820
  456    H    ASP  63           HN       ASP  63   7.326  12.724  -1.987
  457    HA   ASP  63           HA       ASP  63   4.814  13.215  -3.286
  458    HB2  ASP  63           HB2      ASP  63   6.009  13.965  -5.236
  459    HB3  ASP  63           HB1      ASP  63   6.848  14.582  -3.826
  460    H    VAL  64           HN       VAL  64   6.844  10.504  -3.064
  461    HA   VAL  64           HA       VAL  64   5.913   9.213  -5.454
  462    HB   VAL  64           HB       VAL  64   7.302   8.026  -3.019
  463   HG11  VAL  64          HG11      VAL  64   6.086   6.319  -4.286
  464   HG12  VAL  64          HG12      VAL  64   7.828   6.121  -4.476
  465   HG13  VAL  64          HG13      VAL  64   6.878   6.849  -5.772
  466   HG21  VAL  64          HG21      VAL  64   8.664   9.690  -4.154
  467   HG22  VAL  64          HG22      VAL  64   8.407   8.872  -5.694
  468   HG23  VAL  64          HG23      VAL  64   9.314   8.069  -4.411
  469    H    ALA  65           HN       ALA  65   5.173   9.077  -2.011
  470    HA   ALA  65           HA       ALA  65   3.253   7.042  -2.083
  471    HB1  ALA  65           HB1      ALA  65   2.495   7.898   0.067
  472    HB2  ALA  65           HB2      ALA  65   3.365   9.404  -0.210
  473    HB3  ALA  65           HB3      ALA  65   4.257   7.897  -0.011
  474    H    GLY  66           HN       GLY  66   3.032  10.380  -2.997
  475    HA2  GLY  66           HA2      GLY  66   0.119  10.204  -3.191
  476    HA3  GLY  66           HA1      GLY  66   1.080  11.660  -3.386
  477    H    ARG  67           HN       ARG  67   2.676   9.431  -5.187
  478    HA   ARG  67           HA       ARG  67   1.222  10.311  -7.589
  479    HB2  ARG  67           HB2      ARG  67   3.188   9.970  -8.873
  480    HB3  ARG  67           HB1      ARG  67   3.718  10.767  -7.401
  481    HG2  ARG  67           HG2      ARG  67   4.505   8.643  -6.512
  482    HG3  ARG  67           HG1      ARG  67   3.926   7.813  -7.954
  483    HD2  ARG  67           HD2      ARG  67   5.435   9.247  -9.307
  484    HD3  ARG  67           HD1      ARG  67   6.072   9.917  -7.806
  485    HE   ARG  67           HE       ARG  67   6.205   7.022  -8.184
  486   HH11  ARG  67          HH11      ARG  67   7.907  10.121  -8.061
  487   HH12  ARG  67          HH12      ARG  67   9.451   9.402  -8.112
  488   HH21  ARG  67          HH21      ARG  67   8.297   6.081  -8.213
  489   HH22  ARG  67          HH22      ARG  67   9.684   7.107  -8.151
  490    H    VAL  68           HN       VAL  68   1.725   7.639  -5.623
  491    HA   VAL  68           HA       VAL  68   1.374   5.721  -7.736
  492    HB   VAL  68           HB       VAL  68   1.490   3.986  -5.939
  493   HG11  VAL  68          HG11      VAL  68   3.726   6.002  -5.896
  494   HG12  VAL  68          HG12      VAL  68   3.512   4.697  -7.061
  495   HG13  VAL  68          HG13      VAL  68   3.848   4.323  -5.370
  496   HG21  VAL  68          HG21      VAL  68   1.968   6.321  -4.069
  497   HG22  VAL  68          HG22      VAL  68   2.184   4.617  -3.670
  498   HG23  VAL  68          HG23      VAL  68   0.573   5.236  -4.042
  499    H    ASP  69           HN       ASP  69  -0.501   5.673  -8.599
  500    HA   ASP  69           HA       ASP  69  -2.897   5.960  -6.976
  501    HB2  ASP  69           HB2      ASP  69  -4.146   6.099  -9.062
  502    HB3  ASP  69           HB1      ASP  69  -2.769   7.184  -9.143
  503    H    THR  70           HN       THR  70  -0.940   3.507  -8.298
  504    HA   THR  70           HA       THR  70  -3.006   1.564  -7.591
  505    HB   THR  70           HB       THR  70  -1.956   0.027  -9.297
  506    HG1  THR  70           HG1      THR  70  -0.570   2.413  -9.887
  507   HG21  THR  70          HG21      THR  70  -3.194   2.558 -10.404
  508   HG22  THR  70          HG22      THR  70  -4.073   1.153  -9.804
  509   HG23  THR  70          HG23      THR  70  -3.081   1.018 -11.257
  510    HA   PRO  71           HA       PRO  71  -0.094   0.034  -4.648
  511    HB2  PRO  71           HB2      PRO  71  -1.127  -2.637  -5.460
  512    HB3  PRO  71           HB1      PRO  71  -0.996  -1.924  -3.845
  513    HG2  PRO  71           HG2      PRO  71  -3.349  -2.061  -5.009
  514    HG3  PRO  71           HG1      PRO  71  -2.876  -0.579  -4.153
  515    HD2  PRO  71           HD2      PRO  71  -2.893  -1.140  -7.094
  516    HD3  PRO  71           HD1      PRO  71  -3.430   0.314  -6.223
  517    H    ARG  72           HN       ARG  72  -0.201  -1.235  -7.881
  518    HA   ARG  72           HA       ARG  72   1.962  -2.889  -8.038
  519    HB2  ARG  72           HB2      ARG  72   0.550  -2.455  -9.952
  520    HB3  ARG  72           HB1      ARG  72   1.081  -0.781 -10.019
  521    HG2  ARG  72           HG2      ARG  72   3.357  -1.559 -10.593
  522    HG3  ARG  72           HG1      ARG  72   2.760  -3.223 -10.595
  523    HD2  ARG  72           HD2      ARG  72   1.767  -0.989 -12.349
  524    HD3  ARG  72           HD1      ARG  72   2.858  -2.271 -12.860
  525    HE   ARG  72           HE       ARG  72   1.041  -3.837 -12.239
  526   HH11  ARG  72          HH11      ARG  72   0.220  -0.523 -13.292
  527   HH12  ARG  72          HH12      ARG  72  -1.321  -0.959 -13.868
  528   HH21  ARG  72          HH21      ARG  72  -1.110  -4.403 -13.078
  529   HH22  ARG  72          HH22      ARG  72  -2.083  -3.186 -13.737
  530    H    GLU  73           HN       GLU  73   2.003   0.665  -8.486
  531    HA   GLU  73           HA       GLU  73   4.820   0.871  -8.649
  532    HB2  GLU  73           HB2      GLU  73   2.651   2.891  -8.248
  533    HB3  GLU  73           HB1      GLU  73   4.348   3.354  -8.218
  534    HG2  GLU  73           HG2      GLU  73   4.540   2.344 -10.496
  535    HG3  GLU  73           HG1      GLU  73   2.784   2.165 -10.481
  536    H    LEU  74           HN       LEU  74   2.574   1.089  -6.022
  537    HA   LEU  74           HA       LEU  74   4.378   2.173  -4.139
  538    HB2  LEU  74           HB2      LEU  74   1.872   2.204  -3.963
  539    HB3  LEU  74           HB1      LEU  74   1.896   0.488  -3.670
  540    HG   LEU  74           HG       LEU  74   1.499   1.935  -1.639
  541   HD11  LEU  74          HD11      LEU  74   3.914   0.163  -1.513
  542   HD12  LEU  74          HD12      LEU  74   2.231  -0.347  -1.388
  543   HD13  LEU  74          HD13      LEU  74   2.933   0.691  -0.144
  544   HD21  LEU  74          HD21      LEU  74   3.426   3.048  -0.616
  545   HD22  LEU  74          HD22      LEU  74   3.033   3.749  -2.186
  546   HD23  LEU  74          HD23      LEU  74   4.404   2.654  -2.031
  547    H    LEU  75           HN       LEU  75   3.336  -1.132  -4.856
  548    HA   LEU  75           HA       LEU  75   4.853  -2.625  -3.074
  549    HB2  LEU  75           HB2      LEU  75   3.069  -3.493  -4.528
  550    HB3  LEU  75           HB1      LEU  75   4.076  -3.228  -5.932
  551    HG   LEU  75           HG       LEU  75   5.652  -4.940  -5.059
  552   HD11  LEU  75          HD11      LEU  75   3.480  -5.391  -3.029
  553   HD12  LEU  75          HD12      LEU  75   5.098  -4.769  -2.707
  554   HD13  LEU  75          HD13      LEU  75   4.888  -6.424  -3.281
  555   HD21  LEU  75          HD21      LEU  75   4.229  -6.844  -5.617
  556   HD22  LEU  75          HD22      LEU  75   3.964  -5.496  -6.723
  557   HD23  LEU  75          HD23      LEU  75   2.798  -5.829  -5.443
  558    H    ASP  76           HN       ASP  76   5.591  -1.480  -6.298
  559    HA   ASP  76           HA       ASP  76   8.164  -2.468  -6.653
  560    HB2  ASP  76           HB2      ASP  76   6.928  -1.495  -8.469
  561    HB3  ASP  76           HB1      ASP  76   6.874   0.065  -7.657
  562    H    LEU  77           HN       LEU  77   7.130   0.632  -5.266
  563    HA   LEU  77           HA       LEU  77   9.695   1.670  -4.789
  564    HB2  LEU  77           HB2      LEU  77   7.564   2.985  -4.882
  565    HB3  LEU  77           HB1      LEU  77   7.092   2.287  -3.356
  566    HG   LEU  77           HG       LEU  77   7.881   4.662  -3.260
  567   HD11  LEU  77          HD11      LEU  77   9.273   4.453  -1.274
  568   HD12  LEU  77          HD12      LEU  77   9.505   2.739  -1.617
  569   HD13  LEU  77          HD13      LEU  77   7.896   3.351  -1.231
  570   HD21  LEU  77          HD21      LEU  77  10.289   5.112  -3.369
  571   HD22  LEU  77          HD22      LEU  77   9.638   4.555  -4.910
  572   HD23  LEU  77          HD23      LEU  77  10.562   3.451  -3.893
  573    H    ILE  78           HN       ILE  78   7.525  -0.272  -2.835
  574    HA   ILE  78           HA       ILE  78   8.993  -0.225  -0.428
  575    HB   ILE  78           HB       ILE  78   7.193  -2.418  -1.502
  576   HG12  ILE  78          HG12      ILE  78   6.007  -0.295  -1.315
  577   HG13  ILE  78          HG11      ILE  78   5.448  -1.424  -0.088
  578   HG21  ILE  78          HG21      ILE  78   8.182  -1.920   1.299
  579   HG22  ILE  78          HG22      ILE  78   8.561  -3.306   0.270
  580   HG23  ILE  78          HG23      ILE  78   6.912  -3.055   0.858
  581   HD11  ILE  78          HD11      ILE  78   5.661   0.818   0.801
  582   HD12  ILE  78          HD12      ILE  78   7.362   0.856   0.340
  583   HD13  ILE  78          HD13      ILE  78   6.810  -0.272   1.579
  584    H    ASN  79           HN       ASN  79   8.964  -2.556  -3.102
  585    HA   ASN  79           HA       ASN  79  10.902  -4.252  -1.968
  586    HB2  ASN  79           HB2      ASN  79   9.860  -4.021  -4.769
  587    HB3  ASN  79           HB1      ASN  79  11.218  -5.078  -4.412
  588   HD21  ASN  79          HD21      ASN  79   7.813  -4.549  -3.951
  589   HD22  ASN  79          HD22      ASN  79   7.480  -6.123  -3.307
  590    H    GLY  80           HN       GLY  80  11.308  -1.431  -3.994
  591    HA2  GLY  80           HA2      GLY  80  14.132  -1.861  -4.326
  592    HA3  GLY  80           HA1      GLY  80  13.274  -0.332  -4.594
  593    H    ALA  81           HN       ALA  81  12.154  -0.198  -1.986
  594    HA   ALA  81           HA       ALA  81  14.354   0.960  -0.592
  595    HB1  ALA  81           HB1      ALA  81  12.108   1.937  -0.534
  596    HB2  ALA  81           HB2      ALA  81  12.755   1.596   1.074
  597    HB3  ALA  81           HB3      ALA  81  11.534   0.531   0.372
  598    H    LEU  82           HN       LEU  82  12.853  -2.125  -0.532
  599    HA   LEU  82           HA       LEU  82  13.522  -3.028   2.055
  600    HB2  LEU  82           HB2      LEU  82  13.191  -4.552  -0.516
  601    HB3  LEU  82           HB1      LEU  82  13.503  -5.338   1.014
  602    HG   LEU  82           HG       LEU  82  11.072  -3.666   0.375
  603   HD11  LEU  82          HD11      LEU  82  11.425  -6.644   0.665
  604   HD12  LEU  82          HD12      LEU  82  11.142  -5.786  -0.846
  605   HD13  LEU  82          HD13      LEU  82   9.898  -5.804   0.407
  606   HD21  LEU  82          HD21      LEU  82  11.679  -3.588   2.740
  607   HD22  LEU  82          HD22      LEU  82  11.757  -5.351   2.782
  608   HD23  LEU  82          HD23      LEU  82  10.216  -4.541   2.493
  609    H    ALA  83           HN       ALA  83  15.473  -2.411  -0.638
  610    HA   ALA  83           HA       ALA  83  17.604  -4.151  -0.112
  611    HB1  ALA  83           HB1      ALA  83  18.886  -2.727  -1.591
  612    HB2  ALA  83           HB2      ALA  83  17.697  -1.439  -1.416
  613    HB3  ALA  83           HB3      ALA  83  17.254  -2.924  -2.242
  614    H    GLU  84           HN       GLU  84  16.597  -1.165   1.332
  615    HA   GLU  84           HA       GLU  84  19.079  -0.944   2.856
  616    HB2  GLU  84           HB2      GLU  84  16.714   0.934   2.640
  617    HB3  GLU  84           HB1      GLU  84  18.074   1.200   3.711
  618    HG2  GLU  84           HG2      GLU  84  18.426   2.579   1.849
  619    HG3  GLU  84           HG1      GLU  84  19.532   1.229   1.653
  620    H    ALA  85           HN       ALA  85  16.521  -2.811   3.167
  621    HA   ALA  85           HA       ALA  85  15.901  -2.170   5.952
  622    HB1  ALA  85           HB1      ALA  85  14.088  -3.798   5.734
  623    HB2  ALA  85           HB2      ALA  85  14.626  -4.186   4.098
  624    HB3  ALA  85           HB3      ALA  85  13.998  -2.579   4.462
  625    H    ALA  86           HN       ALA  86  16.217  -3.666   7.614
  626    HA   ALA  86           HA       ALA  86  17.987  -5.899   6.939
  627    HB1  ALA  86           HB1      ALA  86  19.101  -5.524   9.095
  628    HB2  ALA  86           HB2      ALA  86  18.070  -4.122   9.385
  629    HB3  ALA  86           HB3      ALA  86  19.234  -4.100   8.060
  630    H28  SXH  87          H28B      SXH  87  -4.507  12.663   2.518
  631   H28A  SXH  87          H28A      SXH  87  -5.290  14.082   3.218
  632    H30  SXH  87          H30C      SXH  87  -1.678  14.848   3.270
  633   H30A  SXH  87          H30A      SXH  87  -2.373  13.237   3.441
  634   H30B  SXH  87          H30B      SXH  87  -3.127  14.612   4.259
  635    H31  SXH  87          H31A      SXH  87  -2.455  12.959   1.058
  636   H31A  SXH  87          H31C      SXH  87  -3.340  14.107   0.049
  637   H31B  SXH  87          H31B      SXH  87  -1.804  14.574   0.777
  638    H32  SXH  87          H32A      SXH  87  -4.536  16.383   2.689
  639   HO33  SXH  87          H33A      SXH  87  -3.819  17.010   0.283
  640   HN36  SXH  87          H36A      SXH  87  -2.861  17.285   3.969
  641    H37  SXH  87          H37A      SXH  87  -0.397  18.311   2.665
  642   H37A  SXH  87          H37B      SXH  87  -1.523  19.394   3.425
  643    H38  SXH  87          H38A      SXH  87   0.150  19.101   4.975
  644   H38A  SXH  87          H38B      SXH  87  -1.242  18.173   5.595
  645   HN41  SXH  87          H41A      SXH  87   0.084  16.561   3.159
  646    H42  SXH  87          H42A      SXH  87   2.465  15.406   4.166
  647   H42A  SXH  87          H42B      SXH  87   1.079  14.391   4.555
  648    H43  SXH  87          H43A      SXH  87   1.915  15.259   1.806
  649   H43A  SXH  87          H43B      SXH  87   0.459  14.338   2.206
  650    H2   SXH  87           H2A      SXH  87   1.618  10.789   1.537
  651    H2A  SXH  87           H2B      SXH  87   2.046  10.863  -0.183
  652    H3   SXH  87           H3A      SXH  87  -0.065  11.937  -0.663
  653    H3A  SXH  87           H3B      SXH  87  -0.443  12.028   1.055
  654    H4   SXH  87           H4B      SXH  87  -0.142   9.509  -0.561
  655    H4A  SXH  87           H4A      SXH  87  -0.477   9.583   1.173
  656    H5   SXH  87           H5A      SXH  87  -2.526  10.917   0.633
  657    H5A  SXH  87           H5B      SXH  87  -2.588   9.260   0.043
  658    H6   SXH  87           H6C      SXH  87  -3.379  10.850  -1.657
  659    H6A  SXH  87           H6A      SXH  87  -1.872  10.101  -2.189
  660    H6B  SXH  87           H6B      SXH  87  -1.859  11.742  -1.543
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  17.957 -12.843  -4.118
    2    H2   MET   1           HT2      MET   1  16.478 -12.003  -3.998
    3    H3   MET   1           HT3      MET   1  16.933 -13.093  -2.810
    4    HA   MET   1           HA       MET   1  18.741 -11.792  -2.105
    5    HB2  MET   1           HB2      MET   1  19.219  -9.600  -3.023
    6    HB3  MET   1           HB1      MET   1  19.253 -10.765  -4.334
    7    HG2  MET   1           HG2      MET   1  17.040 -10.033  -5.057
    8    HG3  MET   1           HG1      MET   1  16.965  -8.904  -3.708
    9    HE1  MET   1           HE1      MET   1  16.369  -7.911  -6.609
   10    HE2  MET   1           HE2      MET   1  17.325  -6.429  -6.677
   11    HE3  MET   1           HE3      MET   1  16.440  -6.842  -5.207
   12    H    ALA   2           HN       ALA   2  18.325 -10.699  -0.276
   13    HA   ALA   2           HA       ALA   2  17.149  -9.863   1.454
   14    HB1  ALA   2           HB1      ALA   2  15.609  -8.361  -0.682
   15    HB2  ALA   2           HB2      ALA   2  17.132  -7.836   0.031
   16    HB3  ALA   2           HB3      ALA   2  15.686  -7.944   1.032
   17    H    THR   3           HN       THR   3  14.531  -9.312   1.985
   18    HA   THR   3           HA       THR   3  13.177 -11.808   1.252
   19    HB   THR   3           HB       THR   3  12.604  -9.859   3.459
   20    HG1  THR   3           HG1      THR   3  14.328 -12.087   3.273
   21   HG21  THR   3          HG21      THR   3  11.295 -11.732   4.425
   22   HG22  THR   3          HG22      THR   3  11.692 -12.712   3.013
   23   HG23  THR   3          HG23      THR   3  10.697 -11.268   2.832
   24    H    LEU   4           HN       LEU   4  12.016 -11.294  -0.588
   25    HA   LEU   4           HA       LEU   4  11.104  -8.622  -0.972
   26    HB2  LEU   4           HB2      LEU   4  10.662 -11.085  -2.638
   27    HB3  LEU   4           HB1      LEU   4  10.152  -9.471  -3.087
   28    HG   LEU   4           HG       LEU   4  12.978 -10.478  -2.803
   29   HD11  LEU   4          HD11      LEU   4  13.106  -9.938  -5.179
   30   HD12  LEU   4          HD12      LEU   4  11.408  -9.461  -5.156
   31   HD13  LEU   4          HD13      LEU   4  11.858 -11.137  -4.840
   32   HD21  LEU   4          HD21      LEU   4  13.692  -8.234  -3.509
   33   HD22  LEU   4          HD22      LEU   4  12.858  -8.186  -1.956
   34   HD23  LEU   4          HD23      LEU   4  12.020  -7.677  -3.423
   35    H    LEU   5           HN       LEU   5   9.110  -7.901  -1.133
   36    HA   LEU   5           HA       LEU   5   7.084  -9.376   0.388
   37    HB2  LEU   5           HB2      LEU   5   7.870  -7.139   1.212
   38    HB3  LEU   5           HB1      LEU   5   7.387  -6.430  -0.302
   39    HG   LEU   5           HG       LEU   5   5.332  -7.700   1.500
   40   HD11  LEU   5          HD11      LEU   5   6.614  -6.104   2.857
   41   HD12  LEU   5          HD12      LEU   5   4.996  -5.495   2.507
   42   HD13  LEU   5          HD13      LEU   5   6.384  -4.871   1.618
   43   HD21  LEU   5          HD21      LEU   5   4.680  -7.070  -0.779
   44   HD22  LEU   5          HD22      LEU   5   5.241  -5.426  -0.480
   45   HD23  LEU   5          HD23      LEU   5   3.873  -6.070   0.427
   46    H    THR   6           HN       THR   6   5.418 -10.218  -0.818
   47    HA   THR   6           HA       THR   6   5.309  -9.282  -3.567
   48    HB   THR   6           HB       THR   6   4.157 -11.479  -4.057
   49    HG1  THR   6           HG1      THR   6   4.597 -11.812  -1.295
   50   HG21  THR   6          HG21      THR   6   6.517 -11.123  -4.578
   51   HG22  THR   6          HG22      THR   6   6.249 -12.780  -4.040
   52   HG23  THR   6          HG23      THR   6   6.962 -11.599  -2.939
   53    H    THR   7           HN       THR   7   2.855 -10.266  -4.386
   54    HA   THR   7           HA       THR   7   1.111  -8.232  -3.933
   55    HB   THR   7           HB       THR   7   0.410 -11.092  -4.624
   56    HG1  THR   7           HG1      THR   7   0.958 -10.096  -6.849
   57   HG21  THR   7          HG21      THR   7  -0.623  -8.424  -5.626
   58   HG22  THR   7          HG22      THR   7  -1.454  -9.465  -4.475
   59   HG23  THR   7          HG23      THR   7  -1.199 -10.011  -6.135
   60    H    ASP   8           HN       ASP   8   1.109 -11.507  -2.547
   61    HA   ASP   8           HA       ASP   8  -1.178 -11.313  -0.934
   62    HB2  ASP   8           HB2      ASP   8   0.019 -13.412  -1.586
   63    HB3  ASP   8           HB1      ASP   8   1.267 -13.008  -0.416
   64    H    ASP   9           HN       ASP   9   2.197 -10.614  -0.235
   65    HA   ASP   9           HA       ASP   9   1.956 -10.113   2.570
   66    HB2  ASP   9           HB2      ASP   9   3.988  -8.938   0.644
   67    HB3  ASP   9           HB1      ASP   9   4.121  -8.968   2.386
   68    H    LEU  10           HN       LEU  10   1.881  -8.068  -0.286
   69    HA   LEU  10           HA       LEU  10   1.671  -5.629   1.121
   70    HB2  LEU  10           HB2      LEU  10   2.361  -5.802  -1.253
   71    HB3  LEU  10           HB1      LEU  10   0.729  -6.279  -1.674
   72    HG   LEU  10           HG       LEU  10  -0.089  -4.068  -0.929
   73   HD11  LEU  10          HD11      LEU  10   2.833  -3.436  -0.570
   74   HD12  LEU  10          HD12      LEU  10   1.625  -3.553   0.712
   75   HD13  LEU  10          HD13      LEU  10   1.510  -2.272  -0.496
   76   HD21  LEU  10          HD21      LEU  10   2.127  -3.975  -2.967
   77   HD22  LEU  10          HD22      LEU  10   0.839  -2.786  -2.792
   78   HD23  LEU  10          HD23      LEU  10   0.454  -4.438  -3.271
   79    H    ARG  11           HN       ARG  11  -0.703  -7.763  -0.363
   80    HA   ARG  11           HA       ARG  11  -3.024  -6.350   0.046
   81    HB2  ARG  11           HB2      ARG  11  -2.869  -8.463  -1.212
   82    HB3  ARG  11           HB1      ARG  11  -2.743  -9.334   0.313
   83    HG2  ARG  11           HG2      ARG  11  -4.950  -8.676   0.950
   84    HG3  ARG  11           HG1      ARG  11  -5.076  -7.580  -0.428
   85    HD2  ARG  11           HD2      ARG  11  -6.315  -9.556  -0.919
   86    HD3  ARG  11           HD1      ARG  11  -4.873  -9.539  -1.923
   87    HE   ARG  11           HE       ARG  11  -4.596 -10.992   0.529
   88   HH11  ARG  11          HH11      ARG  11  -5.464 -11.201  -2.922
   89   HH12  ARG  11          HH12      ARG  11  -5.412 -12.907  -2.967
   90   HH21  ARG  11          HH21      ARG  11  -4.512 -13.359   0.402
   91   HH22  ARG  11          HH22      ARG  11  -4.842 -14.141  -1.067
   92    H    ARG  12           HN       ARG  12  -1.588  -8.704   2.253
   93    HA   ARG  12           HA       ARG  12  -3.524  -8.455   4.187
   94    HB2  ARG  12           HB2      ARG  12  -1.854  -9.412   5.785
   95    HB3  ARG  12           HB1      ARG  12  -2.116 -10.330   4.296
   96    HG2  ARG  12           HG2      ARG  12  -0.205  -9.348   3.385
   97    HG3  ARG  12           HG1      ARG  12   0.160  -8.516   4.901
   98    HD2  ARG  12           HD2      ARG  12  -0.062 -11.504   4.515
   99    HD3  ARG  12           HD1      ARG  12   1.436 -10.606   4.757
  100    HE   ARG  12           HE       ARG  12  -0.261 -10.017   6.864
  101   HH11  ARG  12          HH11      ARG  12   1.391 -12.873   5.578
  102   HH12  ARG  12          HH12      ARG  12   1.771 -13.555   7.075
  103   HH21  ARG  12          HH21      ARG  12   0.063 -10.995   8.955
  104   HH22  ARG  12          HH22      ARG  12   0.918 -12.450   9.117
  105    H    ALA  13           HN       ALA  13  -0.533  -6.678   3.837
  106    HA   ALA  13           HA       ALA  13  -0.718  -5.186   6.229
  107    HB1  ALA  13           HB1      ALA  13   1.368  -5.370   4.942
  108    HB2  ALA  13           HB2      ALA  13   0.932  -3.687   5.223
  109    HB3  ALA  13           HB3      ALA  13   0.646  -4.421   3.644
  110    H    LEU  14           HN       LEU  14  -1.904  -4.620   2.972
  111    HA   LEU  14           HA       LEU  14  -2.945  -2.035   3.411
  112    HB2  LEU  14           HB2      LEU  14  -3.835  -4.131   1.433
  113    HB3  LEU  14           HB1      LEU  14  -4.312  -2.452   1.400
  114    HG   LEU  14           HG       LEU  14  -1.538  -3.534   0.903
  115   HD11  LEU  14          HD11      LEU  14  -3.090  -3.975  -0.899
  116   HD12  LEU  14          HD12      LEU  14  -1.921  -2.742  -1.371
  117   HD13  LEU  14          HD13      LEU  14  -3.563  -2.277  -0.927
  118   HD21  LEU  14          HD21      LEU  14  -0.983  -1.233   0.257
  119   HD22  LEU  14          HD22      LEU  14  -1.392  -1.381   1.961
  120   HD23  LEU  14          HD23      LEU  14  -2.571  -0.701   0.829
  121    H    VAL  15           HN       VAL  15  -4.528  -5.233   3.370
  122    HA   VAL  15           HA       VAL  15  -7.061  -4.152   3.956
  123    HB   VAL  15           HB       VAL  15  -6.715  -6.291   2.708
  124   HG11  VAL  15          HG11      VAL  15  -6.491  -8.390   3.926
  125   HG12  VAL  15          HG12      VAL  15  -6.209  -7.469   5.408
  126   HG13  VAL  15          HG13      VAL  15  -5.084  -7.332   4.055
  127   HG21  VAL  15          HG21      VAL  15  -8.629  -6.463   5.036
  128   HG22  VAL  15          HG22      VAL  15  -8.709  -7.452   3.576
  129   HG23  VAL  15          HG23      VAL  15  -8.948  -5.709   3.474
  130    H    GLU  16           HN       GLU  16  -4.540  -4.926   6.107
  131    HA   GLU  16           HA       GLU  16  -6.315  -5.119   8.382
  132    HB2  GLU  16           HB2      GLU  16  -3.342  -4.592   8.278
  133    HB3  GLU  16           HB1      GLU  16  -4.259  -4.809   9.757
  134    HG2  GLU  16           HG2      GLU  16  -4.801  -7.076   9.117
  135    HG3  GLU  16           HG1      GLU  16  -3.959  -6.857   7.579
  136    H    SER  17           HN       SER  17  -4.867  -2.654   6.537
  137    HA   SER  17           HA       SER  17  -5.240  -0.623   8.530
  138    HB2  SER  17           HB2      SER  17  -4.467  -0.375   5.619
  139    HB3  SER  17           HB1      SER  17  -4.278   0.858   6.871
  140    HG   SER  17           HG       SER  17  -2.788  -1.431   6.365
  141    H    ALA  18           HN       ALA  18  -6.768  -1.689   5.462
  142    HA   ALA  18           HA       ALA  18  -9.259  -0.458   6.179
  143    HB1  ALA  18           HB1      ALA  18  -7.723   0.507   3.773
  144    HB2  ALA  18           HB2      ALA  18  -8.057   1.462   5.221
  145    HB3  ALA  18           HB3      ALA  18  -9.384   0.952   4.168
  146    H    GLY  19           HN       GLY  19 -10.836  -0.854   4.308
  147    HA2  GLY  19           HA2      GLY  19 -11.586  -2.191   2.520
  148    HA3  GLY  19           HA1      GLY  19 -10.105  -3.144   2.635
  149    H    GLU  20           HN       GLU  20 -12.674  -2.222   4.910
  150    HA   GLU  20           HA       GLU  20 -12.387  -4.749   6.309
  151    HB2  GLU  20           HB2      GLU  20 -14.116  -2.341   6.858
  152    HB3  GLU  20           HB1      GLU  20 -13.819  -3.680   7.955
  153    HG2  GLU  20           HG2      GLU  20 -11.469  -3.076   8.075
  154    HG3  GLU  20           HG1      GLU  20 -11.749  -1.752   6.941
  155    H    THR  21           HN       THR  21 -13.464  -5.011   3.756
  156    HA   THR  21           HA       THR  21 -15.176  -5.892   2.538
  157    HB   THR  21           HB       THR  21 -16.480  -6.641   5.198
  158    HG1  THR  21           HG1      THR  21 -14.344  -7.880   3.756
  159   HG21  THR  21          HG21      THR  21 -16.404  -8.045   2.503
  160   HG22  THR  21          HG22      THR  21 -17.779  -7.147   3.142
  161   HG23  THR  21          HG23      THR  21 -17.246  -8.627   3.943
  162    H    ASP  22           HN       ASP  22 -15.212  -3.231   2.958
  163    HA   ASP  22           HA       ASP  22 -17.800  -2.215   3.780
  164    HB2  ASP  22           HB2      ASP  22 -15.457  -0.866   2.411
  165    HB3  ASP  22           HB1      ASP  22 -16.874  -0.038   3.039
  166    H    GLY  23           HN       GLY  23 -17.870  -4.110   1.694
  167    HA2  GLY  23           HA2      GLY  23 -19.261  -4.215  -0.220
  168    HA3  GLY  23           HA1      GLY  23 -18.865  -2.522  -0.559
  169    H    THR  24           HN       THR  24 -16.481  -2.151  -0.680
  170    HA   THR  24           HA       THR  24 -15.320  -3.868  -2.663
  171    HB   THR  24           HB       THR  24 -14.088  -1.509  -1.217
  172    HG1  THR  24           HG1      THR  24 -15.180  -0.945  -3.658
  173   HG21  THR  24          HG21      THR  24 -12.592  -2.860  -2.630
  174   HG22  THR  24          HG22      THR  24 -12.846  -1.258  -3.326
  175   HG23  THR  24          HG23      THR  24 -13.694  -2.653  -3.991
  176    H    ASP  25           HN       ASP  25 -14.744  -5.791  -1.661
  177    HA   ASP  25           HA       ASP  25 -13.265  -5.675   0.864
  178    HB2  ASP  25           HB2      ASP  25 -15.042  -7.414   0.621
  179    HB3  ASP  25           HB1      ASP  25 -14.121  -8.124  -0.705
  180    H    LEU  26           HN       LEU  26 -11.123  -6.238   1.024
  181    HA   LEU  26           HA       LEU  26  -9.764  -5.917  -1.516
  182    HB2  LEU  26           HB2      LEU  26  -9.387  -4.353   0.365
  183    HB3  LEU  26           HB1      LEU  26  -8.676  -5.668   1.274
  184    HG   LEU  26           HG       LEU  26  -6.877  -5.834  -0.414
  185   HD11  LEU  26          HD11      LEU  26  -6.633  -4.065  -2.082
  186   HD12  LEU  26          HD12      LEU  26  -8.190  -3.391  -1.596
  187   HD13  LEU  26          HD13      LEU  26  -8.114  -4.988  -2.338
  188   HD21  LEU  26          HD21      LEU  26  -7.289  -3.089   0.749
  189   HD22  LEU  26          HD22      LEU  26  -5.753  -3.760   0.199
  190   HD23  LEU  26          HD23      LEU  26  -6.585  -4.475   1.579
  191    H    SER  27           HN       SER  27 -10.603  -8.597   0.322
  192    HA   SER  27           HA       SER  27  -8.054  -9.887   0.102
  193    HB2  SER  27           HB2      SER  27 -10.758 -11.036   0.814
  194    HB3  SER  27           HB1      SER  27  -9.210 -11.855   1.018
  195    HG   SER  27           HG       SER  27 -10.451 -10.168   2.655
  196    H    GLY  28           HN       GLY  28  -7.601  -9.767  -2.056
  197    HA2  GLY  28           HA2      GLY  28  -8.162 -11.926  -3.683
  198    HA3  GLY  28           HA1      GLY  28  -9.270 -10.633  -4.156
  199    H    ASP  29           HN       ASP  29  -8.322 -10.112  -6.098
  200    HA   ASP  29           HA       ASP  29  -5.507  -9.339  -5.991
  201    HB2  ASP  29           HB2      ASP  29  -5.493  -9.255  -8.412
  202    HB3  ASP  29           HB1      ASP  29  -6.234 -10.768  -7.927
  203    H    PHE  30           HN       PHE  30  -4.826  -7.296  -6.557
  204    HA   PHE  30           HA       PHE  30  -6.823  -5.144  -6.525
  205    HB2  PHE  30           HB2      PHE  30  -5.815  -4.161  -4.491
  206    HB3  PHE  30           HB1      PHE  30  -6.539  -5.737  -4.174
  207    HD1  PHE  30           HD1      PHE  30  -5.008  -7.742  -4.027
  208    HD2  PHE  30           HD2      PHE  30  -3.540  -3.762  -4.020
  209    HE1  PHE  30           HE1      PHE  30  -2.918  -8.516  -3.008
  210    HE2  PHE  30           HE2      PHE  30  -1.456  -4.532  -3.006
  211    HZ   PHE  30           HZ       PHE  30  -1.049  -6.923  -2.707
  212    H    LEU  31           HN       LEU  31  -4.094  -6.367  -7.765
  213    HA   LEU  31           HA       LEU  31  -2.005  -4.572  -7.321
  214    HB2  LEU  31           HB2      LEU  31  -1.782  -6.868  -8.142
  215    HB3  LEU  31           HB1      LEU  31  -2.446  -6.377  -9.693
  216    HG   LEU  31           HG       LEU  31  -0.481  -4.872  -9.951
  217   HD11  LEU  31          HD11      LEU  31   0.085  -4.611  -7.596
  218   HD12  LEU  31          HD12      LEU  31   1.460  -5.254  -8.489
  219   HD13  LEU  31          HD13      LEU  31   0.479  -6.325  -7.486
  220   HD21  LEU  31          HD21      LEU  31  -0.542  -7.071 -10.999
  221   HD22  LEU  31          HD22      LEU  31   0.106  -7.803  -9.532
  222   HD23  LEU  31          HD23      LEU  31   1.095  -6.682 -10.471
  223    H    ASP  32           HN       ASP  32  -4.394  -4.656  -9.920
  224    HA   ASP  32           HA       ASP  32  -3.282  -2.152 -10.987
  225    HB2  ASP  32           HB2      ASP  32  -5.022  -4.245 -12.273
  226    HB3  ASP  32           HB1      ASP  32  -4.826  -2.644 -12.978
  227    H    LEU  33           HN       LEU  33  -5.446  -2.872  -8.794
  228    HA   LEU  33           HA       LEU  33  -7.543  -1.132  -9.784
  229    HB2  LEU  33           HB2      LEU  33  -7.328  -2.772  -7.250
  230    HB3  LEU  33           HB1      LEU  33  -8.635  -1.648  -7.538
  231    HG   LEU  33           HG       LEU  33  -9.461  -3.822  -8.001
  232   HD11  LEU  33          HD11      LEU  33 -10.241  -2.144  -9.507
  233   HD12  LEU  33          HD12      LEU  33 -10.111  -3.696 -10.334
  234   HD13  LEU  33          HD13      LEU  33  -8.891  -2.449 -10.599
  235   HD21  LEU  33          HD21      LEU  33  -8.490  -5.342  -9.673
  236   HD22  LEU  33          HD22      LEU  33  -7.375  -5.055  -8.340
  237   HD23  LEU  33          HD23      LEU  33  -7.134  -4.238  -9.882
  238    H    ARG  34           HN       ARG  34  -7.874   0.874  -9.073
  239    HA   ARG  34           HA       ARG  34  -5.619   2.184  -7.880
  240    HB2  ARG  34           HB2      ARG  34  -8.322   3.251  -8.612
  241    HB3  ARG  34           HB1      ARG  34  -6.908   4.208  -8.192
  242    HG2  ARG  34           HG2      ARG  34  -5.749   3.455 -10.128
  243    HG3  ARG  34           HG1      ARG  34  -7.044   2.319 -10.511
  244    HD2  ARG  34           HD2      ARG  34  -7.260   5.313 -10.437
  245    HD3  ARG  34           HD1      ARG  34  -7.198   4.276 -11.874
  246    HE   ARG  34           HE       ARG  34  -9.283   3.239 -10.931
  247   HH11  ARG  34          HH11      ARG  34  -8.472   6.660 -10.387
  248   HH12  ARG  34          HH12      ARG  34 -10.092   7.142 -10.228
  249   HH21  ARG  34          HH21      ARG  34 -11.508   3.928 -10.624
  250   HH22  ARG  34          HH22      ARG  34 -11.852   5.575 -10.310
  251    H    PHE  35           HN       PHE  35  -5.436   3.096  -5.936
  252    HA   PHE  35           HA       PHE  35  -6.865   2.243  -3.715
  253    HB2  PHE  35           HB2      PHE  35  -5.248   4.767  -4.098
  254    HB3  PHE  35           HB1      PHE  35  -5.902   4.268  -2.540
  255    HD1  PHE  35           HD1      PHE  35  -5.170   2.022  -1.600
  256    HD2  PHE  35           HD2      PHE  35  -3.255   3.893  -4.901
  257    HE1  PHE  35           HE1      PHE  35  -3.178   0.631  -1.236
  258    HE2  PHE  35           HE2      PHE  35  -1.264   2.500  -4.547
  259    HZ   PHE  35           HZ       PHE  35  -1.281   0.796  -2.676
  260    H    GLU  36           HN       GLU  36  -7.444   4.906  -5.815
  261    HA   GLU  36           HA       GLU  36  -9.429   6.379  -4.585
  262    HB2  GLU  36           HB2      GLU  36  -9.274   5.646  -7.500
  263    HB3  GLU  36           HB1      GLU  36 -10.062   7.055  -6.811
  264    HG2  GLU  36           HG2      GLU  36  -7.108   6.498  -6.693
  265    HG3  GLU  36           HG1      GLU  36  -7.896   7.558  -7.862
  266    H    ASP  37           HN       ASP  37  -9.629   3.272  -6.211
  267    HA   ASP  37           HA       ASP  37 -12.537   3.317  -6.306
  268    HB2  ASP  37           HB2      ASP  37 -11.153   2.441  -8.206
  269    HB3  ASP  37           HB1      ASP  37 -10.618   1.138  -7.154
  270    H    ILE  38           HN       ILE  38  -9.924   1.864  -4.509
  271    HA   ILE  38           HA       ILE  38 -11.784   0.016  -3.254
  272    HB   ILE  38           HB       ILE  38  -9.777  -1.055  -2.209
  273   HG12  ILE  38          HG12      ILE  38  -8.255   0.871  -3.997
  274   HG13  ILE  38          HG11      ILE  38  -8.276   0.906  -2.238
  275   HG21  ILE  38          HG21      ILE  38  -9.778  -0.804  -5.213
  276   HG22  ILE  38          HG22      ILE  38 -10.754  -1.917  -4.253
  277   HG23  ILE  38          HG23      ILE  38  -8.998  -2.097  -4.296
  278   HD11  ILE  38          HD11      ILE  38  -7.141  -1.296  -3.955
  279   HD12  ILE  38          HD12      ILE  38  -7.165  -1.274  -2.192
  280   HD13  ILE  38          HD13      ILE  38  -6.218  -0.076  -3.074
  281    H    GLY  39           HN       GLY  39 -11.738   2.855  -2.656
  282    HA2  GLY  39           HA2      GLY  39 -12.329   4.126  -0.828
  283    HA3  GLY  39           HA1      GLY  39 -12.399   2.632   0.085
  284    H    TYR  40           HN       TYR  40  -9.646   4.210  -1.485
  285    HA   TYR  40           HA       TYR  40  -8.480   4.568   1.179
  286    HB2  TYR  40           HB2      TYR  40  -7.167   3.707  -1.372
  287    HB3  TYR  40           HB1      TYR  40  -6.250   4.536  -0.132
  288    HD1  TYR  40           HD1      TYR  40  -8.397   1.546  -0.671
  289    HD2  TYR  40           HD2      TYR  40  -5.274   3.336   1.574
  290    HE1  TYR  40           HE1      TYR  40  -7.940  -0.611   0.406
  291    HE2  TYR  40           HE2      TYR  40  -4.805   1.196   2.662
  292    HH   TYR  40           HH       TYR  40  -5.984  -0.964   3.140
  293    H    ASP  41           HN       ASP  41  -8.904   6.627   1.555
  294    HA   ASP  41           HA       ASP  41  -8.198   8.635  -0.415
  295    HB2  ASP  41           HB2      ASP  41  -9.211   8.834   2.435
  296    HB3  ASP  41           HB1      ASP  41  -8.631  10.239   1.554
  297    H    SER  42           HN       SER  42  -6.720  10.477   0.550
  298    HA   SER  42           HA       SER  42  -4.195   9.383   0.631
  299    HB2  SER  42           HB2      SER  42  -3.392  11.631   1.215
  300    HB3  SER  42           HB1      SER  42  -4.598  11.673  -0.074
  301    H    LEU  43           HN       LEU  43  -6.288  10.232   3.311
  302    HA   LEU  43           HA       LEU  43  -4.411  10.025   5.382
  303    HB2  LEU  43           HB2      LEU  43  -6.642  10.995   5.665
  304    HB3  LEU  43           HB1      LEU  43  -7.358   9.408   5.461
  305    HG   LEU  43           HG       LEU  43  -6.237   8.653   7.529
  306   HD11  LEU  43          HD11      LEU  43  -4.311  10.145   7.495
  307   HD12  LEU  43          HD12      LEU  43  -5.193  10.290   9.013
  308   HD13  LEU  43          HD13      LEU  43  -5.366  11.530   7.774
  309   HD21  LEU  43          HD21      LEU  43  -8.507   9.510   7.608
  310   HD22  LEU  43          HD22      LEU  43  -7.881  11.149   7.817
  311   HD23  LEU  43          HD23      LEU  43  -7.624   9.936   9.079
  312    H    ALA  44           HN       ALA  44  -6.709   7.539   4.224
  313    HA   ALA  44           HA       ALA  44  -5.694   5.479   5.868
  314    HB1  ALA  44           HB1      ALA  44  -7.095   5.196   3.208
  315    HB2  ALA  44           HB2      ALA  44  -7.892   5.342   4.775
  316    HB3  ALA  44           HB3      ALA  44  -6.895   3.928   4.418
  317    H    LEU  45           HN       LEU  45  -4.843   6.581   2.679
  318    HA   LEU  45           HA       LEU  45  -3.106   4.451   2.076
  319    HB2  LEU  45           HB2      LEU  45  -4.036   5.930   0.362
  320    HB3  LEU  45           HB1      LEU  45  -3.130   7.275   1.015
  321    HG   LEU  45           HG       LEU  45  -1.031   6.248   0.317
  322   HD11  LEU  45          HD11      LEU  45  -1.654   3.898   0.596
  323   HD12  LEU  45          HD12      LEU  45  -1.019   4.205  -1.021
  324   HD13  LEU  45          HD13      LEU  45  -2.756   4.023  -0.777
  325   HD21  LEU  45          HD21      LEU  45  -2.233   7.676  -1.253
  326   HD22  LEU  45          HD22      LEU  45  -3.105   6.267  -1.863
  327   HD23  LEU  45          HD23      LEU  45  -1.360   6.392  -2.098
  328    H    MET  46           HN       MET  46  -2.527   7.653   3.546
  329    HA   MET  46           HA       MET  46   0.266   7.194   3.773
  330    HB2  MET  46           HB2      MET  46   0.422   9.226   5.071
  331    HB3  MET  46           HB1      MET  46  -0.689   9.497   3.745
  332    HG2  MET  46           HG2      MET  46  -2.574   9.255   5.279
  333    HG3  MET  46           HG1      MET  46  -1.453   8.966   6.607
  334    HE1  MET  46           HE1      MET  46   0.395  12.430   6.821
  335    HE2  MET  46           HE2      MET  46   0.881  11.028   5.867
  336    HE3  MET  46           HE3      MET  46   0.265  10.809   7.506
  337    H    GLU  47           HN       GLU  47  -2.446   6.533   5.922
  338    HA   GLU  47           HA       GLU  47  -0.976   5.910   8.242
  339    HB2  GLU  47           HB2      GLU  47  -3.545   4.647   7.227
  340    HB3  GLU  47           HB1      GLU  47  -2.893   4.415   8.838
  341    HG2  GLU  47           HG2      GLU  47  -3.198   6.820   9.286
  342    HG3  GLU  47           HG1      GLU  47  -3.870   7.015   7.670
  343    H    THR  48           HN       THR  48  -2.039   3.922   5.556
  344    HA   THR  48           HA       THR  48  -0.883   1.494   6.310
  345    HB   THR  48           HB       THR  48  -1.380   2.505   3.493
  346    HG1  THR  48           HG1      THR  48  -3.329   2.702   4.594
  347   HG21  THR  48          HG21      THR  48  -1.350  -0.273   4.675
  348   HG22  THR  48          HG22      THR  48  -0.103   0.417   3.628
  349   HG23  THR  48          HG23      THR  48  -1.736   0.145   3.007
  350    H    ALA  49           HN       ALA  49   0.322   4.007   4.040
  351    HA   ALA  49           HA       ALA  49   2.716   2.802   3.317
  352    HB1  ALA  49           HB1      ALA  49   2.169   5.762   3.545
  353    HB2  ALA  49           HB2      ALA  49   1.752   4.747   2.166
  354    HB3  ALA  49           HB3      ALA  49   3.444   5.006   2.590
  355    H    ALA  50           HN       ALA  50   2.139   5.120   5.959
  356    HA   ALA  50           HA       ALA  50   4.826   5.188   6.789
  357    HB1  ALA  50           HB1      ALA  50   4.011   6.304   8.782
  358    HB2  ALA  50           HB2      ALA  50   2.361   5.816   8.397
  359    HB3  ALA  50           HB3      ALA  50   3.215   6.945   7.346
  360    H    ARG  51           HN       ARG  51   2.217   3.003   7.515
  361    HA   ARG  51           HA       ARG  51   3.332   1.755   9.810
  362    HB2  ARG  51           HB2      ARG  51   0.993   1.400   9.116
  363    HB3  ARG  51           HB1      ARG  51   1.545   0.587   7.660
  364    HG2  ARG  51           HG2      ARG  51   2.586  -1.148   9.083
  365    HG3  ARG  51           HG1      ARG  51   1.884  -0.359  10.496
  366    HD2  ARG  51           HD2      ARG  51  -0.355  -0.690   9.543
  367    HD3  ARG  51           HD1      ARG  51   0.369  -1.509   8.158
  368    HE   ARG  51           HE       ARG  51   1.000  -2.576  10.772
  369   HH11  ARG  51          HH11      ARG  51  -1.082  -2.896   7.872
  370   HH12  ARG  51          HH12      ARG  51  -1.498  -4.522   8.272
  371   HH21  ARG  51          HH21      ARG  51   0.317  -4.788  11.211
  372   HH22  ARG  51          HH22      ARG  51  -0.746  -5.538  10.078
  373    H    LEU  52           HN       LEU  52   3.589   1.191   6.370
  374    HA   LEU  52           HA       LEU  52   5.254  -1.088   6.482
  375    HB2  LEU  52           HB2      LEU  52   4.979   0.973   4.293
  376    HB3  LEU  52           HB1      LEU  52   5.725  -0.601   4.116
  377    HG   LEU  52           HG       LEU  52   2.813  -0.103   4.729
  378   HD11  LEU  52          HD11      LEU  52   4.166  -1.026   2.204
  379   HD12  LEU  52          HD12      LEU  52   3.392   0.536   2.465
  380   HD13  LEU  52          HD13      LEU  52   2.424  -0.940   2.471
  381   HD21  LEU  52          HD21      LEU  52   3.617  -2.182   5.716
  382   HD22  LEU  52          HD22      LEU  52   4.293  -2.669   4.162
  383   HD23  LEU  52          HD23      LEU  52   2.547  -2.507   4.351
  384    H    GLU  53           HN       GLU  53   5.873   2.371   6.214
  385    HA   GLU  53           HA       GLU  53   8.640   2.325   5.974
  386    HB2  GLU  53           HB2      GLU  53   6.918   4.338   7.406
  387    HB3  GLU  53           HB1      GLU  53   8.619   4.566   7.043
  388    HG2  GLU  53           HG2      GLU  53   8.086   4.358   4.653
  389    HG3  GLU  53           HG1      GLU  53   6.374   4.275   5.070
  390    H    SER  54           HN       SER  54   6.692   2.519   8.919
  391    HA   SER  54           HA       SER  54   8.838   2.550  10.698
  392    HB2  SER  54           HB2      SER  54   6.002   1.603  11.137
  393    HB3  SER  54           HB1      SER  54   7.166   1.963  12.415
  394    HG   SER  54           HG       SER  54   6.895   4.010  10.573
  395    H    ARG  55           HN       ARG  55   6.853  -0.251   9.620
  396    HA   ARG  55           HA       ARG  55   8.241  -2.095  11.246
  397    HB2  ARG  55           HB2      ARG  55   6.020  -2.622  10.386
  398    HB3  ARG  55           HB1      ARG  55   6.642  -2.640   8.738
  399    HG2  ARG  55           HG2      ARG  55   8.201  -4.483   9.456
  400    HG3  ARG  55           HG1      ARG  55   7.302  -4.550  10.966
  401    HD2  ARG  55           HD2      ARG  55   6.093  -4.906   8.238
  402    HD3  ARG  55           HD1      ARG  55   6.633  -6.230   9.256
  403    HE   ARG  55           HE       ARG  55   4.853  -4.724  10.748
  404   HH11  ARG  55          HH11      ARG  55   4.788  -6.535   7.693
  405   HH12  ARG  55          HH12      ARG  55   3.244  -7.183   7.896
  406   HH21  ARG  55          HH21      ARG  55   2.658  -5.623  11.083
  407   HH22  ARG  55          HH22      ARG  55   1.997  -6.659   9.930
  408    H    TYR  56           HN       TYR  56   8.586  -1.408   7.743
  409    HA   TYR  56           HA       TYR  56  10.680  -3.402   7.624
  410    HB2  TYR  56           HB2      TYR  56   9.452  -1.746   5.410
  411    HB3  TYR  56           HB1      TYR  56  10.629  -3.039   5.177
  412    HD1  TYR  56           HD2      TYR  56   9.989  -5.390   5.923
  413    HD2  TYR  56           HD1      TYR  56   7.153  -2.239   5.600
  414    HE1  TYR  56           HE2      TYR  56   8.177  -7.045   5.801
  415    HE2  TYR  56           HE1      TYR  56   5.332  -3.886   5.478
  416    HH   TYR  56           HH       TYR  56   5.674  -7.103   6.276
  417    H    GLY  57           HN       GLY  57  10.669  -0.284   8.486
  418    HA2  GLY  57           HA2      GLY  57  12.411   1.119   8.960
  419    HA3  GLY  57           HA1      GLY  57  13.502  -0.139   8.404
  420    H    VAL  58           HN       VAL  58  10.951   1.385   6.574
  421    HA   VAL  58           HA       VAL  58  13.041   2.403   4.800
  422    HB   VAL  58           HB       VAL  58  11.491   2.320   2.896
  423   HG11  VAL  58          HG11      VAL  58  11.692  -0.302   4.352
  424   HG12  VAL  58          HG12      VAL  58  12.901   0.399   3.271
  425   HG13  VAL  58          HG13      VAL  58  11.334  -0.109   2.636
  426   HG21  VAL  58          HG21      VAL  58   9.371   2.620   4.067
  427   HG22  VAL  58          HG22      VAL  58   9.540   1.024   4.805
  428   HG23  VAL  58          HG23      VAL  58   9.326   1.170   3.062
  429    H    SER  59           HN       SER  59  12.189   4.297   3.395
  430    HA   SER  59           HA       SER  59  10.506   6.070   4.953
  431    HB2  SER  59           HB2      SER  59  12.247   7.902   4.527
  432    HB3  SER  59           HB1      SER  59  12.677   6.693   5.733
  433    HG   SER  59           HG       SER  59  13.777   7.243   3.279
  434    H    ILE  60           HN       ILE  60   8.944   6.528   3.619
  435    HA   ILE  60           HA       ILE  60   9.467   6.600   0.731
  436    HB   ILE  60           HB       ILE  60   6.774   6.399   2.112
  437   HG12  ILE  60          HG12      ILE  60   8.424   4.167   0.879
  438   HG13  ILE  60          HG11      ILE  60   8.219   4.427   2.608
  439   HG21  ILE  60          HG21      ILE  60   7.632   5.882  -0.740
  440   HG22  ILE  60          HG22      ILE  60   6.742   7.290  -0.175
  441   HG23  ILE  60          HG23      ILE  60   5.998   5.682  -0.103
  442   HD11  ILE  60          HD11      ILE  60   5.819   4.021   2.379
  443   HD12  ILE  60          HD12      ILE  60   6.770   2.651   1.799
  444   HD13  ILE  60          HD13      ILE  60   6.031   3.764   0.647
  445    HA   PRO  61           HA       PRO  61   8.866  11.067   1.183
  446    HB2  PRO  61           HB2      PRO  61   9.284  11.040  -1.737
  447    HB3  PRO  61           HB1      PRO  61  10.217  11.871  -0.488
  448    HG2  PRO  61           HG2      PRO  61  11.211   9.757  -1.806
  449    HG3  PRO  61           HG1      PRO  61  11.570  10.040  -0.091
  450    HD2  PRO  61           HD2      PRO  61   9.596   8.161  -1.331
  451    HD3  PRO  61           HD1      PRO  61  10.721   7.881   0.018
  452    H    ASP  62           HN       ASP  62   7.085  12.309   0.826
  453    HA   ASP  62           HA       ASP  62   4.667  11.105   0.098
  454    HB2  ASP  62           HB2      ASP  62   3.580  13.224   0.388
  455    HB3  ASP  62           HB1      ASP  62   4.828  13.072   1.614
  456    H    ASP  63           HN       ASP  63   6.911  12.845  -1.915
  457    HA   ASP  63           HA       ASP  63   5.037  13.263  -4.051
  458    HB2  ASP  63           HB2      ASP  63   8.064  13.264  -4.091
  459    HB3  ASP  63           HB1      ASP  63   7.077  13.616  -5.500
  460    H    VAL  64           HN       VAL  64   7.161  10.739  -3.110
  461    HA   VAL  64           HA       VAL  64   6.904   9.249  -5.551
  462    HB   VAL  64           HB       VAL  64   7.923   8.388  -2.818
  463   HG11  VAL  64          HG11      VAL  64   8.202   7.058  -5.515
  464   HG12  VAL  64          HG12      VAL  64   7.212   6.484  -4.172
  465   HG13  VAL  64          HG13      VAL  64   8.969   6.521  -4.021
  466   HG21  VAL  64          HG21      VAL  64   9.258  10.187  -3.785
  467   HG22  VAL  64          HG22      VAL  64   9.419   9.271  -5.285
  468   HG23  VAL  64          HG23      VAL  64  10.156   8.668  -3.799
  469    H    ALA  65           HN       ALA  65   5.681   8.924  -2.227
  470    HA   ALA  65           HA       ALA  65   3.942   6.777  -2.754
  471    HB1  ALA  65           HB1      ALA  65   2.823   7.375  -0.668
  472    HB2  ALA  65           HB2      ALA  65   3.640   8.935  -0.667
  473    HB3  ALA  65           HB3      ALA  65   4.572   7.452  -0.481
  474    H    GLY  66           HN       GLY  66   3.607  10.196  -3.312
  475    HA2  GLY  66           HA2      GLY  66   0.796  10.237  -3.669
  476    HA3  GLY  66           HA1      GLY  66   1.934  11.479  -4.155
  477    H    ARG  67           HN       ARG  67   3.289   9.058  -5.724
  478    HA   ARG  67           HA       ARG  67   1.646   9.563  -8.108
  479    HB2  ARG  67           HB2      ARG  67   3.478   8.745  -9.464
  480    HB3  ARG  67           HB1      ARG  67   4.099   9.934  -8.335
  481    HG2  ARG  67           HG2      ARG  67   5.137   8.275  -7.011
  482    HG3  ARG  67           HG1      ARG  67   4.266   6.980  -7.824
  483    HD2  ARG  67           HD2      ARG  67   5.483   7.378  -9.867
  484    HD3  ARG  67           HD1      ARG  67   6.260   8.798  -9.165
  485    HE   ARG  67           HE       ARG  67   7.575   7.427  -7.832
  486   HH11  ARG  67          HH11      ARG  67   5.518   5.420  -9.984
  487   HH12  ARG  67          HH12      ARG  67   6.540   4.057  -9.844
  488   HH21  ARG  67          HH21      ARG  67   8.884   5.571  -7.686
  489   HH22  ARG  67          HH22      ARG  67   8.496   4.096  -8.447
  490    H    VAL  68           HN       VAL  68   1.670   7.375  -5.700
  491    HA   VAL  68           HA       VAL  68   1.521   4.990  -7.223
  492    HB   VAL  68           HB       VAL  68   1.160   5.648  -4.304
  493   HG11  VAL  68          HG11      VAL  68   1.307   3.287  -3.926
  494   HG12  VAL  68          HG12      VAL  68   1.390   3.018  -5.684
  495   HG13  VAL  68          HG13      VAL  68  -0.065   3.730  -4.953
  496   HG21  VAL  68          HG21      VAL  68   3.482   4.397  -5.770
  497   HG22  VAL  68          HG22      VAL  68   3.355   4.590  -4.020
  498   HG23  VAL  68          HG23      VAL  68   3.446   6.011  -5.059
  499    H    ASP  69           HN       ASP  69  -0.238   5.084  -8.414
  500    HA   ASP  69           HA       ASP  69  -2.837   5.877  -7.332
  501    HB2  ASP  69           HB2      ASP  69  -2.269   6.733  -9.501
  502    HB3  ASP  69           HB1      ASP  69  -1.801   5.138 -10.066
  503    H    THR  70           HN       THR  70  -0.906   3.226  -8.233
  504    HA   THR  70           HA       THR  70  -3.056   1.352  -7.561
  505    HB   THR  70           HB       THR  70  -1.949  -0.227  -9.216
  506    HG1  THR  70           HG1      THR  70  -0.546   2.162  -9.795
  507   HG21  THR  70          HG21      THR  70  -4.093   0.839  -9.705
  508   HG22  THR  70          HG22      THR  70  -3.111   0.722 -11.166
  509   HG23  THR  70          HG23      THR  70  -3.255   2.264 -10.321
  510    HA   PRO  71           HA       PRO  71  -0.281  -0.322  -4.552
  511    HB2  PRO  71           HB2      PRO  71  -1.354  -2.956  -5.426
  512    HB3  PRO  71           HB1      PRO  71  -1.295  -2.249  -3.806
  513    HG2  PRO  71           HG2      PRO  71  -3.592  -2.331  -5.104
  514    HG3  PRO  71           HG1      PRO  71  -3.134  -0.870  -4.200
  515    HD2  PRO  71           HD2      PRO  71  -2.996  -1.403  -7.141
  516    HD3  PRO  71           HD1      PRO  71  -3.563   0.047  -6.284
  517    H    ARG  72           HN       ARG  72  -0.396  -1.573  -7.785
  518    HA   ARG  72           HA       ARG  72   1.751  -3.240  -8.130
  519    HB2  ARG  72           HB2      ARG  72   0.232  -2.448  -9.895
  520    HB3  ARG  72           HB1      ARG  72   0.977  -0.864  -9.827
  521    HG2  ARG  72           HG2      ARG  72   3.159  -2.175 -10.400
  522    HG3  ARG  72           HG1      ARG  72   2.028  -3.408 -10.970
  523    HD2  ARG  72           HD2      ARG  72   2.245  -0.548 -11.867
  524    HD3  ARG  72           HD1      ARG  72   2.582  -1.986 -12.823
  525    HE   ARG  72           HE       ARG  72   0.156  -2.515 -12.503
  526   HH11  ARG  72          HH11      ARG  72   1.333   0.859 -12.690
  527   HH12  ARG  72          HH12      ARG  72  -0.132   1.517 -13.195
  528   HH21  ARG  72          HH21      ARG  72  -1.885  -1.598 -13.275
  529   HH22  ARG  72          HH22      ARG  72  -2.051   0.074 -13.546
  530    H    GLU  73           HN       GLU  73   1.709   0.270  -8.164
  531    HA   GLU  73           HA       GLU  73   4.456   0.734  -8.635
  532    HB2  GLU  73           HB2      GLU  73   2.335   2.573  -7.518
  533    HB3  GLU  73           HB1      GLU  73   3.838   3.059  -8.305
  534    HG2  GLU  73           HG2      GLU  73   3.126   2.170 -10.393
  535    HG3  GLU  73           HG1      GLU  73   1.715   1.423  -9.666
  536    H    LEU  74           HN       LEU  74   2.426   0.732  -5.803
  537    HA   LEU  74           HA       LEU  74   4.320   1.688  -3.927
  538    HB2  LEU  74           HB2      LEU  74   1.735   1.509  -3.770
  539    HB3  LEU  74           HB1      LEU  74   2.003  -0.149  -3.321
  540    HG   LEU  74           HG       LEU  74   1.519   1.379  -1.411
  541   HD11  LEU  74          HD11      LEU  74   3.252   0.564   0.086
  542   HD12  LEU  74          HD12      LEU  74   4.210   0.060  -1.306
  543   HD13  LEU  74          HD13      LEU  74   2.656  -0.706  -0.985
  544   HD21  LEU  74          HD21      LEU  74   3.271   2.899  -0.624
  545   HD22  LEU  74          HD22      LEU  74   2.671   3.360  -2.219
  546   HD23  LEU  74          HD23      LEU  74   4.220   2.540  -2.068
  547    H    LEU  75           HN       LEU  75   3.273  -1.546  -4.889
  548    HA   LEU  75           HA       LEU  75   4.761  -3.155  -3.197
  549    HB2  LEU  75           HB2      LEU  75   2.980  -3.917  -4.727
  550    HB3  LEU  75           HB1      LEU  75   4.036  -3.630  -6.093
  551    HG   LEU  75           HG       LEU  75   5.560  -5.389  -5.237
  552   HD11  LEU  75          HD11      LEU  75   4.754  -6.892  -3.492
  553   HD12  LEU  75          HD12      LEU  75   3.366  -5.837  -3.230
  554   HD13  LEU  75          HD13      LEU  75   4.995  -5.256  -2.886
  555   HD21  LEU  75          HD21      LEU  75   4.117  -7.274  -5.829
  556   HD22  LEU  75          HD22      LEU  75   3.880  -5.910  -6.926
  557   HD23  LEU  75          HD23      LEU  75   2.699  -6.242  -5.662
  558    H    ASP  76           HN       ASP  76   5.574  -1.966  -6.429
  559    HA   ASP  76           HA       ASP  76   8.167  -3.011  -6.607
  560    HB2  ASP  76           HB2      ASP  76   7.036  -2.069  -8.566
  561    HB3  ASP  76           HB1      ASP  76   7.107  -0.465  -7.844
  562    H    LEU  77           HN       LEU  77   7.047   0.093  -5.380
  563    HA   LEU  77           HA       LEU  77   9.558   1.226  -4.906
  564    HB2  LEU  77           HB2      LEU  77   7.383   2.456  -5.017
  565    HB3  LEU  77           HB1      LEU  77   6.943   1.784  -3.473
  566    HG   LEU  77           HG       LEU  77   7.676   4.187  -3.457
  567   HD11  LEU  77          HD11      LEU  77   7.672   2.932  -1.389
  568   HD12  LEU  77          HD12      LEU  77   9.033   4.055  -1.434
  569   HD13  LEU  77          HD13      LEU  77   9.296   2.334  -1.725
  570   HD21  LEU  77          HD21      LEU  77  10.076   4.669  -3.541
  571   HD22  LEU  77          HD22      LEU  77   9.473   4.043  -5.074
  572   HD23  LEU  77          HD23      LEU  77  10.388   2.993  -3.994
  573    H    ILE  78           HN       ILE  78   7.450  -0.680  -2.790
  574    HA   ILE  78           HA       ILE  78   9.078  -0.493  -0.496
  575    HB   ILE  78           HB       ILE  78   7.120  -2.661  -1.313
  576   HG12  ILE  78          HG12      ILE  78   6.082  -0.487  -0.964
  577   HG13  ILE  78          HG11      ILE  78   5.627  -1.588   0.330
  578   HG21  ILE  78          HG21      ILE  78   8.432  -2.273   1.379
  579   HG22  ILE  78          HG22      ILE  78   8.700  -3.617   0.269
  580   HG23  ILE  78          HG23      ILE  78   7.123  -3.406   1.030
  581   HD11  ILE  78          HD11      ILE  78   7.262  -0.513   1.806
  582   HD12  ILE  78          HD12      ILE  78   6.084   0.643   1.182
  583   HD13  ILE  78          HD13      ILE  78   7.709   0.588   0.502
  584    H    ASN  79           HN       ASN  79   8.914  -2.995  -2.999
  585    HA   ASN  79           HA       ASN  79  10.955  -4.594  -1.880
  586    HB2  ASN  79           HB2      ASN  79   9.846  -4.490  -4.671
  587    HB3  ASN  79           HB1      ASN  79  11.158  -5.580  -4.232
  588   HD21  ASN  79          HD21      ASN  79   7.775  -4.861  -3.828
  589   HD22  ASN  79          HD22      ASN  79   7.386  -6.377  -3.085
  590    H    GLY  80           HN       GLY  80  11.113  -1.891  -4.044
  591    HA2  GLY  80           HA2      GLY  80  13.905  -2.198  -4.617
  592    HA3  GLY  80           HA1      GLY  80  12.937  -0.750  -4.894
  593    H    ALA  81           HN       ALA  81  11.999  -0.418  -2.254
  594    HA   ALA  81           HA       ALA  81  14.168   0.994  -1.118
  595    HB1  ALA  81           HB1      ALA  81  11.846   1.752  -0.913
  596    HB2  ALA  81           HB2      ALA  81  12.615   1.572   0.666
  597    HB3  ALA  81           HB3      ALA  81  11.482   0.348   0.091
  598    H    LEU  82           HN       LEU  82  12.902  -2.178  -0.656
  599    HA   LEU  82           HA       LEU  82  14.092  -2.761   1.840
  600    HB2  LEU  82           HB2      LEU  82  13.530  -4.626  -0.475
  601    HB3  LEU  82           HB1      LEU  82  13.955  -5.146   1.142
  602    HG   LEU  82           HG       LEU  82  11.452  -3.641   0.388
  603   HD11  LEU  82          HD11      LEU  82  11.847  -6.527   1.135
  604   HD12  LEU  82          HD12      LEU  82  11.422  -5.901  -0.460
  605   HD13  LEU  82          HD13      LEU  82  10.294  -5.728   0.883
  606   HD21  LEU  82          HD21      LEU  82  12.180  -3.121   2.659
  607   HD22  LEU  82          HD22      LEU  82  12.303  -4.839   3.027
  608   HD23  LEU  82          HD23      LEU  82  10.729  -4.122   2.681
  609    H    ALA  83           HN       ALA  83  15.295  -2.850  -1.453
  610    HA   ALA  83           HA       ALA  83  17.850  -3.922  -0.891
  611    HB1  ALA  83           HB1      ALA  83  16.995  -2.093  -3.141
  612    HB2  ALA  83           HB2      ALA  83  16.915  -3.855  -3.164
  613    HB3  ALA  83           HB3      ALA  83  18.478  -3.045  -3.088
  614    H    GLU  84           HN       GLU  84  16.487  -0.744  -0.807
  615    HA   GLU  84           HA       GLU  84  18.946   0.685  -0.484
  616    HB2  GLU  84           HB2      GLU  84  16.120   1.569   0.142
  617    HB3  GLU  84           HB1      GLU  84  17.519   2.614  -0.041
  618    HG2  GLU  84           HG2      GLU  84  16.394   0.879  -2.232
  619    HG3  GLU  84           HG1      GLU  84  16.004   2.580  -2.006
  620    H    ALA  85           HN       ALA  85  16.327  -0.281   1.695
  621    HA   ALA  85           HA       ALA  85  17.804   0.600   4.009
  622    HB1  ALA  85           HB1      ALA  85  15.377   0.961   3.917
  623    HB2  ALA  85           HB2      ALA  85  15.826  -0.061   5.283
  624    HB3  ALA  85           HB3      ALA  85  15.124  -0.782   3.834
  625    H    ALA  86           HN       ALA  86  19.492  -0.886   3.330
  626    HA   ALA  86           HA       ALA  86  19.279  -3.340   4.847
  627    HB1  ALA  86           HB1      ALA  86  20.322  -3.207   2.008
  628    HB2  ALA  86           HB2      ALA  86  18.845  -4.018   2.525
  629    HB3  ALA  86           HB3      ALA  86  20.415  -4.616   3.065
  630    H28  SXH  87          H28B      SXH  87  -2.787  12.843   2.902
  631   H28A  SXH  87          H28A      SXH  87  -2.934  14.518   3.435
  632    H30  SXH  87          H30C      SXH  87   0.706  13.748   3.211
  633   H30A  SXH  87          H30A      SXH  87  -0.541  12.547   3.556
  634   H30B  SXH  87          H30B      SXH  87  -0.617  14.139   4.311
  635    H31  SXH  87          H31A      SXH  87  -1.435  13.648   0.170
  636   H31A  SXH  87          H31C      SXH  87   0.228  13.491   0.741
  637   H31B  SXH  87          H31B      SXH  87  -0.968  12.269   1.168
  638    H32  SXH  87          H32A      SXH  87  -1.122  16.254   2.857
  639   HO33  SXH  87          H33A      SXH  87  -0.891  16.214   0.189
  640   HN36  SXH  87          H36A      SXH  87   1.104  15.880   3.533
  641    H37  SXH  87          H37A      SXH  87   3.422  15.410   2.068
  642   H37A  SXH  87          H37B      SXH  87   2.939  17.012   1.620
  643    H38  SXH  87          H38A      SXH  87   4.478  17.401   3.209
  644   H38A  SXH  87          H38B      SXH  87   2.927  17.651   4.084
  645   HN41  SXH  87          H41A      SXH  87   3.343  14.491   3.719
  646    H42  SXH  87          H42A      SXH  87   5.409  13.511   5.208
  647   H42A  SXH  87          H42B      SXH  87   4.211  13.982   6.412
  648    H43  SXH  87          H43A      SXH  87   2.578  12.508   5.359
  649   H43A  SXH  87          H43B      SXH  87   4.040  11.601   5.799
  650    H2   SXH  87           H2A      SXH  87   1.909   8.971   2.381
  651    H2A  SXH  87           H2B      SXH  87   3.431   9.577   1.716
  652    H3   SXH  87           H3A      SXH  87   2.364  11.728   1.237
  653    H3A  SXH  87           H3B      SXH  87   0.852  11.142   1.924
  654    H4   SXH  87           H4B      SXH  87   0.860  11.070  -0.543
  655    H4A  SXH  87           H4A      SXH  87   2.227   9.962  -0.488
  656    H5   SXH  87           H5A      SXH  87   0.796   8.351   0.783
  657    H5A  SXH  87           H5B      SXH  87   0.169   8.712  -0.834
  658    H6   SXH  87           H6C      SXH  87  -1.615   8.731   0.844
  659    H6A  SXH  87           H6A      SXH  87  -1.381  10.333   0.144
  660    H6B  SXH  87           H6B      SXH  87  -0.749   9.969   1.751
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  20.209 -12.935   3.894
    2    H2   MET   1           HT2      MET   1  19.105 -11.751   4.433
    3    H3   MET   1           HT3      MET   1  20.292 -11.347   3.314
    4    HA   MET   1           HA       MET   1  19.367 -12.748   1.657
    5    HB2  MET   1           HB2      MET   1  17.243 -13.874   1.967
    6    HB3  MET   1           HB1      MET   1  18.334 -14.415   3.233
    7    HG2  MET   1           HG2      MET   1  17.238 -12.917   4.819
    8    HG3  MET   1           HG1      MET   1  16.165 -12.349   3.542
    9    HE1  MET   1           HE1      MET   1  17.429 -16.029   4.221
   10    HE2  MET   1           HE2      MET   1  16.130 -16.647   5.242
   11    HE3  MET   1           HE3      MET   1  17.184 -15.365   5.837
   12    H    ALA   2           HN       ALA   2  17.500 -12.026   0.352
   13    HA   ALA   2           HA       ALA   2  17.062  -9.213   0.800
   14    HB1  ALA   2           HB1      ALA   2  16.043  -9.228  -1.421
   15    HB2  ALA   2           HB2      ALA   2  16.124 -10.989  -1.457
   16    HB3  ALA   2           HB3      ALA   2  17.611 -10.038  -1.445
   17    H    THR   3           HN       THR   3  15.556  -8.662   2.174
   18    HA   THR   3           HA       THR   3  13.154 -10.227   2.597
   19    HB   THR   3           HB       THR   3  14.062  -7.611   3.740
   20    HG1  THR   3           HG1      THR   3  14.256 -10.217   4.875
   21   HG21  THR   3          HG21      THR   3  11.995  -9.589   4.728
   22   HG22  THR   3          HG22      THR   3  11.664  -8.001   4.035
   23   HG23  THR   3          HG23      THR   3  12.494  -8.129   5.585
   24    H    LEU   4           HN       LEU   4  11.639  -9.920   1.062
   25    HA   LEU   4           HA       LEU   4  11.262  -7.206   0.005
   26    HB2  LEU   4           HB2      LEU   4  10.940  -9.817  -1.464
   27    HB3  LEU   4           HB1      LEU   4  10.492  -8.251  -2.105
   28    HG   LEU   4           HG       LEU   4  13.293  -9.133  -1.404
   29   HD11  LEU   4          HD11      LEU   4  13.667  -9.047  -3.812
   30   HD12  LEU   4          HD12      LEU   4  11.964  -8.663  -4.062
   31   HD13  LEU   4          HD13      LEU   4  12.425 -10.226  -3.388
   32   HD21  LEU   4          HD21      LEU   4  12.312  -6.566  -2.660
   33   HD22  LEU   4          HD22      LEU   4  13.998  -7.036  -2.450
   34   HD23  LEU   4          HD23      LEU   4  12.984  -6.733  -1.039
   35    H    LEU   5           HN       LEU   5   9.057  -6.942  -1.007
   36    HA   LEU   5           HA       LEU   5   7.038  -7.816   0.930
   37    HB2  LEU   5           HB2      LEU   5   7.443  -5.366   0.472
   38    HB3  LEU   5           HB1      LEU   5   6.991  -5.684  -1.188
   39    HG   LEU   5           HG       LEU   5   4.720  -6.360  -0.376
   40   HD11  LEU   5          HD11      LEU   5   4.041  -5.615   1.827
   41   HD12  LEU   5          HD12      LEU   5   5.709  -5.174   2.190
   42   HD13  LEU   5          HD13      LEU   5   5.282  -6.861   1.910
   43   HD21  LEU   5          HD21      LEU   5   5.129  -4.167  -1.332
   44   HD22  LEU   5          HD22      LEU   5   5.595  -3.556   0.263
   45   HD23  LEU   5          HD23      LEU   5   3.939  -4.104  -0.031
   46    H    THR   6           HN       THR   6   5.565  -9.316   0.216
   47    HA   THR   6           HA       THR   6   5.474  -9.807  -2.635
   48    HB   THR   6           HB       THR   6   4.148 -11.863  -1.916
   49    HG1  THR   6           HG1      THR   6   3.745 -12.158   0.092
   50   HG21  THR   6          HG21      THR   6   6.532 -11.995  -2.493
   51   HG22  THR   6          HG22      THR   6   6.143 -13.102  -1.176
   52   HG23  THR   6          HG23      THR   6   6.960 -11.576  -0.835
   53    H    THR   7           HN       THR   7   3.206 -10.342  -3.486
   54    HA   THR   7           HA       THR   7   1.586  -8.090  -3.264
   55    HB   THR   7           HB       THR   7   0.611 -10.819  -4.159
   56    HG1  THR   7           HG1      THR   7   1.515  -9.712  -6.276
   57   HG21  THR   7          HG21      THR   7   0.059  -7.998  -5.126
   58   HG22  THR   7          HG22      THR   7  -1.029  -8.968  -4.132
   59   HG23  THR   7          HG23      THR   7  -0.662  -9.468  -5.786
   60    H    ASP   8           HN       ASP   8   1.375 -11.262  -1.715
   61    HA   ASP   8           HA       ASP   8  -1.107 -10.828  -0.413
   62    HB2  ASP   8           HB2      ASP   8  -0.720 -12.889   0.730
   63    HB3  ASP   8           HB1      ASP   8  -0.059 -13.090  -0.887
   64    H    ASP   9           HN       ASP   9   2.213 -10.141   0.387
   65    HA   ASP   9           HA       ASP   9   1.784  -9.633   3.167
   66    HB2  ASP   9           HB2      ASP   9   4.086  -9.998   1.898
   67    HB3  ASP   9           HB1      ASP   9   3.924  -8.283   1.576
   68    H    LEU  10           HN       LEU  10   1.910  -7.730   0.246
   69    HA   LEU  10           HA       LEU  10   1.468  -5.193   1.385
   70    HB2  LEU  10           HB2      LEU  10   2.311  -5.510  -0.892
   71    HB3  LEU  10           HB1      LEU  10   0.800  -6.256  -1.361
   72    HG   LEU  10           HG       LEU  10  -0.360  -4.113  -1.028
   73   HD11  LEU  10          HD11      LEU  10   2.398  -3.022  -0.477
   74   HD12  LEU  10          HD12      LEU  10   1.077  -3.151   0.685
   75   HD13  LEU  10          HD13      LEU  10   0.933  -2.062  -0.693
   76   HD21  LEU  10          HD21      LEU  10   2.051  -3.963  -2.830
   77   HD22  LEU  10          HD22      LEU  10   0.603  -2.965  -2.959
   78   HD23  LEU  10          HD23      LEU  10   0.499  -4.705  -3.224
   79    H    ARG  11           HN       ARG  11  -0.662  -7.733   0.227
   80    HA   ARG  11           HA       ARG  11  -3.136  -6.567   0.475
   81    HB2  ARG  11           HB2      ARG  11  -2.782  -8.884  -0.317
   82    HB3  ARG  11           HB1      ARG  11  -2.422  -9.381   1.331
   83    HG2  ARG  11           HG2      ARG  11  -4.704  -8.742   1.998
   84    HG3  ARG  11           HG1      ARG  11  -5.053  -8.306   0.326
   85    HD2  ARG  11           HD2      ARG  11  -4.228 -11.040   1.286
   86    HD3  ARG  11           HD1      ARG  11  -5.878 -10.546   0.929
   87    HE   ARG  11           HE       ARG  11  -4.930 -10.120  -1.410
   88   HH11  ARG  11          HH11      ARG  11  -3.504 -12.585   0.698
   89   HH12  ARG  11          HH12      ARG  11  -3.261 -13.704  -0.572
   90   HH21  ARG  11          HH21      ARG  11  -4.593 -11.631  -3.106
   91   HH22  ARG  11          HH22      ARG  11  -3.953 -13.173  -2.809
   92    H    ARG  12           HN       ARG  12  -1.176  -8.068   3.033
   93    HA   ARG  12           HA       ARG  12  -2.916  -7.716   5.195
   94    HB2  ARG  12           HB2      ARG  12   0.080  -7.649   5.121
   95    HB3  ARG  12           HB1      ARG  12  -0.821  -7.477   6.607
   96    HG2  ARG  12           HG2      ARG  12  -1.836  -9.753   6.018
   97    HG3  ARG  12           HG1      ARG  12  -0.521  -9.869   4.838
   98    HD2  ARG  12           HD2      ARG  12   0.079 -10.873   7.033
   99    HD3  ARG  12           HD1      ARG  12   1.135  -9.527   6.584
  100    HE   ARG  12           HE       ARG  12  -1.130  -8.713   8.144
  101   HH11  ARG  12          HH11      ARG  12   2.192 -10.012   8.563
  102   HH12  ARG  12          HH12      ARG  12   2.364  -9.242  10.079
  103   HH21  ARG  12          HH21      ARG  12  -0.827  -7.745  10.096
  104   HH22  ARG  12          HH22      ARG  12   0.620  -7.903  11.017
  105    H    ALA  13           HN       ALA  13  -0.423  -5.562   3.963
  106    HA   ALA  13           HA       ALA  13  -0.670  -3.605   5.964
  107    HB1  ALA  13           HB1      ALA  13   0.267  -3.258   3.116
  108    HB2  ALA  13           HB2      ALA  13   1.271  -3.747   4.480
  109    HB3  ALA  13           HB3      ALA  13   0.553  -2.135   4.446
  110    H    LEU  14           HN       LEU  14  -2.127  -3.894   2.787
  111    HA   LEU  14           HA       LEU  14  -3.568  -1.482   2.923
  112    HB2  LEU  14           HB2      LEU  14  -4.072  -3.941   1.261
  113    HB3  LEU  14           HB1      LEU  14  -4.872  -2.401   1.038
  114    HG   LEU  14           HG       LEU  14  -1.915  -2.909   0.671
  115   HD11  LEU  14          HD11      LEU  14  -3.261  -3.927  -1.063
  116   HD12  LEU  14          HD12      LEU  14  -2.390  -2.525  -1.685
  117   HD13  LEU  14          HD13      LEU  14  -4.108  -2.403  -1.322
  118   HD21  LEU  14          HD21      LEU  14  -2.375  -0.638   1.435
  119   HD22  LEU  14          HD22      LEU  14  -3.554  -0.436   0.140
  120   HD23  LEU  14          HD23      LEU  14  -1.846  -0.650  -0.246
  121    H    VAL  15           HN       VAL  15  -4.655  -4.852   3.425
  122    HA   VAL  15           HA       VAL  15  -7.319  -4.066   4.020
  123    HB   VAL  15           HB       VAL  15  -6.624  -6.343   3.144
  124   HG11  VAL  15          HG11      VAL  15  -4.802  -6.838   4.609
  125   HG12  VAL  15          HG12      VAL  15  -6.031  -8.098   4.731
  126   HG13  VAL  15          HG13      VAL  15  -5.885  -6.878   6.000
  127   HG21  VAL  15          HG21      VAL  15  -8.897  -5.996   3.911
  128   HG22  VAL  15          HG22      VAL  15  -8.412  -6.361   5.566
  129   HG23  VAL  15          HG23      VAL  15  -8.352  -7.621   4.331
  130    H    GLU  16           HN       GLU  16  -4.528  -4.234   6.020
  131    HA   GLU  16           HA       GLU  16  -6.152  -4.181   8.386
  132    HB2  GLU  16           HB2      GLU  16  -3.171  -4.064   8.015
  133    HB3  GLU  16           HB1      GLU  16  -3.930  -3.841   9.587
  134    HG2  GLU  16           HG2      GLU  16  -4.976  -6.045   9.400
  135    HG3  GLU  16           HG1      GLU  16  -4.201  -6.274   7.834
  136    H    SER  17           HN       SER  17  -4.837  -1.921   6.235
  137    HA   SER  17           HA       SER  17  -5.187   0.295   8.054
  138    HB2  SER  17           HB2      SER  17  -4.795   0.274   5.045
  139    HB3  SER  17           HB1      SER  17  -4.672   1.685   6.097
  140    HG   SER  17           HG       SER  17  -2.987  -0.592   5.990
  141    H    ALA  18           HN       ALA  18  -6.747  -1.146   5.201
  142    HA   ALA  18           HA       ALA  18  -9.355  -0.396   6.104
  143    HB1  ALA  18           HB1      ALA  18  -9.934   0.850   4.120
  144    HB2  ALA  18           HB2      ALA  18  -8.284   0.639   3.528
  145    HB3  ALA  18           HB3      ALA  18  -8.581   1.654   4.956
  146    H    GLY  19           HN       GLY  19  -9.671  -2.637   6.043
  147    HA2  GLY  19           HA2      GLY  19  -9.633  -3.852   3.394
  148    HA3  GLY  19           HA1      GLY  19  -9.957  -4.682   4.924
  149    H    GLU  20           HN       GLU  20 -11.740  -3.440   6.140
  150    HA   GLU  20           HA       GLU  20 -13.934  -3.067   6.455
  151    HB2  GLU  20           HB2      GLU  20 -13.674  -1.481   3.903
  152    HB3  GLU  20           HB1      GLU  20 -14.883  -1.253   5.162
  153    HG2  GLU  20           HG2      GLU  20 -11.912  -0.792   5.416
  154    HG3  GLU  20           HG1      GLU  20 -13.163   0.443   5.319
  155    H    THR  21           HN       THR  21 -16.196  -2.807   5.006
  156    HA   THR  21           HA       THR  21 -16.301  -4.711   2.848
  157    HB   THR  21           HB       THR  21 -16.401  -6.143   4.919
  158    HG1  THR  21           HG1      THR  21 -17.587  -6.602   2.887
  159   HG21  THR  21          HG21      THR  21 -18.441  -6.115   6.310
  160   HG22  THR  21          HG22      THR  21 -19.005  -4.693   5.432
  161   HG23  THR  21          HG23      THR  21 -17.548  -4.598   6.424
  162    H    ASP  22           HN       ASP  22 -16.856  -1.867   3.371
  163    HA   ASP  22           HA       ASP  22 -19.747  -1.488   3.382
  164    HB2  ASP  22           HB2      ASP  22 -17.593   0.555   2.778
  165    HB3  ASP  22           HB1      ASP  22 -19.259   0.881   3.228
  166    H    GLY  23           HN       GLY  23 -17.091  -0.974   1.231
  167    HA2  GLY  23           HA2      GLY  23 -18.215  -1.687  -1.192
  168    HA3  GLY  23           HA1      GLY  23 -18.420   0.069  -1.004
  169    H    THR  24           HN       THR  24 -16.413   0.724   0.486
  170    HA   THR  24           HA       THR  24 -14.022   0.351  -0.999
  171    HB   THR  24           HB       THR  24 -14.243   2.448   0.165
  172    HG1  THR  24           HG1      THR  24 -12.129   1.425   0.287
  173   HG21  THR  24          HG21      THR  24 -15.872   1.893   1.890
  174   HG22  THR  24          HG22      THR  24 -14.464   2.638   2.640
  175   HG23  THR  24          HG23      THR  24 -14.682   0.895   2.723
  176    H    ASP  25           HN       ASP  25 -14.249  -2.007  -0.991
  177    HA   ASP  25           HA       ASP  25 -13.079  -3.132   1.414
  178    HB2  ASP  25           HB2      ASP  25 -14.272  -5.247   1.052
  179    HB3  ASP  25           HB1      ASP  25 -15.389  -3.914   1.257
  180    H    LEU  26           HN       LEU  26 -11.317  -4.100   1.242
  181    HA   LEU  26           HA       LEU  26 -10.260  -4.679  -1.441
  182    HB2  LEU  26           HB2      LEU  26  -9.421  -2.557  -0.453
  183    HB3  LEU  26           HB1      LEU  26  -8.809  -3.452   0.910
  184    HG   LEU  26           HG       LEU  26  -7.774  -3.845  -1.913
  185   HD11  LEU  26          HD11      LEU  26  -6.727  -2.081   0.291
  186   HD12  LEU  26          HD12      LEU  26  -7.462  -1.535  -1.216
  187   HD13  LEU  26          HD13      LEU  26  -5.924  -2.400  -1.247
  188   HD21  LEU  26          HD21      LEU  26  -5.808  -4.780  -0.782
  189   HD22  LEU  26          HD22      LEU  26  -7.258  -5.675  -0.330
  190   HD23  LEU  26          HD23      LEU  26  -6.564  -4.500   0.787
  191    H    SER  27           HN       SER  27  -9.687  -6.747  -1.670
  192    HA   SER  27           HA       SER  27  -8.015  -8.077   0.134
  193    HB2  SER  27           HB2      SER  27 -10.297  -8.352   1.281
  194    HB3  SER  27           HB1      SER  27 -10.773  -9.298  -0.128
  195    HG   SER  27           HG       SER  27 -10.038 -10.679   1.448
  196    H    GLY  28           HN       GLY  28  -7.909 -10.494  -0.706
  197    HA2  GLY  28           HA2      GLY  28  -7.391 -11.895  -2.456
  198    HA3  GLY  28           HA1      GLY  28  -8.655 -11.075  -3.365
  199    H    ASP  29           HN       ASP  29  -7.838 -10.498  -5.247
  200    HA   ASP  29           HA       ASP  29  -5.076  -9.486  -5.340
  201    HB2  ASP  29           HB2      ASP  29  -5.866 -11.273  -7.019
  202    HB3  ASP  29           HB1      ASP  29  -6.843 -10.000  -7.745
  203    H    PHE  30           HN       PHE  30  -4.671  -7.450  -5.997
  204    HA   PHE  30           HA       PHE  30  -6.880  -5.618  -6.605
  205    HB2  PHE  30           HB2      PHE  30  -6.122  -4.153  -4.666
  206    HB3  PHE  30           HB1      PHE  30  -6.992  -5.622  -4.221
  207    HD1  PHE  30           HD2      PHE  30  -3.595  -4.194  -4.564
  208    HD2  PHE  30           HD1      PHE  30  -5.990  -7.214  -2.778
  209    HE1  PHE  30           HE2      PHE  30  -1.736  -4.811  -3.097
  210    HE2  PHE  30           HE1      PHE  30  -4.132  -7.826  -1.304
  211    HZ   PHE  30           HZ       PHE  30  -1.954  -6.846  -1.636
  212    H    LEU  31           HN       LEU  31  -3.970  -6.667  -7.430
  213    HA   LEU  31           HA       LEU  31  -2.089  -4.701  -6.851
  214    HB2  LEU  31           HB2      LEU  31  -1.657  -7.019  -7.746
  215    HB3  LEU  31           HB1      LEU  31  -1.981  -6.366  -9.344
  216    HG   LEU  31           HG       LEU  31  -0.213  -4.610  -8.726
  217   HD11  LEU  31          HD11      LEU  31  -0.008  -5.091  -6.409
  218   HD12  LEU  31          HD12      LEU  31   1.532  -5.394  -7.213
  219   HD13  LEU  31          HD13      LEU  31   0.497  -6.744  -6.752
  220   HD21  LEU  31          HD21      LEU  31   0.691  -7.443  -9.283
  221   HD22  LEU  31          HD22      LEU  31   1.551  -5.916  -9.646
  222   HD23  LEU  31          HD23      LEU  31   0.063  -6.290 -10.472
  223    H    ASP  32           HN       ASP  32  -4.317  -4.844  -9.553
  224    HA   ASP  32           HA       ASP  32  -2.967  -2.558 -10.816
  225    HB2  ASP  32           HB2      ASP  32  -5.152  -4.308 -11.937
  226    HB3  ASP  32           HB1      ASP  32  -4.211  -3.108 -12.809
  227    H    LEU  33           HN       LEU  33  -5.171  -2.795  -8.539
  228    HA   LEU  33           HA       LEU  33  -7.292  -1.267  -9.777
  229    HB2  LEU  33           HB2      LEU  33  -6.960  -2.499  -7.076
  230    HB3  LEU  33           HB1      LEU  33  -8.150  -1.243  -7.309
  231    HG   LEU  33           HG       LEU  33  -9.307  -2.624  -8.970
  232   HD11  LEU  33          HD11      LEU  33  -7.462  -3.872  -9.887
  233   HD12  LEU  33          HD12      LEU  33  -8.698  -4.975  -9.280
  234   HD13  LEU  33          HD13      LEU  33  -7.224  -4.703  -8.355
  235   HD21  LEU  33          HD21      LEU  33 -10.131  -4.341  -7.448
  236   HD22  LEU  33          HD22      LEU  33  -9.957  -2.775  -6.651
  237   HD23  LEU  33          HD23      LEU  33  -8.764  -4.042  -6.376
  238    H    ARG  34           HN       ARG  34  -7.750   0.769  -9.516
  239    HA   ARG  34           HA       ARG  34  -5.717   2.520  -8.501
  240    HB2  ARG  34           HB2      ARG  34  -8.471   3.022  -9.641
  241    HB3  ARG  34           HB1      ARG  34  -7.380   4.301  -9.136
  242    HG2  ARG  34           HG2      ARG  34  -6.795   2.280 -11.295
  243    HG3  ARG  34           HG1      ARG  34  -7.348   3.939 -11.559
  244    HD2  ARG  34           HD2      ARG  34  -5.369   4.755 -10.350
  245    HD3  ARG  34           HD1      ARG  34  -4.807   3.098 -10.185
  246    HE   ARG  34           HE       ARG  34  -4.590   3.030 -12.601
  247   HH11  ARG  34          HH11      ARG  34  -5.068   6.247 -11.183
  248   HH12  ARG  34          HH12      ARG  34  -4.060   7.065 -12.256
  249   HH21  ARG  34          HH21      ARG  34  -3.112   4.171 -14.128
  250   HH22  ARG  34          HH22      ARG  34  -2.919   5.854 -13.932
  251    H    PHE  35           HN       PHE  35  -5.605   3.333  -6.534
  252    HA   PHE  35           HA       PHE  35  -7.076   2.463  -4.371
  253    HB2  PHE  35           HB2      PHE  35  -5.474   5.002  -4.652
  254    HB3  PHE  35           HB1      PHE  35  -6.183   4.483  -3.129
  255    HD1  PHE  35           HD1      PHE  35  -5.624   1.887  -2.600
  256    HD2  PHE  35           HD2      PHE  35  -3.259   4.522  -4.947
  257    HE1  PHE  35           HE1      PHE  35  -3.639   0.523  -2.114
  258    HE2  PHE  35           HE2      PHE  35  -1.265   3.160  -4.473
  259    HZ   PHE  35           HZ       PHE  35  -1.452   1.160  -3.051
  260    H    GLU  36           HN       GLU  36  -7.647   5.357  -6.246
  261    HA   GLU  36           HA       GLU  36  -9.660   6.597  -4.834
  262    HB2  GLU  36           HB2      GLU  36 -10.451   7.444  -7.019
  263    HB3  GLU  36           HB1      GLU  36  -8.707   7.576  -6.818
  264    HG2  GLU  36           HG2      GLU  36  -8.304   5.734  -8.238
  265    HG3  GLU  36           HG1      GLU  36 -10.004   5.280  -8.241
  266    H    ASP  37           HN       ASP  37  -9.901   3.684  -6.785
  267    HA   ASP  37           HA       ASP  37 -12.802   3.844  -6.833
  268    HB2  ASP  37           HB2      ASP  37 -11.659   3.165  -8.886
  269    HB3  ASP  37           HB1      ASP  37 -10.972   1.775  -8.049
  270    H    ILE  38           HN       ILE  38 -10.353   2.310  -5.033
  271    HA   ILE  38           HA       ILE  38 -12.294   0.429  -3.936
  272    HB   ILE  38           HB       ILE  38 -10.353  -0.495  -2.612
  273   HG12  ILE  38          HG12      ILE  38  -8.768   1.354  -4.412
  274   HG13  ILE  38          HG11      ILE  38  -8.879   1.442  -2.660
  275   HG21  ILE  38          HG21      ILE  38  -9.380  -1.697  -4.486
  276   HG22  ILE  38          HG22      ILE  38 -10.131  -0.553  -5.605
  277   HG23  ILE  38          HG23      ILE  38 -11.138  -1.595  -4.596
  278   HD11  ILE  38          HD11      ILE  38  -7.604  -0.773  -4.248
  279   HD12  ILE  38          HD12      ILE  38  -7.706  -0.692  -2.489
  280   HD13  ILE  38          HD13      ILE  38  -6.761   0.506  -3.375
  281    H    GLY  39           HN       GLY  39 -12.105   3.372  -3.552
  282    HA2  GLY  39           HA2      GLY  39 -12.647   4.884  -1.921
  283    HA3  GLY  39           HA1      GLY  39 -13.134   3.502  -0.948
  284    H    TYR  40           HN       TYR  40  -9.901   4.062  -2.169
  285    HA   TYR  40           HA       TYR  40  -8.935   4.026   0.583
  286    HB2  TYR  40           HB2      TYR  40  -8.193   2.640  -1.688
  287    HB3  TYR  40           HB1      TYR  40  -7.033   3.954  -1.638
  288    HD1  TYR  40           HD1      TYR  40  -8.413   1.156   0.355
  289    HD2  TYR  40           HD2      TYR  40  -5.212   3.872  -0.237
  290    HE1  TYR  40           HE1      TYR  40  -7.085  -0.059   2.021
  291    HE2  TYR  40           HE2      TYR  40  -3.869   2.683   1.410
  292    HH   TYR  40           HH       TYR  40  -4.941  -0.367   2.774
  293    H    ASP  41           HN       ASP  41  -8.981   6.117   1.255
  294    HA   ASP  41           HA       ASP  41  -8.309   8.262  -0.574
  295    HB2  ASP  41           HB2      ASP  41  -9.012   8.363   2.376
  296    HB3  ASP  41           HB1      ASP  41  -8.739   9.767   1.360
  297    H    SER  42           HN       SER  42  -6.837   9.987   0.291
  298    HA   SER  42           HA       SER  42  -4.201   9.278   0.455
  299    HB2  SER  42           HB2      SER  42  -3.938  11.599   1.388
  300    HB3  SER  42           HB1      SER  42  -4.961  11.504  -0.060
  301    H    LEU  43           HN       LEU  43  -6.516   9.703   3.029
  302    HA   LEU  43           HA       LEU  43  -4.768   9.627   5.236
  303    HB2  LEU  43           HB2      LEU  43  -7.200  10.424   5.152
  304    HB3  LEU  43           HB1      LEU  43  -7.660   8.741   5.233
  305    HG   LEU  43           HG       LEU  43  -7.836   9.993   7.396
  306   HD11  LEU  43          HD11      LEU  43  -5.905   7.683   7.449
  307   HD12  LEU  43          HD12      LEU  43  -7.662   7.570   7.464
  308   HD13  LEU  43          HD13      LEU  43  -6.816   8.304   8.827
  309   HD21  LEU  43          HD21      LEU  43  -5.790  10.493   8.633
  310   HD22  LEU  43          HD22      LEU  43  -5.911  11.428   7.142
  311   HD23  LEU  43          HD23      LEU  43  -4.832  10.037   7.224
  312    H    ALA  44           HN       ALA  44  -6.629   7.069   3.597
  313    HA   ALA  44           HA       ALA  44  -5.732   4.981   5.264
  314    HB1  ALA  44           HB1      ALA  44  -6.492   3.475   3.499
  315    HB2  ALA  44           HB2      ALA  44  -6.610   4.832   2.379
  316    HB3  ALA  44           HB3      ALA  44  -7.673   4.755   3.784
  317    H    LEU  45           HN       LEU  45  -4.440   6.443   2.358
  318    HA   LEU  45           HA       LEU  45  -2.377   4.623   1.854
  319    HB2  LEU  45           HB2      LEU  45  -2.506   7.572   1.258
  320    HB3  LEU  45           HB1      LEU  45  -1.218   6.527   0.698
  321    HG   LEU  45           HG       LEU  45  -4.133   6.349  -0.075
  322   HD11  LEU  45          HD11      LEU  45  -3.313   6.977  -2.289
  323   HD12  LEU  45          HD12      LEU  45  -1.679   7.110  -1.643
  324   HD13  LEU  45          HD13      LEU  45  -2.936   8.221  -1.091
  325   HD21  LEU  45          HD21      LEU  45  -1.778   4.694  -0.984
  326   HD22  LEU  45          HD22      LEU  45  -3.424   4.601  -1.617
  327   HD23  LEU  45          HD23      LEU  45  -3.096   4.135   0.047
  328    H    MET  46           HN       MET  46  -2.369   7.526   3.913
  329    HA   MET  46           HA       MET  46   0.388   7.319   4.539
  330    HB2  MET  46           HB2      MET  46   0.069   8.904   6.349
  331    HB3  MET  46           HB1      MET  46  -0.886   9.430   4.975
  332    HG2  MET  46           HG2      MET  46  -2.906   8.615   6.029
  333    HG3  MET  46           HG1      MET  46  -1.973   7.951   7.361
  334    HE1  MET  46           HE1      MET  46  -0.688  11.220   9.139
  335    HE2  MET  46           HE2      MET  46   0.155  10.280   7.910
  336    HE3  MET  46           HE3      MET  46  -0.730   9.457   9.195
  337    H    GLU  47           HN       GLU  47  -2.453   5.875   6.018
  338    HA   GLU  47           HA       GLU  47  -1.201   4.869   8.321
  339    HB2  GLU  47           HB2      GLU  47  -3.543   3.716   6.788
  340    HB3  GLU  47           HB1      GLU  47  -3.096   3.295   8.435
  341    HG2  GLU  47           HG2      GLU  47  -3.982   6.008   7.492
  342    HG3  GLU  47           HG1      GLU  47  -4.989   4.840   8.345
  343    H    THR  48           HN       THR  48  -1.825   3.419   5.156
  344    HA   THR  48           HA       THR  48  -0.621   0.941   5.566
  345    HB   THR  48           HB       THR  48  -0.868   2.565   3.032
  346    HG1  THR  48           HG1      THR  48  -2.620   1.221   4.674
  347   HG21  THR  48          HG21      THR  48   0.620   0.601   2.823
  348   HG22  THR  48          HG22      THR  48  -0.869   0.392   1.909
  349   HG23  THR  48          HG23      THR  48  -0.665  -0.432   3.458
  350    H    ALA  49           HN       ALA  49   0.685   3.913   4.078
  351    HA   ALA  49           HA       ALA  49   3.206   3.004   3.403
  352    HB1  ALA  49           HB1      ALA  49   2.424   5.798   4.236
  353    HB2  ALA  49           HB2      ALA  49   2.254   5.120   2.617
  354    HB3  ALA  49           HB3      ALA  49   3.858   5.351   3.313
  355    H    ALA  50           HN       ALA  50   2.235   4.766   6.342
  356    HA   ALA  50           HA       ALA  50   4.731   4.849   7.557
  357    HB1  ALA  50           HB1      ALA  50   3.551   5.355   9.600
  358    HB2  ALA  50           HB2      ALA  50   2.044   4.775   8.893
  359    HB3  ALA  50           HB3      ALA  50   2.831   6.209   8.237
  360    H    ARG  51           HN       ARG  51   2.255   2.376   7.660
  361    HA   ARG  51           HA       ARG  51   3.402   0.901   9.803
  362    HB2  ARG  51           HB2      ARG  51   1.006   0.748   9.129
  363    HB3  ARG  51           HB1      ARG  51   1.497  -0.084   7.662
  364    HG2  ARG  51           HG2      ARG  51   2.360  -1.937   8.967
  365    HG3  ARG  51           HG1      ARG  51   1.966  -1.092  10.463
  366    HD2  ARG  51           HD2      ARG  51  -0.005  -2.002   8.363
  367    HD3  ARG  51           HD1      ARG  51   0.282  -2.793   9.910
  368    HE   ARG  51           HE       ARG  51  -0.602   0.009   9.924
  369   HH11  ARG  51          HH11      ARG  51  -1.336  -3.364  10.669
  370   HH12  ARG  51          HH12      ARG  51  -2.841  -3.029  11.388
  371   HH21  ARG  51          HH21      ARG  51  -2.596   0.510  10.979
  372   HH22  ARG  51          HH22      ARG  51  -3.586  -0.757  11.549
  373    H    LEU  52           HN       LEU  52   3.837   0.877   6.342
  374    HA   LEU  52           HA       LEU  52   5.438  -1.512   6.383
  375    HB2  LEU  52           HB2      LEU  52   4.915   0.526   4.232
  376    HB3  LEU  52           HB1      LEU  52   5.991  -0.837   4.008
  377    HG   LEU  52           HG       LEU  52   3.059  -1.072   4.676
  378   HD11  LEU  52          HD11      LEU  52   4.498  -1.423   2.048
  379   HD12  LEU  52          HD12      LEU  52   3.377  -0.121   2.449
  380   HD13  LEU  52          HD13      LEU  52   2.797  -1.785   2.344
  381   HD21  LEU  52          HD21      LEU  52   4.379  -2.961   5.438
  382   HD22  LEU  52          HD22      LEU  52   5.091  -3.129   3.835
  383   HD23  LEU  52          HD23      LEU  52   3.367  -3.419   4.068
  384    H    GLU  53           HN       GLU  53   6.004   1.944   6.352
  385    HA   GLU  53           HA       GLU  53   8.750   2.000   5.915
  386    HB2  GLU  53           HB2      GLU  53   7.104   3.779   7.700
  387    HB3  GLU  53           HB1      GLU  53   8.760   4.103   7.220
  388    HG2  GLU  53           HG2      GLU  53   8.106   4.275   4.930
  389    HG3  GLU  53           HG1      GLU  53   6.443   3.848   5.325
  390    H    SER  54           HN       SER  54   7.040   1.854   9.024
  391    HA   SER  54           HA       SER  54   9.339   1.742  10.606
  392    HB2  SER  54           HB2      SER  54   7.665   0.906  12.321
  393    HB3  SER  54           HB1      SER  54   7.301   2.461  11.566
  394    HG   SER  54           HG       SER  54   5.463   1.190  11.546
  395    H    ARG  55           HN       ARG  55   7.165  -0.768   9.460
  396    HA   ARG  55           HA       ARG  55   8.377  -2.931  10.776
  397    HB2  ARG  55           HB2      ARG  55   6.107  -3.086  10.024
  398    HB3  ARG  55           HB1      ARG  55   6.589  -2.851   8.354
  399    HG2  ARG  55           HG2      ARG  55   7.745  -5.018   8.401
  400    HG3  ARG  55           HG1      ARG  55   7.220  -5.241  10.071
  401    HD2  ARG  55           HD2      ARG  55   4.922  -5.308   9.417
  402    HD3  ARG  55           HD1      ARG  55   5.316  -4.799   7.775
  403    HE   ARG  55           HE       ARG  55   6.392  -7.320   8.798
  404   HH11  ARG  55          HH11      ARG  55   3.947  -5.751   6.709
  405   HH12  ARG  55          HH12      ARG  55   4.017  -7.012   5.554
  406   HH21  ARG  55          HH21      ARG  55   6.276  -9.114   7.185
  407   HH22  ARG  55          HH22      ARG  55   5.268  -8.898   5.827
  408    H    TYR  56           HN       TYR  56   8.910  -1.684   7.477
  409    HA   TYR  56           HA       TYR  56  10.812  -3.842   7.067
  410    HB2  TYR  56           HB2      TYR  56   9.578  -1.862   5.195
  411    HB3  TYR  56           HB1      TYR  56  10.965  -2.840   4.729
  412    HD1  TYR  56           HD2      TYR  56  10.738  -5.257   4.424
  413    HD2  TYR  56           HD1      TYR  56   7.434  -2.847   5.568
  414    HE1  TYR  56           HE2      TYR  56   9.227  -7.086   3.856
  415    HE2  TYR  56           HE1      TYR  56   5.894  -4.651   4.992
  416    HH   TYR  56           HH       TYR  56   6.945  -7.858   4.094
  417    H    GLY  57           HN       GLY  57  10.902  -0.530   7.891
  418    HA2  GLY  57           HA2      GLY  57  12.827   0.622   8.553
  419    HA3  GLY  57           HA1      GLY  57  13.809  -0.646   7.815
  420    H    VAL  58           HN       VAL  58  11.199   1.285   6.484
  421    HA   VAL  58           HA       VAL  58  13.078   2.377   4.536
  422    HB   VAL  58           HB       VAL  58  11.414   2.229   2.729
  423   HG11  VAL  58          HG11      VAL  58  11.929  -0.431   4.015
  424   HG12  VAL  58          HG12      VAL  58  13.010   0.430   2.910
  425   HG13  VAL  58          HG13      VAL  58  11.449  -0.174   2.338
  426   HG21  VAL  58          HG21      VAL  58   9.719   0.682   4.690
  427   HG22  VAL  58          HG22      VAL  58   9.377   0.876   2.969
  428   HG23  VAL  58          HG23      VAL  58   9.363   2.281   4.035
  429    H    SER  59           HN       SER  59  11.952   4.272   3.309
  430    HA   SER  59           HA       SER  59  10.119   5.730   5.039
  431    HB2  SER  59           HB2      SER  59  12.658   6.910   3.833
  432    HB3  SER  59           HB1      SER  59  11.478   7.766   4.822
  433    HG   SER  59           HG       SER  59  12.065   6.264   6.561
  434    H    ILE  60           HN       ILE  60   8.449   6.316   3.734
  435    HA   ILE  60           HA       ILE  60   8.905   6.211   0.853
  436    HB   ILE  60           HB       ILE  60   6.279   6.280   2.384
  437   HG12  ILE  60          HG12      ILE  60   7.681   3.962   1.026
  438   HG13  ILE  60          HG11      ILE  60   7.593   4.212   2.763
  439   HG21  ILE  60          HG21      ILE  60   6.098   7.209   0.115
  440   HG22  ILE  60          HG22      ILE  60   5.264   5.659   0.236
  441   HG23  ILE  60          HG23      ILE  60   6.841   5.749  -0.544
  442   HD11  ILE  60          HD11      ILE  60   5.172   3.949   2.678
  443   HD12  ILE  60          HD12      ILE  60   5.997   2.540   2.004
  444   HD13  ILE  60          HD13      ILE  60   5.255   3.726   0.931
  445    HA   PRO  61           HA       PRO  61   8.944  10.700   1.082
  446    HB2  PRO  61           HB2      PRO  61   9.240  10.428  -1.850
  447    HB3  PRO  61           HB1      PRO  61  10.288  11.248  -0.689
  448    HG2  PRO  61           HG2      PRO  61  11.039   8.963  -1.809
  449    HG3  PRO  61           HG1      PRO  61  11.386   9.297  -0.101
  450    HD2  PRO  61           HD2      PRO  61   9.202   7.618  -1.289
  451    HD3  PRO  61           HD1      PRO  61  10.281   7.251   0.079
  452    H    ASP  62           HN       ASP  62   7.602  12.335   0.466
  453    HA   ASP  62           HA       ASP  62   4.870  11.850   0.215
  454    HB2  ASP  62           HB2      ASP  62   6.426  14.383  -0.347
  455    HB3  ASP  62           HB1      ASP  62   4.675  14.311  -0.377
  456    H    ASP  63           HN       ASP  63   7.203  12.697  -2.258
  457    HA   ASP  63           HA       ASP  63   5.248  13.055  -4.327
  458    HB2  ASP  63           HB2      ASP  63   7.021  13.380  -5.849
  459    HB3  ASP  63           HB1      ASP  63   7.637  14.002  -4.327
  460    H    VAL  64           HN       VAL  64   6.878  10.351  -3.037
  461    HA   VAL  64           HA       VAL  64   6.273   8.633  -5.265
  462    HB   VAL  64           HB       VAL  64   7.236   7.931  -2.479
  463   HG11  VAL  64          HG11      VAL  64   7.803   5.773  -3.482
  464   HG12  VAL  64          HG12      VAL  64   7.088   6.298  -5.008
  465   HG13  VAL  64          HG13      VAL  64   6.071   6.094  -3.580
  466   HG21  VAL  64          HG21      VAL  64   8.843   9.297  -3.722
  467   HG22  VAL  64          HG22      VAL  64   8.742   8.180  -5.084
  468   HG23  VAL  64          HG23      VAL  64   9.421   7.642  -3.547
  469    H    ALA  65           HN       ALA  65   5.210   8.886  -1.881
  470    HA   ALA  65           HA       ALA  65   3.167   6.977  -2.016
  471    HB1  ALA  65           HB1      ALA  65   3.302   9.421  -0.248
  472    HB2  ALA  65           HB2      ALA  65   4.057   7.865   0.094
  473    HB3  ALA  65           HB3      ALA  65   2.299   7.998   0.030
  474    H    GLY  66           HN       GLY  66   3.184  10.361  -2.876
  475    HA2  GLY  66           HA2      GLY  66   0.344  10.468  -3.270
  476    HA3  GLY  66           HA1      GLY  66   1.508  11.716  -3.679
  477    H    ARG  67           HN       ARG  67   2.891   9.237  -5.188
  478    HA   ARG  67           HA       ARG  67   1.429   9.878  -7.667
  479    HB2  ARG  67           HB2      ARG  67   3.366   9.307  -8.932
  480    HB3  ARG  67           HB1      ARG  67   3.915  10.301  -7.592
  481    HG2  ARG  67           HG2      ARG  67   4.748   8.379  -6.427
  482    HG3  ARG  67           HG1      ARG  67   4.035   7.298  -7.624
  483    HD2  ARG  67           HD2      ARG  67   6.391   7.495  -8.020
  484    HD3  ARG  67           HD1      ARG  67   5.508   8.266  -9.329
  485    HE   ARG  67           HE       ARG  67   6.378   9.988  -7.184
  486   HH11  ARG  67          HH11      ARG  67   6.939   8.770 -10.474
  487   HH12  ARG  67          HH12      ARG  67   8.150   9.901 -10.845
  488   HH21  ARG  67          HH21      ARG  67   8.148  11.478  -7.669
  489   HH22  ARG  67          HH22      ARG  67   8.875  11.440  -9.214
  490    H    VAL  68           HN       VAL  68   1.769   7.359  -5.448
  491    HA   VAL  68           HA       VAL  68   1.521   5.294  -7.440
  492    HB   VAL  68           HB       VAL  68   1.495   3.669  -5.536
  493   HG11  VAL  68          HG11      VAL  68   3.759   5.641  -5.511
  494   HG12  VAL  68          HG12      VAL  68   3.579   4.263  -6.599
  495   HG13  VAL  68          HG13      VAL  68   3.823   4.001  -4.870
  496   HG21  VAL  68          HG21      VAL  68   0.514   5.067  -3.774
  497   HG22  VAL  68          HG22      VAL  68   1.944   6.109  -3.805
  498   HG23  VAL  68          HG23      VAL  68   2.089   4.427  -3.288
  499    H    ASP  69           HN       ASP  69  -0.260   5.128  -8.416
  500    HA   ASP  69           HA       ASP  69  -2.748   5.571  -6.958
  501    HB2  ASP  69           HB2      ASP  69  -2.260   5.344  -9.920
  502    HB3  ASP  69           HB1      ASP  69  -3.843   5.564  -9.186
  503    H    THR  70           HN       THR  70  -0.914   3.044  -8.313
  504    HA   THR  70           HA       THR  70  -3.066   1.219  -7.595
  505    HB   THR  70           HB       THR  70  -1.935  -0.417  -9.189
  506    HG1  THR  70           HG1      THR  70  -0.774   1.887 -10.348
  507   HG21  THR  70          HG21      THR  70  -3.059   2.097 -10.428
  508   HG22  THR  70          HG22      THR  70  -4.003   0.734  -9.826
  509   HG23  THR  70          HG23      THR  70  -2.942   0.526 -11.220
  510    HA   PRO  71           HA       PRO  71  -0.471  -0.270  -4.346
  511    HB2  PRO  71           HB2      PRO  71  -1.360  -2.982  -5.194
  512    HB3  PRO  71           HB1      PRO  71  -1.439  -2.223  -3.598
  513    HG2  PRO  71           HG2      PRO  71  -3.632  -2.467  -5.053
  514    HG3  PRO  71           HG1      PRO  71  -3.322  -0.972  -4.147
  515    HD2  PRO  71           HD2      PRO  71  -3.006  -1.512  -7.070
  516    HD3  PRO  71           HD1      PRO  71  -3.632  -0.068  -6.249
  517    H    ARG  72           HN       ARG  72  -0.348  -1.859  -7.447
  518    HA   ARG  72           HA       ARG  72   1.935  -3.404  -7.319
  519    HB2  ARG  72           HB2      ARG  72   0.348  -3.251  -9.198
  520    HB3  ARG  72           HB1      ARG  72   1.025  -1.687  -9.608
  521    HG2  ARG  72           HG2      ARG  72   3.209  -2.796  -9.998
  522    HG3  ARG  72           HG1      ARG  72   2.414  -4.352  -9.722
  523    HD2  ARG  72           HD2      ARG  72   2.527  -3.807 -12.106
  524    HD3  ARG  72           HD1      ARG  72   0.853  -3.887 -11.533
  525    HE   ARG  72           HE       ARG  72   2.237  -1.354 -11.546
  526   HH11  ARG  72          HH11      ARG  72  -0.334  -3.373 -12.979
  527   HH12  ARG  72          HH12      ARG  72  -1.116  -2.090 -13.739
  528   HH21  ARG  72          HH21      ARG  72   1.119   0.415 -12.586
  529   HH22  ARG  72          HH22      ARG  72  -0.288   0.137 -13.506
  530    H    GLU  73           HN       GLU  73   1.671   0.041  -8.108
  531    HA   GLU  73           HA       GLU  73   4.429   0.428  -8.632
  532    HB2  GLU  73           HB2      GLU  73   2.422   2.523  -7.823
  533    HB3  GLU  73           HB1      GLU  73   3.887   2.752  -8.765
  534    HG2  GLU  73           HG2      GLU  73   1.442   1.222  -9.629
  535    HG3  GLU  73           HG1      GLU  73   1.897   2.830 -10.165
  536    H    LEU  74           HN       LEU  74   2.431   0.685  -5.802
  537    HA   LEU  74           HA       LEU  74   4.341   1.927  -4.094
  538    HB2  LEU  74           HB2      LEU  74   1.848   1.893  -3.726
  539    HB3  LEU  74           HB1      LEU  74   1.949   0.187  -3.381
  540    HG   LEU  74           HG       LEU  74   1.644   1.684  -1.387
  541   HD11  LEU  74          HD11      LEU  74   4.134   0.011  -1.354
  542   HD12  LEU  74          HD12      LEU  74   2.486  -0.554  -1.072
  543   HD13  LEU  74          HD13      LEU  74   3.240   0.570   0.062
  544   HD21  LEU  74          HD21      LEU  74   3.050   3.537  -2.074
  545   HD22  LEU  74          HD22      LEU  74   4.478   2.508  -1.994
  546   HD23  LEU  74          HD23      LEU  74   3.587   2.898  -0.521
  547    H    LEU  75           HN       LEU  75   3.369  -1.395  -4.733
  548    HA   LEU  75           HA       LEU  75   5.017  -2.876  -3.056
  549    HB2  LEU  75           HB2      LEU  75   3.245  -3.809  -4.480
  550    HB3  LEU  75           HB1      LEU  75   4.166  -3.404  -5.910
  551    HG   LEU  75           HG       LEU  75   5.906  -5.049  -5.135
  552   HD11  LEU  75          HD11      LEU  75   3.745  -5.833  -3.201
  553   HD12  LEU  75          HD12      LEU  75   5.309  -5.126  -2.792
  554   HD13  LEU  75          HD13      LEU  75   5.230  -6.730  -3.520
  555   HD21  LEU  75          HD21      LEU  75   4.631  -6.992  -5.884
  556   HD22  LEU  75          HD22      LEU  75   4.299  -5.577  -6.884
  557   HD23  LEU  75          HD23      LEU  75   3.132  -6.091  -5.668
  558    H    ASP  76           HN       ASP  76   5.586  -1.699  -6.320
  559    HA   ASP  76           HA       ASP  76   8.199  -2.503  -6.722
  560    HB2  ASP  76           HB2      ASP  76   6.919  -1.668  -8.553
  561    HB3  ASP  76           HB1      ASP  76   6.725  -0.100  -7.781
  562    H    LEU  77           HN       LEU  77   7.046   0.530  -5.262
  563    HA   LEU  77           HA       LEU  77   9.626   1.613  -4.921
  564    HB2  LEU  77           HB2      LEU  77   7.570   2.985  -4.867
  565    HB3  LEU  77           HB1      LEU  77   7.095   2.223  -3.372
  566    HG   LEU  77           HG       LEU  77   8.006   4.564  -3.203
  567   HD11  LEU  77          HD11      LEU  77   9.427   2.489  -1.558
  568   HD12  LEU  77          HD12      LEU  77   7.861   3.222  -1.209
  569   HD13  LEU  77          HD13      LEU  77   9.323   4.209  -1.179
  570   HD21  LEU  77          HD21      LEU  77  10.631   3.212  -3.806
  571   HD22  LEU  77          HD22      LEU  77  10.444   4.869  -3.226
  572   HD23  LEU  77          HD23      LEU  77   9.810   4.411  -4.805
  573    H    ILE  78           HN       ILE  78   7.586  -0.331  -2.818
  574    HA   ILE  78           HA       ILE  78   9.268  -0.188  -0.559
  575    HB   ILE  78           HB       ILE  78   7.333  -2.403  -1.342
  576   HG12  ILE  78          HG12      ILE  78   6.217  -0.243  -1.137
  577   HG13  ILE  78          HG11      ILE  78   5.766  -1.295   0.196
  578   HG21  ILE  78          HG21      ILE  78   8.556  -1.781   1.349
  579   HG22  ILE  78          HG22      ILE  78   8.927  -3.180   0.340
  580   HG23  ILE  78          HG23      ILE  78   7.317  -2.997   1.039
  581   HD11  ILE  78          HD11      ILE  78   7.766   0.951   0.309
  582   HD12  ILE  78          HD12      ILE  78   7.322  -0.099   1.655
  583   HD13  ILE  78          HD13      ILE  78   6.123   0.986   0.948
  584    H    ASN  79           HN       ASN  79   8.942  -2.678  -3.081
  585    HA   ASN  79           HA       ASN  79  11.072  -4.281  -2.192
  586    HB2  ASN  79           HB2      ASN  79   9.770  -4.021  -4.899
  587    HB3  ASN  79           HB1      ASN  79  11.105  -5.133  -4.619
  588   HD21  ASN  79          HD21      ASN  79   8.275  -5.678  -5.316
  589   HD22  ASN  79          HD22      ASN  79   7.736  -6.710  -4.043
  590    H    GLY  80           HN       GLY  80  11.059  -1.457  -4.212
  591    HA2  GLY  80           HA2      GLY  80  13.744  -1.652  -5.111
  592    HA3  GLY  80           HA1      GLY  80  12.785  -0.178  -5.041
  593    H    ALA  81           HN       ALA  81  12.236   0.005  -2.383
  594    HA   ALA  81           HA       ALA  81  14.688   1.043  -1.374
  595    HB1  ALA  81           HB1      ALA  81  13.379   1.707   0.578
  596    HB2  ALA  81           HB2      ALA  81  12.038   0.701   0.030
  597    HB3  ALA  81           HB3      ALA  81  12.524   2.109  -0.912
  598    H    LEU  82           HN       LEU  82  12.977  -1.936  -0.982
  599    HA   LEU  82           HA       LEU  82  14.293  -2.791   1.376
  600    HB2  LEU  82           HB2      LEU  82  12.855  -4.373  -0.738
  601    HB3  LEU  82           HB1      LEU  82  13.463  -5.062   0.756
  602    HG   LEU  82           HG       LEU  82  11.356  -2.926   0.514
  603   HD11  LEU  82          HD11      LEU  82  11.158  -5.801   1.338
  604   HD12  LEU  82          HD12      LEU  82  10.530  -5.085  -0.149
  605   HD13  LEU  82          HD13      LEU  82   9.859  -4.614   1.410
  606   HD21  LEU  82          HD21      LEU  82  11.093  -3.186   2.920
  607   HD22  LEU  82          HD22      LEU  82  12.703  -2.598   2.495
  608   HD23  LEU  82          HD23      LEU  82  12.472  -4.286   2.952
  609    H    ALA  83           HN       ALA  83  15.321  -2.641  -1.856
  610    HA   ALA  83           HA       ALA  83  17.399  -4.565  -1.693
  611    HB1  ALA  83           HB1      ALA  83  16.690  -3.591  -3.836
  612    HB2  ALA  83           HB2      ALA  83  18.416  -3.344  -3.570
  613    HB3  ALA  83           HB3      ALA  83  17.285  -2.015  -3.316
  614    H    GLU  84           HN       GLU  84  17.000  -1.300  -0.639
  615    HA   GLU  84           HA       GLU  84  19.734  -0.935   0.242
  616    HB2  GLU  84           HB2      GLU  84  17.241   0.712   0.724
  617    HB3  GLU  84           HB1      GLU  84  18.874   1.194   1.152
  618    HG2  GLU  84           HG2      GLU  84  17.877   0.694  -1.639
  619    HG3  GLU  84           HG1      GLU  84  18.082   2.276  -0.883
  620    H    ALA  85           HN       ALA  85  16.537  -1.463   1.610
  621    HA   ALA  85           HA       ALA  85  17.384  -1.512   4.324
  622    HB1  ALA  85           HB1      ALA  85  15.077  -0.939   3.700
  623    HB2  ALA  85           HB2      ALA  85  15.127  -2.297   4.826
  624    HB3  ALA  85           HB3      ALA  85  14.834  -2.583   3.113
  625    H    ALA  86           HN       ALA  86  18.932  -2.920   4.663
  626    HA   ALA  86           HA       ALA  86  18.249  -5.727   4.609
  627    HB1  ALA  86           HB1      ALA  86  20.456  -6.306   3.657
  628    HB2  ALA  86           HB2      ALA  86  20.785  -4.590   3.405
  629    HB3  ALA  86           HB3      ALA  86  19.481  -5.380   2.515
  630    H28  SXH  87          H28B      SXH  87  -4.079  12.132   3.631
  631   H28A  SXH  87          H28A      SXH  87  -4.735  13.520   4.492
  632    H30  SXH  87          H30C      SXH  87  -2.826  13.275   6.017
  633   H30A  SXH  87          H30A      SXH  87  -1.171  13.363   5.413
  634   H30B  SXH  87          H30B      SXH  87  -2.174  11.965   5.030
  635    H31  SXH  87          H31A      SXH  87  -2.150  13.790   1.849
  636   H31A  SXH  87          H31C      SXH  87  -0.763  13.713   2.934
  637   H31B  SXH  87          H31B      SXH  87  -1.739  12.271   2.644
  638    H32  SXH  87          H32A      SXH  87  -3.254  15.565   4.988
  639   HO33  SXH  87          H33A      SXH  87  -3.772  15.187   2.534
  640   HN36  SXH  87          H36A      SXH  87  -1.257  15.334   6.166
  641    H37  SXH  87          H37A      SXH  87   1.337  15.882   5.103
  642   H37A  SXH  87          H37B      SXH  87   0.617  17.336   5.783
  643    H38  SXH  87          H38A      SXH  87   2.029  16.245   7.405
  644   H38A  SXH  87          H38B      SXH  87   0.343  16.221   7.943
  645   HN41  SXH  87          H41A      SXH  87   1.680  14.066   5.519
  646    H42  SXH  87          H42A      SXH  87   2.446  11.863   7.108
  647   H42A  SXH  87          H42B      SXH  87   0.741  11.718   6.720
  648    H43  SXH  87          H43A      SXH  87   1.296  11.924   4.302
  649   H43A  SXH  87          H43B      SXH  87   1.909  10.489   5.119
  650    H2   SXH  87           H2A      SXH  87   1.528  11.539   2.924
  651    H2A  SXH  87           H2B      SXH  87   2.089  10.113   2.051
  652    H3   SXH  87           H3A      SXH  87   2.931  11.471   0.259
  653    H3A  SXH  87           H3B      SXH  87   2.598  12.947   1.159
  654    H4   SXH  87           H4B      SXH  87   0.199  12.497   1.059
  655    H4A  SXH  87           H4A      SXH  87   0.900  12.553  -0.556
  656    H5   SXH  87           H5A      SXH  87   0.242  10.039   1.001
  657    H5A  SXH  87           H5B      SXH  87   0.928  10.107  -0.636
  658    H6   SXH  87           H6C      SXH  87  -1.069  11.290  -1.406
  659    H6A  SXH  87           H6A      SXH  87  -1.733  11.238   0.226
  660    H6B  SXH  87           H6B      SXH  87  -1.495   9.742  -0.677
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  20.283 -11.702   1.923
    2    H2   MET   1           HT2      MET   1  20.253 -12.616   0.515
    3    H3   MET   1           HT3      MET   1  20.294 -13.409   2.011
    4    HA   MET   1           HA       MET   1  18.115 -13.511   1.067
    5    HB2  MET   1           HB2      MET   1  18.348 -11.581   3.376
    6    HB3  MET   1           HB1      MET   1  16.814 -12.213   2.808
    7    HG2  MET   1           HG2      MET   1  19.092 -13.867   3.861
    8    HG3  MET   1           HG1      MET   1  17.682 -13.369   4.791
    9    HE1  MET   1           HE1      MET   1  17.126 -15.849   5.470
   10    HE2  MET   1           HE2      MET   1  18.570 -16.380   4.611
   11    HE3  MET   1           HE3      MET   1  17.025 -17.177   4.316
   12    H    ALA   2           HN       ALA   2  16.569 -12.644  -0.132
   13    HA   ALA   2           HA       ALA   2  16.897  -9.836  -0.888
   14    HB1  ALA   2           HB1      ALA   2  15.591 -12.095  -2.428
   15    HB2  ALA   2           HB2      ALA   2  17.166 -11.385  -2.783
   16    HB3  ALA   2           HB3      ALA   2  15.702 -10.420  -2.965
   17    H    THR   3           HN       THR   3  15.697  -8.902   0.668
   18    HA   THR   3           HA       THR   3  13.233  -9.893   1.625
   19    HB   THR   3           HB       THR   3  14.282  -7.086   1.666
   20    HG1  THR   3           HG1      THR   3  15.883  -8.180   2.597
   21   HG21  THR   3          HG21      THR   3  12.452  -8.584   3.559
   22   HG22  THR   3          HG22      THR   3  11.957  -7.328   2.425
   23   HG23  THR   3          HG23      THR   3  13.011  -6.925   3.783
   24    H    LEU   4           HN       LEU   4  11.613 -10.104   0.261
   25    HA   LEU   4           HA       LEU   4  10.873  -7.840  -1.440
   26    HB2  LEU   4           HB2      LEU   4  10.814 -10.755  -2.247
   27    HB3  LEU   4           HB1      LEU   4  10.112  -9.445  -3.173
   28    HG   LEU   4           HG       LEU   4  13.058  -9.777  -2.582
   29   HD11  LEU   4          HD11      LEU   4  12.249 -11.473  -4.121
   30   HD12  LEU   4          HD12      LEU   4  13.259 -10.299  -4.963
   31   HD13  LEU   4          HD13      LEU   4  11.503 -10.229  -5.122
   32   HD21  LEU   4          HD21      LEU   4  11.605  -7.796  -4.338
   33   HD22  LEU   4          HD22      LEU   4  13.354  -7.969  -4.218
   34   HD23  LEU   4          HD23      LEU   4  12.423  -7.432  -2.818
   35    H    LEU   5           HN       LEU   5   8.854  -7.298  -1.295
   36    HA   LEU   5           HA       LEU   5   7.136  -8.809   0.505
   37    HB2  LEU   5           HB2      LEU   5   7.775  -6.326   0.809
   38    HB3  LEU   5           HB1      LEU   5   6.829  -6.015  -0.621
   39    HG   LEU   5           HG       LEU   5   5.665  -7.149   1.934
   40   HD11  LEU   5          HD11      LEU   5   6.582  -4.928   2.319
   41   HD12  LEU   5          HD12      LEU   5   4.821  -4.892   2.326
   42   HD13  LEU   5          HD13      LEU   5   5.710  -4.313   0.915
   43   HD21  LEU   5          HD21      LEU   5   4.390  -5.851  -0.455
   44   HD22  LEU   5          HD22      LEU   5   3.560  -6.441   0.987
   45   HD23  LEU   5          HD23      LEU   5   4.372  -7.575  -0.094
   46    H    THR   6           HN       THR   6   5.521  -9.983  -0.424
   47    HA   THR   6           HA       THR   6   5.036  -9.613  -3.257
   48    HB   THR   6           HB       THR   6   3.921 -11.898  -2.950
   49    HG1  THR   6           HG1      THR   6   3.795 -12.537  -0.969
   50   HG21  THR   6          HG21      THR   6   6.087 -13.076  -2.975
   51   HG22  THR   6          HG22      THR   6   6.886 -11.621  -2.372
   52   HG23  THR   6          HG23      THR   6   6.146 -11.624  -3.973
   53    H    THR   7           HN       THR   7   2.710 -10.189  -3.915
   54    HA   THR   7           HA       THR   7   1.023  -8.265  -2.934
   55    HB   THR   7           HB       THR   7  -0.837  -9.654  -4.113
   56    HG1  THR   7           HG1      THR   7   1.173 -11.414  -4.256
   57   HG21  THR   7          HG21      THR   7   1.548  -8.511  -5.562
   58   HG22  THR   7          HG22      THR   7   0.139  -7.615  -4.984
   59   HG23  THR   7          HG23      THR   7  -0.038  -8.796  -6.278
   60    H    ASP   8           HN       ASP   8   1.123 -11.598  -1.863
   61    HA   ASP   8           HA       ASP   8  -1.224 -11.545  -0.303
   62    HB2  ASP   8           HB2      ASP   8  -0.262 -13.461   0.973
   63    HB3  ASP   8           HB1      ASP   8  -0.137 -13.677  -0.764
   64    H    ASP   9           HN       ASP   9   2.056 -10.609   0.498
   65    HA   ASP   9           HA       ASP   9   1.591 -10.052   3.260
   66    HB2  ASP   9           HB2      ASP   9   3.864 -10.460   2.138
   67    HB3  ASP   9           HB1      ASP   9   3.730  -8.835   1.496
   68    H    LEU  10           HN       LEU  10   1.674  -8.179   0.303
   69    HA   LEU  10           HA       LEU  10   1.363  -5.603   1.412
   70    HB2  LEU  10           HB2      LEU  10   2.181  -6.113  -0.896
   71    HB3  LEU  10           HB1      LEU  10   0.538  -6.530  -1.340
   72    HG   LEU  10           HG       LEU  10  -0.132  -4.183  -0.795
   73   HD11  LEU  10          HD11      LEU  10   1.676  -3.611   0.718
   74   HD12  LEU  10          HD12      LEU  10   1.615  -2.480  -0.633
   75   HD13  LEU  10          HD13      LEU  10   2.843  -3.742  -0.598
   76   HD21  LEU  10          HD21      LEU  10   0.278  -4.878  -3.089
   77   HD22  LEU  10          HD22      LEU  10   1.996  -4.524  -2.908
   78   HD23  LEU  10          HD23      LEU  10   0.814  -3.216  -2.837
   79    H    ARG  11           HN       ARG  11  -0.959  -7.873   0.010
   80    HA   ARG  11           HA       ARG  11  -3.280  -6.411   0.169
   81    HB2  ARG  11           HB2      ARG  11  -3.099  -8.619  -0.893
   82    HB3  ARG  11           HB1      ARG  11  -2.913  -9.352   0.687
   83    HG2  ARG  11           HG2      ARG  11  -5.148  -8.810   1.295
   84    HG3  ARG  11           HG1      ARG  11  -5.360  -7.832  -0.164
   85    HD2  ARG  11           HD2      ARG  11  -6.391 -10.041  -0.376
   86    HD3  ARG  11           HD1      ARG  11  -5.105  -9.785  -1.550
   87    HE   ARG  11           HE       ARG  11  -4.486 -11.184   0.934
   88   HH11  ARG  11          HH11      ARG  11  -4.918 -11.300  -2.602
   89   HH12  ARG  11          HH12      ARG  11  -4.312 -12.888  -2.749
   90   HH21  ARG  11          HH21      ARG  11  -3.599 -13.362   0.692
   91   HH22  ARG  11          HH22      ARG  11  -3.639 -14.105  -0.840
   92    H    ARG  12           HN       ARG  12  -1.851  -8.489   2.618
   93    HA   ARG  12           HA       ARG  12  -3.735  -8.112   4.631
   94    HB2  ARG  12           HB2      ARG  12  -0.840  -8.811   4.677
   95    HB3  ARG  12           HB1      ARG  12  -1.764  -8.630   6.160
   96    HG2  ARG  12           HG2      ARG  12  -3.251 -10.397   5.502
   97    HG3  ARG  12           HG1      ARG  12  -2.441 -10.529   3.933
   98    HD2  ARG  12           HD2      ARG  12  -1.751 -12.212   5.671
   99    HD3  ARG  12           HD1      ARG  12  -0.444 -11.292   4.922
  100    HE   ARG  12           HE       ARG  12  -1.570 -10.458   7.495
  101   HH11  ARG  12          HH11      ARG  12   1.094 -11.747   5.608
  102   HH12  ARG  12          HH12      ARG  12   2.338 -11.275   6.666
  103   HH21  ARG  12          HH21      ARG  12   0.141  -9.793   9.078
  104   HH22  ARG  12          HH22      ARG  12   1.771 -10.145   8.695
  105    H    ALA  13           HN       ALA  13  -0.774  -6.309   3.936
  106    HA   ALA  13           HA       ALA  13  -0.865  -4.658   6.202
  107    HB1  ALA  13           HB1      ALA  13   0.335  -4.037   3.496
  108    HB2  ALA  13           HB2      ALA  13   1.143  -4.894   4.809
  109    HB3  ALA  13           HB3      ALA  13   0.698  -3.200   5.007
  110    H    LEU  14           HN       LEU  14  -2.141  -4.120   2.883
  111    HA   LEU  14           HA       LEU  14  -3.279  -1.651   3.406
  112    HB2  LEU  14           HB2      LEU  14  -3.661  -3.810   1.391
  113    HB3  LEU  14           HB1      LEU  14  -4.761  -2.457   1.431
  114    HG   LEU  14           HG       LEU  14  -2.973  -2.377  -0.234
  115   HD11  LEU  14          HD11      LEU  14  -2.979  -0.130   1.802
  116   HD12  LEU  14          HD12      LEU  14  -4.122  -0.323   0.473
  117   HD13  LEU  14          HD13      LEU  14  -2.429   0.039   0.135
  118   HD21  LEU  14          HD21      LEU  14  -0.712  -1.612   0.415
  119   HD22  LEU  14          HD22      LEU  14  -1.085  -3.240   0.982
  120   HD23  LEU  14          HD23      LEU  14  -1.145  -1.879   2.103
  121    H    VAL  15           HN       VAL  15  -4.755  -4.920   3.416
  122    HA   VAL  15           HA       VAL  15  -7.344  -3.882   3.883
  123    HB   VAL  15           HB       VAL  15  -6.771  -6.089   2.744
  124   HG11  VAL  15          HG11      VAL  15  -6.730  -8.117   4.092
  125   HG12  VAL  15          HG12      VAL  15  -6.627  -7.126   5.548
  126   HG13  VAL  15          HG13      VAL  15  -5.333  -7.070   4.349
  127   HG21  VAL  15          HG21      VAL  15  -8.979  -6.109   4.792
  128   HG22  VAL  15          HG22      VAL  15  -8.857  -7.203   3.414
  129   HG23  VAL  15          HG23      VAL  15  -9.070  -5.472   3.150
  130    H    GLU  16           HN       GLU  16  -4.858  -4.745   6.153
  131    HA   GLU  16           HA       GLU  16  -6.751  -4.841   8.340
  132    HB2  GLU  16           HB2      GLU  16  -3.736  -4.727   8.421
  133    HB3  GLU  16           HB1      GLU  16  -4.782  -4.979   9.811
  134    HG2  GLU  16           HG2      GLU  16  -5.612  -7.045   8.746
  135    HG3  GLU  16           HG1      GLU  16  -4.434  -6.800   7.456
  136    H    SER  17           HN       SER  17  -4.939  -2.486   6.695
  137    HA   SER  17           HA       SER  17  -5.173  -0.535   8.797
  138    HB2  SER  17           HB2      SER  17  -4.327  -0.241   5.897
  139    HB3  SER  17           HB1      SER  17  -4.125   0.979   7.162
  140    HG   SER  17           HG       SER  17  -2.715  -1.339   6.657
  141    H    ALA  18           HN       ALA  18  -6.688  -1.351   5.723
  142    HA   ALA  18           HA       ALA  18  -9.203  -0.320   6.556
  143    HB1  ALA  18           HB1      ALA  18  -9.486   1.186   4.651
  144    HB2  ALA  18           HB2      ALA  18  -7.823   0.854   4.165
  145    HB3  ALA  18           HB3      ALA  18  -8.139   1.726   5.671
  146    H    GLY  19           HN       GLY  19 -10.410  -1.963   6.004
  147    HA2  GLY  19           HA2      GLY  19  -9.853  -3.313   3.434
  148    HA3  GLY  19           HA1      GLY  19 -10.328  -4.200   4.881
  149    H    GLU  20           HN       GLU  20 -12.293  -2.627   5.873
  150    HA   GLU  20           HA       GLU  20 -14.329  -3.060   3.862
  151    HB2  GLU  20           HB2      GLU  20 -14.651  -2.379   6.803
  152    HB3  GLU  20           HB1      GLU  20 -15.963  -2.720   5.694
  153    HG2  GLU  20           HG2      GLU  20 -15.636  -4.658   7.024
  154    HG3  GLU  20           HG1      GLU  20 -15.024  -5.033   5.423
  155    H    THR  21           HN       THR  21 -13.600  -1.330   2.601
  156    HA   THR  21           HA       THR  21 -14.089   1.335   3.662
  157    HB   THR  21           HB       THR  21 -12.871   1.988   1.528
  158    HG1  THR  21           HG1      THR  21 -11.685   0.133   0.576
  159   HG21  THR  21          HG21      THR  21 -10.659   1.320   2.383
  160   HG22  THR  21          HG22      THR  21 -11.424   0.118   3.423
  161   HG23  THR  21          HG23      THR  21 -11.710   1.836   3.703
  162    H    ASP  22           HN       ASP  22 -14.161   1.055   0.322
  163    HA   ASP  22           HA       ASP  22 -17.030   1.612   0.186
  164    HB2  ASP  22           HB2      ASP  22 -14.798   1.714  -1.834
  165    HB3  ASP  22           HB1      ASP  22 -16.481   1.936  -2.277
  166    H    GLY  23           HN       GLY  23 -14.710  -0.808  -0.387
  167    HA2  GLY  23           HA2      GLY  23 -16.631  -2.831  -0.685
  168    HA3  GLY  23           HA1      GLY  23 -15.848  -2.459  -2.226
  169    H    THR  24           HN       THR  24 -15.692  -4.607  -0.003
  170    HA   THR  24           HA       THR  24 -12.864  -4.464   0.562
  171    HB   THR  24           HB       THR  24 -14.319  -5.255   2.381
  172    HG1  THR  24           HG1      THR  24 -12.509  -7.141   1.319
  173   HG21  THR  24          HG21      THR  24 -16.064  -6.367   1.057
  174   HG22  THR  24          HG22      THR  24 -15.414  -7.457   2.286
  175   HG23  THR  24          HG23      THR  24 -14.920  -7.630   0.604
  176    H    ASP  25           HN       ASP  25 -13.480  -4.606  -2.129
  177    HA   ASP  25           HA       ASP  25 -13.070  -7.240  -3.186
  178    HB2  ASP  25           HB2      ASP  25 -14.214  -5.434  -4.455
  179    HB3  ASP  25           HB1      ASP  25 -12.701  -4.540  -4.519
  180    H    LEU  26           HN       LEU  26 -11.194  -4.990  -1.722
  181    HA   LEU  26           HA       LEU  26  -8.596  -5.259  -2.720
  182    HB2  LEU  26           HB2      LEU  26  -9.293  -3.601  -1.064
  183    HB3  LEU  26           HB1      LEU  26  -9.616  -4.862   0.097
  184    HG   LEU  26           HG       LEU  26  -7.199  -5.351   0.223
  185   HD11  LEU  26          HD11      LEU  26  -6.922  -2.977  -1.607
  186   HD12  LEU  26          HD12      LEU  26  -6.556  -4.651  -2.018
  187   HD13  LEU  26          HD13      LEU  26  -5.603  -3.815  -0.790
  188   HD21  LEU  26          HD21      LEU  26  -6.573  -3.305   1.397
  189   HD22  LEU  26          HD22      LEU  26  -8.223  -3.795   1.779
  190   HD23  LEU  26          HD23      LEU  26  -7.937  -2.466   0.658
  191    H    SER  27           HN       SER  27 -10.603  -7.439  -0.875
  192    HA   SER  27           HA       SER  27  -8.483  -9.208  -0.140
  193    HB2  SER  27           HB2      SER  27 -11.466  -9.682  -0.235
  194    HB3  SER  27           HB1      SER  27 -10.278 -10.625   0.672
  195    HG   SER  27           HG       SER  27  -9.787  -8.528   1.724
  196    H    GLY  28           HN       GLY  28  -7.467  -9.643  -2.059
  197    HA2  GLY  28           HA2      GLY  28  -7.809 -11.846  -3.492
  198    HA3  GLY  28           HA1      GLY  28  -8.875 -10.717  -4.345
  199    H    ASP  29           HN       ASP  29  -7.850  -9.904  -6.093
  200    HA   ASP  29           HA       ASP  29  -5.080  -9.040  -5.641
  201    HB2  ASP  29           HB2      ASP  29  -5.492 -10.647  -7.605
  202    HB3  ASP  29           HB1      ASP  29  -6.364  -9.314  -8.369
  203    H    PHE  30           HN       PHE  30  -4.553  -6.980  -6.208
  204    HA   PHE  30           HA       PHE  30  -6.793  -5.170  -6.695
  205    HB2  PHE  30           HB2      PHE  30  -6.084  -3.774  -4.755
  206    HB3  PHE  30           HB1      PHE  30  -6.735  -5.346  -4.312
  207    HD1  PHE  30           HD1      PHE  30  -5.001  -7.214  -3.846
  208    HD2  PHE  30           HD2      PHE  30  -4.023  -3.081  -3.893
  209    HE1  PHE  30           HE1      PHE  30  -2.990  -7.664  -2.507
  210    HE2  PHE  30           HE2      PHE  30  -2.029  -3.527  -2.551
  211    HZ   PHE  30           HZ       PHE  30  -1.476  -5.838  -1.911
  212    H    LEU  31           HN       LEU  31  -3.762  -6.054  -7.634
  213    HA   LEU  31           HA       LEU  31  -2.308  -3.656  -7.623
  214    HB2  LEU  31           HB2      LEU  31  -2.072  -5.989  -9.487
  215    HB3  LEU  31           HB1      LEU  31  -0.974  -4.632  -9.466
  216    HG   LEU  31           HG       LEU  31  -1.351  -6.748  -7.371
  217   HD11  LEU  31          HD11      LEU  31   0.086  -7.307  -9.215
  218   HD12  LEU  31          HD12      LEU  31   1.073  -7.038  -7.769
  219   HD13  LEU  31          HD13      LEU  31   0.954  -5.791  -9.021
  220   HD21  LEU  31          HD21      LEU  31   0.255  -4.193  -7.142
  221   HD22  LEU  31          HD22      LEU  31   0.283  -5.529  -5.993
  222   HD23  LEU  31          HD23      LEU  31  -1.192  -4.587  -6.215
  223    H    ASP  32           HN       ASP  32  -4.787  -4.731  -9.745
  224    HA   ASP  32           HA       ASP  32  -4.134  -2.720 -11.755
  225    HB2  ASP  32           HB2      ASP  32  -5.909  -3.762 -13.088
  226    HB3  ASP  32           HB1      ASP  32  -4.727  -4.945 -12.549
  227    H    LEU  33           HN       LEU  33  -5.850  -2.864  -8.986
  228    HA   LEU  33           HA       LEU  33  -7.992  -1.147  -9.888
  229    HB2  LEU  33           HB2      LEU  33  -7.258  -2.209  -7.159
  230    HB3  LEU  33           HB1      LEU  33  -8.672  -1.231  -7.506
  231    HG   LEU  33           HG       LEU  33  -8.153  -3.982  -8.640
  232   HD11  LEU  33          HD11      LEU  33 -10.022  -3.079  -6.464
  233   HD12  LEU  33          HD12      LEU  33  -8.572  -4.063  -6.253
  234   HD13  LEU  33          HD13      LEU  33  -9.949  -4.699  -7.153
  235   HD21  LEU  33          HD21      LEU  33  -9.495  -2.578 -10.120
  236   HD22  LEU  33          HD22      LEU  33 -10.578  -2.190  -8.785
  237   HD23  LEU  33          HD23      LEU  33 -10.482  -3.844  -9.392
  238    H    ARG  34           HN       ARG  34  -8.042   1.014  -9.447
  239    HA   ARG  34           HA       ARG  34  -5.539   2.258  -8.665
  240    HB2  ARG  34           HB2      ARG  34  -8.238   3.626  -8.944
  241    HB3  ARG  34           HB1      ARG  34  -6.649   4.340  -9.138
  242    HG2  ARG  34           HG2      ARG  34  -7.991   2.425 -11.054
  243    HG3  ARG  34           HG1      ARG  34  -7.812   4.161 -11.269
  244    HD2  ARG  34           HD2      ARG  34  -5.547   2.163 -11.119
  245    HD3  ARG  34           HD1      ARG  34  -6.200   2.853 -12.602
  246    HE   ARG  34           HE       ARG  34  -5.321   4.845 -10.735
  247   HH11  ARG  34          HH11      ARG  34  -4.110   2.672 -13.305
  248   HH12  ARG  34          HH12      ARG  34  -2.735   3.633 -13.618
  249   HH21  ARG  34          HH21      ARG  34  -3.560   6.074 -11.177
  250   HH22  ARG  34          HH22      ARG  34  -2.356   5.628 -12.321
  251    H    PHE  35           HN       PHE  35  -5.544   3.654  -6.645
  252    HA   PHE  35           HA       PHE  35  -6.602   2.277  -4.489
  253    HB2  PHE  35           HB2      PHE  35  -5.558   5.091  -4.607
  254    HB3  PHE  35           HB1      PHE  35  -6.201   4.418  -3.109
  255    HD1  PHE  35           HD1      PHE  35  -5.216   2.055  -2.462
  256    HD2  PHE  35           HD2      PHE  35  -3.330   4.833  -5.058
  257    HE1  PHE  35           HE1      PHE  35  -3.042   1.007  -2.000
  258    HE2  PHE  35           HE2      PHE  35  -1.154   3.789  -4.609
  259    HZ   PHE  35           HZ       PHE  35  -1.064   1.733  -3.126
  260    H    GLU  36           HN       GLU  36  -8.132   4.859  -6.235
  261    HA   GLU  36           HA       GLU  36 -10.369   5.201  -4.624
  262    HB2  GLU  36           HB2      GLU  36 -11.594   5.938  -6.599
  263    HB3  GLU  36           HB1      GLU  36  -9.984   6.632  -6.544
  264    HG2  GLU  36           HG2      GLU  36  -9.224   5.273  -8.303
  265    HG3  GLU  36           HG1      GLU  36 -10.614   4.196  -8.172
  266    H    ASP  37           HN       ASP  37  -9.575   2.428  -6.602
  267    HA   ASP  37           HA       ASP  37 -12.330   1.546  -6.805
  268    HB2  ASP  37           HB2      ASP  37  -9.789   0.076  -7.558
  269    HB3  ASP  37           HB1      ASP  37 -11.416  -0.498  -7.870
  270    H    ILE  38           HN       ILE  38  -9.636   1.080  -4.737
  271    HA   ILE  38           HA       ILE  38 -11.108  -1.049  -3.392
  272    HB   ILE  38           HB       ILE  38  -9.096  -1.323  -1.920
  273   HG12  ILE  38          HG12      ILE  38  -7.800   0.585  -3.891
  274   HG13  ILE  38          HG11      ILE  38  -8.124   0.919  -2.197
  275   HG21  ILE  38          HG21      ILE  38  -7.735  -2.477  -3.582
  276   HG22  ILE  38          HG22      ILE  38  -8.640  -1.679  -4.870
  277   HG23  ILE  38          HG23      ILE  38  -9.456  -2.801  -3.779
  278   HD11  ILE  38          HD11      ILE  38  -6.550  -0.839  -1.552
  279   HD12  ILE  38          HD12      ILE  38  -5.784   0.388  -2.561
  280   HD13  ILE  38          HD13      ILE  38  -6.234  -1.171  -3.254
  281    H    GLY  39           HN       GLY  39 -11.569   1.901  -3.510
  282    HA2  GLY  39           HA2      GLY  39 -12.486   3.508  -2.193
  283    HA3  GLY  39           HA1      GLY  39 -12.855   2.209  -1.068
  284    H    TYR  40           HN       TYR  40  -9.685   3.353  -2.114
  285    HA   TYR  40           HA       TYR  40  -9.051   3.564   0.696
  286    HB2  TYR  40           HB2      TYR  40  -7.631   2.517  -1.488
  287    HB3  TYR  40           HB1      TYR  40  -6.768   3.970  -0.991
  288    HD1  TYR  40           HD1      TYR  40  -8.092   0.745   0.217
  289    HD2  TYR  40           HD2      TYR  40  -5.531   4.041   0.989
  290    HE1  TYR  40           HE1      TYR  40  -7.052  -0.498   2.052
  291    HE2  TYR  40           HE2      TYR  40  -4.492   2.817   2.834
  292    HH   TYR  40           HH       TYR  40  -4.839   0.957   4.265
  293    H    ASP  41           HN       ASP  41  -8.878   5.311   1.675
  294    HA   ASP  41           HA       ASP  41  -9.033   7.883   0.349
  295    HB2  ASP  41           HB2      ASP  41  -8.752   7.134   3.279
  296    HB3  ASP  41           HB1      ASP  41  -8.895   8.778   2.691
  297    H    SER  42           HN       SER  42  -7.363   9.323   0.207
  298    HA   SER  42           HA       SER  42  -4.753   8.529   0.142
  299    HB2  SER  42           HB2      SER  42  -4.584  11.220   0.691
  300    HB3  SER  42           HB1      SER  42  -4.836  10.504  -0.903
  301    H    LEU  43           HN       LEU  43  -6.483   9.900   2.887
  302    HA   LEU  43           HA       LEU  43  -4.297  10.130   4.632
  303    HB2  LEU  43           HB2      LEU  43  -6.591  11.130   4.940
  304    HB3  LEU  43           HB1      LEU  43  -7.184   9.543   5.351
  305    HG   LEU  43           HG       LEU  43  -6.837  11.096   7.290
  306   HD11  LEU  43          HD11      LEU  43  -5.203   8.573   7.395
  307   HD12  LEU  43          HD12      LEU  43  -6.932   8.714   7.707
  308   HD13  LEU  43          HD13      LEU  43  -5.775   9.491   8.790
  309   HD21  LEU  43          HD21      LEU  43  -3.921  10.715   6.642
  310   HD22  LEU  43          HD22      LEU  43  -4.556  11.477   8.102
  311   HD23  LEU  43          HD23      LEU  43  -4.836  12.218   6.528
  312    H    ALA  44           HN       ALA  44  -6.621   7.466   4.183
  313    HA   ALA  44           HA       ALA  44  -5.456   5.751   6.095
  314    HB1  ALA  44           HB1      ALA  44  -7.745   5.457   5.259
  315    HB2  ALA  44           HB2      ALA  44  -6.795   3.987   5.060
  316    HB3  ALA  44           HB3      ALA  44  -7.108   5.031   3.671
  317    H    LEU  45           HN       LEU  45  -4.756   6.418   2.785
  318    HA   LEU  45           HA       LEU  45  -3.122   4.186   2.276
  319    HB2  LEU  45           HB2      LEU  45  -4.121   5.498   0.493
  320    HB3  LEU  45           HB1      LEU  45  -3.185   6.897   0.968
  321    HG   LEU  45           HG       LEU  45  -1.130   5.809   0.256
  322   HD11  LEU  45          HD11      LEU  45  -1.736   3.504   0.814
  323   HD12  LEU  45          HD12      LEU  45  -1.199   3.630  -0.863
  324   HD13  LEU  45          HD13      LEU  45  -2.919   3.496  -0.494
  325   HD21  LEU  45          HD21      LEU  45  -2.481   7.066  -1.373
  326   HD22  LEU  45          HD22      LEU  45  -3.302   5.574  -1.823
  327   HD23  LEU  45          HD23      LEU  45  -1.574   5.756  -2.126
  328    H    MET  46           HN       MET  46  -2.349   7.494   3.371
  329    HA   MET  46           HA       MET  46   0.439   6.944   3.442
  330    HB2  MET  46           HB2      MET  46   0.764   9.039   4.658
  331    HB3  MET  46           HB1      MET  46  -0.341   9.283   3.320
  332    HG2  MET  46           HG2      MET  46  -2.218   9.288   4.859
  333    HG3  MET  46           HG1      MET  46  -1.133   8.971   6.207
  334    HE1  MET  46           HE1      MET  46   1.377  10.822   5.429
  335    HE2  MET  46           HE2      MET  46   0.714  10.714   7.058
  336    HE3  MET  46           HE3      MET  46   0.974  12.293   6.314
  337    H    GLU  47           HN       GLU  47  -2.120   6.482   5.743
  338    HA   GLU  47           HA       GLU  47  -0.597   5.902   8.039
  339    HB2  GLU  47           HB2      GLU  47  -3.200   4.685   7.099
  340    HB3  GLU  47           HB1      GLU  47  -2.537   4.501   8.713
  341    HG2  GLU  47           HG2      GLU  47  -3.338   7.112   7.460
  342    HG3  GLU  47           HG1      GLU  47  -4.333   6.170   8.568
  343    H    THR  48           HN       THR  48  -1.710   3.865   5.394
  344    HA   THR  48           HA       THR  48  -0.604   1.424   6.199
  345    HB   THR  48           HB       THR  48  -1.083   2.426   3.376
  346    HG1  THR  48           HG1      THR  48  -3.048   2.612   4.424
  347   HG21  THR  48          HG21      THR  48  -1.064  -0.365   4.551
  348   HG22  THR  48          HG22      THR  48   0.190   0.320   3.520
  349   HG23  THR  48          HG23      THR  48  -1.428   0.044   2.874
  350    H    ALA  49           HN       ALA  49   0.635   3.986   4.063
  351    HA   ALA  49           HA       ALA  49   3.083   2.879   3.348
  352    HB1  ALA  49           HB1      ALA  49   2.146   4.906   2.324
  353    HB2  ALA  49           HB2      ALA  49   3.800   5.167   2.876
  354    HB3  ALA  49           HB3      ALA  49   2.446   5.796   3.818
  355    H    ALA  50           HN       ALA  50   2.310   4.987   6.096
  356    HA   ALA  50           HA       ALA  50   4.833   5.162   7.264
  357    HB1  ALA  50           HB1      ALA  50   3.651   5.807   9.294
  358    HB2  ALA  50           HB2      ALA  50   2.141   5.186   8.622
  359    HB3  ALA  50           HB3      ALA  50   2.935   6.574   7.877
  360    H    ARG  51           HN       ARG  51   2.357   2.744   7.575
  361    HA   ARG  51           HA       ARG  51   3.437   1.256   9.705
  362    HB2  ARG  51           HB2      ARG  51   1.149   0.953   9.003
  363    HB3  ARG  51           HB1      ARG  51   1.660   0.438   7.406
  364    HG2  ARG  51           HG2      ARG  51   2.610  -1.586   8.343
  365    HG3  ARG  51           HG1      ARG  51   2.174  -1.054   9.968
  366    HD2  ARG  51           HD2      ARG  51  -0.171  -1.070   9.374
  367    HD3  ARG  51           HD1      ARG  51   0.231  -1.522   7.720
  368    HE   ARG  51           HE       ARG  51   1.346  -3.494   9.071
  369   HH11  ARG  51          HH11      ARG  51  -1.812  -2.022   9.749
  370   HH12  ARG  51          HH12      ARG  51  -2.580  -3.517  10.066
  371   HH21  ARG  51          HH21      ARG  51   0.227  -5.554   9.428
  372   HH22  ARG  51          HH22      ARG  51  -1.429  -5.578   9.739
  373    H    LEU  52           HN       LEU  52   3.807   0.948   6.200
  374    HA   LEU  52           HA       LEU  52   5.540  -1.286   6.364
  375    HB2  LEU  52           HB2      LEU  52   5.081   0.672   4.117
  376    HB3  LEU  52           HB1      LEU  52   6.089  -0.760   3.975
  377    HG   LEU  52           HG       LEU  52   3.137  -0.772   4.591
  378   HD11  LEU  52          HD11      LEU  52   4.600  -1.479   2.056
  379   HD12  LEU  52          HD12      LEU  52   3.577  -0.065   2.308
  380   HD13  LEU  52          HD13      LEU  52   2.871  -1.680   2.343
  381   HD21  LEU  52          HD21      LEU  52   4.315  -2.662   5.583
  382   HD22  LEU  52          HD22      LEU  52   5.038  -3.041   4.020
  383   HD23  LEU  52          HD23      LEU  52   3.293  -3.185   4.244
  384    H    GLU  53           HN       GLU  53   6.098   2.186   6.214
  385    HA   GLU  53           HA       GLU  53   8.880   2.148   6.003
  386    HB2  GLU  53           HB2      GLU  53   7.085   4.090   7.455
  387    HB3  GLU  53           HB1      GLU  53   8.818   4.320   7.295
  388    HG2  GLU  53           HG2      GLU  53   8.582   4.322   4.881
  389    HG3  GLU  53           HG1      GLU  53   6.839   4.160   5.033
  390    H    SER  54           HN       SER  54   6.876   2.156   8.891
  391    HA   SER  54           HA       SER  54   8.969   2.015  10.729
  392    HB2  SER  54           HB2      SER  54   6.110   1.102  11.039
  393    HB3  SER  54           HB1      SER  54   7.229   1.492  12.350
  394    HG   SER  54           HG       SER  54   5.887   3.187  10.577
  395    H    ARG  55           HN       ARG  55   7.076  -0.573   9.178
  396    HA   ARG  55           HA       ARG  55   8.084  -2.690  10.745
  397    HB2  ARG  55           HB2      ARG  55   6.062  -2.903   9.313
  398    HB3  ARG  55           HB1      ARG  55   7.090  -2.846   7.885
  399    HG2  ARG  55           HG2      ARG  55   8.307  -4.857   8.949
  400    HG3  ARG  55           HG1      ARG  55   6.875  -4.995   9.961
  401    HD2  ARG  55           HD2      ARG  55   6.876  -5.016   6.949
  402    HD3  ARG  55           HD1      ARG  55   6.864  -6.451   7.959
  403    HE   ARG  55           HE       ARG  55   4.674  -4.942   8.719
  404   HH11  ARG  55          HH11      ARG  55   5.802  -6.383   5.656
  405   HH12  ARG  55          HH12      ARG  55   4.287  -6.865   5.145
  406   HH21  ARG  55          HH21      ARG  55   2.555  -5.636   8.002
  407   HH22  ARG  55          HH22      ARG  55   2.397  -6.427   6.490
  408    H    TYR  56           HN       TYR  56   9.243  -1.285   7.705
  409    HA   TYR  56           HA       TYR  56  11.370  -3.315   7.640
  410    HB2  TYR  56           HB2      TYR  56  10.409  -1.471   5.472
  411    HB3  TYR  56           HB1      TYR  56  11.724  -2.627   5.304
  412    HD1  TYR  56           HD2      TYR  56  11.133  -5.095   5.850
  413    HD2  TYR  56           HD1      TYR  56   8.258  -2.108   4.919
  414    HE1  TYR  56           HE2      TYR  56   9.533  -6.841   5.228
  415    HE2  TYR  56           HE1      TYR  56   6.642  -3.834   4.305
  416    HH   TYR  56           HH       TYR  56   6.728  -6.263   3.535
  417    H    GLY  57           HN       GLY  57  11.032  -0.247   8.748
  418    HA2  GLY  57           HA2      GLY  57  12.551   1.343   9.376
  419    HA3  GLY  57           HA1      GLY  57  13.824   0.197   8.964
  420    H    VAL  58           HN       VAL  58  11.349   1.332   6.802
  421    HA   VAL  58           HA       VAL  58  13.469   2.467   5.122
  422    HB   VAL  58           HB       VAL  58  12.022   2.173   3.158
  423   HG11  VAL  58          HG11      VAL  58  12.038  -0.247   2.998
  424   HG12  VAL  58          HG12      VAL  58  12.300  -0.355   4.739
  425   HG13  VAL  58          HG13      VAL  58  13.535   0.374   3.702
  426   HG21  VAL  58          HG21      VAL  58   9.836   2.385   4.215
  427   HG22  VAL  58          HG22      VAL  58  10.068   0.844   5.044
  428   HG23  VAL  58          HG23      VAL  58   9.928   0.889   3.285
  429    H    SER  59           HN       SER  59  12.588   4.229   3.624
  430    HA   SER  59           HA       SER  59  10.552   5.800   4.973
  431    HB2  SER  59           HB2      SER  59  13.244   6.858   4.049
  432    HB3  SER  59           HB1      SER  59  11.898   7.868   4.574
  433    HG   SER  59           HG       SER  59  13.460   6.052   6.056
  434    H    ILE  60           HN       ILE  60   9.089   6.452   3.667
  435    HA   ILE  60           HA       ILE  60   9.446   5.969   0.817
  436    HB   ILE  60           HB       ILE  60   6.914   6.486   2.418
  437   HG12  ILE  60          HG12      ILE  60   7.970   3.970   1.099
  438   HG13  ILE  60          HG11      ILE  60   7.968   4.297   2.825
  439   HG21  ILE  60          HG21      ILE  60   5.685   5.909   0.368
  440   HG22  ILE  60          HG22      ILE  60   7.209   5.806  -0.516
  441   HG23  ILE  60          HG23      ILE  60   6.676   7.353   0.140
  442   HD11  ILE  60          HD11      ILE  60   6.169   2.789   2.205
  443   HD12  ILE  60          HD12      ILE  60   5.533   3.990   1.080
  444   HD13  ILE  60          HD13      ILE  60   5.523   4.311   2.814
  445    HA   PRO  61           HA       PRO  61  10.178  10.299   0.205
  446    HB2  PRO  61           HB2      PRO  61   9.487   9.545  -2.582
  447    HB3  PRO  61           HB1      PRO  61  10.916  10.379  -1.963
  448    HG2  PRO  61           HG2      PRO  61  11.075   7.845  -2.736
  449    HG3  PRO  61           HG1      PRO  61  11.936   8.402  -1.284
  450    HD2  PRO  61           HD2      PRO  61   9.382   6.864  -1.503
  451    HD3  PRO  61           HD1      PRO  61  10.731   6.655  -0.366
  452    H    ASP  62           HN       ASP  62   8.944  12.016   0.105
  453    HA   ASP  62           HA       ASP  62   6.188  11.976   0.467
  454    HB2  ASP  62           HB2      ASP  62   7.594  13.818   1.196
  455    HB3  ASP  62           HB1      ASP  62   7.966  14.228  -0.474
  456    H    ASP  63           HN       ASP  63   8.083  12.585  -2.448
  457    HA   ASP  63           HA       ASP  63   5.869  13.317  -4.081
  458    HB2  ASP  63           HB2      ASP  63   8.100  13.992  -4.726
  459    HB3  ASP  63           HB1      ASP  63   8.625  12.314  -4.816
  460    H    VAL  64           HN       VAL  64   7.394  10.293  -3.281
  461    HA   VAL  64           HA       VAL  64   6.128   8.892  -5.408
  462    HB   VAL  64           HB       VAL  64   7.517   7.733  -2.978
  463   HG11  VAL  64          HG11      VAL  64   5.962   6.150  -4.019
  464   HG12  VAL  64          HG12      VAL  64   7.635   5.673  -4.307
  465   HG13  VAL  64          HG13      VAL  64   6.705   6.447  -5.590
  466   HG21  VAL  64          HG21      VAL  64   8.497   8.201  -5.790
  467   HG22  VAL  64          HG22      VAL  64   9.394   7.379  -4.513
  468   HG23  VAL  64          HG23      VAL  64   9.001   9.091  -4.354
  469    H    ALA  65           HN       ALA  65   5.550   9.340  -1.990
  470    HA   ALA  65           HA       ALA  65   3.523   7.451  -1.630
  471    HB1  ALA  65           HB1      ALA  65   4.704   8.564   0.205
  472    HB2  ALA  65           HB2      ALA  65   2.953   8.682   0.381
  473    HB3  ALA  65           HB3      ALA  65   3.877  10.072  -0.186
  474    H    GLY  66           HN       GLY  66   3.385  10.584  -3.153
  475    HA2  GLY  66           HA2      GLY  66   0.456  10.475  -3.101
  476    HA3  GLY  66           HA1      GLY  66   1.418  11.888  -3.502
  477    H    ARG  67           HN       ARG  67   2.957   9.562  -5.144
  478    HA   ARG  67           HA       ARG  67   1.422  10.218  -7.560
  479    HB2  ARG  67           HB2      ARG  67   3.401   9.656  -8.848
  480    HB3  ARG  67           HB1      ARG  67   3.836  10.782  -7.572
  481    HG2  ARG  67           HG2      ARG  67   4.584   8.832  -6.230
  482    HG3  ARG  67           HG1      ARG  67   4.326   7.827  -7.646
  483    HD2  ARG  67           HD2      ARG  67   6.151  10.226  -7.609
  484    HD3  ARG  67           HD1      ARG  67   6.694   8.570  -7.363
  485    HE   ARG  67           HE       ARG  67   5.597   8.211  -9.630
  486   HH11  ARG  67          HH11      ARG  67   7.242  11.245  -8.666
  487   HH12  ARG  67          HH12      ARG  67   7.886  11.548 -10.206
  488   HH21  ARG  67          HH21      ARG  67   6.565   8.599 -11.719
  489   HH22  ARG  67          HH22      ARG  67   7.472  10.015 -12.007
  490    H    VAL  68           HN       VAL  68   1.951   7.670  -5.431
  491    HA   VAL  68           HA       VAL  68   1.647   5.604  -7.409
  492    HB   VAL  68           HB       VAL  68   1.625   4.022  -5.439
  493   HG11  VAL  68          HG11      VAL  68   3.975   4.359  -4.831
  494   HG12  VAL  68          HG12      VAL  68   3.917   5.973  -5.540
  495   HG13  VAL  68          HG13      VAL  68   3.698   4.552  -6.562
  496   HG21  VAL  68          HG21      VAL  68   2.251   4.863  -3.226
  497   HG22  VAL  68          HG22      VAL  68   0.690   5.521  -3.722
  498   HG23  VAL  68          HG23      VAL  68   2.142   6.523  -3.809
  499    H    ASP  69           HN       ASP  69  -0.206   5.560  -8.359
  500    HA   ASP  69           HA       ASP  69  -2.591   5.972  -6.730
  501    HB2  ASP  69           HB2      ASP  69  -2.251   7.409  -8.748
  502    HB3  ASP  69           HB1      ASP  69  -2.445   5.964  -9.737
  503    H    THR  70           HN       THR  70  -0.920   3.598  -8.553
  504    HA   THR  70           HA       THR  70  -3.053   1.725  -7.828
  505    HB   THR  70           HB       THR  70  -1.831   0.085  -9.362
  506    HG1  THR  70           HG1      THR  70  -0.386   2.454  -9.963
  507   HG21  THR  70          HG21      THR  70  -2.815   0.972 -11.411
  508   HG22  THR  70          HG22      THR  70  -3.015   2.541 -10.632
  509   HG23  THR  70          HG23      THR  70  -3.906   1.140 -10.036
  510    HA   PRO  71           HA       PRO  71  -0.625   0.226  -4.494
  511    HB2  PRO  71           HB2      PRO  71  -1.559  -2.470  -5.340
  512    HB3  PRO  71           HB1      PRO  71  -1.673  -1.678  -3.762
  513    HG2  PRO  71           HG2      PRO  71  -3.818  -1.885  -5.295
  514    HG3  PRO  71           HG1      PRO  71  -3.501  -0.384  -4.398
  515    HD2  PRO  71           HD2      PRO  71  -3.083  -0.989  -7.293
  516    HD3  PRO  71           HD1      PRO  71  -3.705   0.488  -6.527
  517    H    ARG  72           HN       ARG  72  -0.380  -1.391  -7.600
  518    HA   ARG  72           HA       ARG  72   1.889  -2.942  -7.172
  519    HB2  ARG  72           HB2      ARG  72   2.183  -3.023  -9.573
  520    HB3  ARG  72           HB1      ARG  72   0.476  -3.121  -9.194
  521    HG2  ARG  72           HG2      ARG  72   0.207  -0.766  -9.792
  522    HG3  ARG  72           HG1      ARG  72   1.929  -0.668 -10.167
  523    HD2  ARG  72           HD2      ARG  72   0.773  -0.961 -12.218
  524    HD3  ARG  72           HD1      ARG  72   1.567  -2.488 -11.839
  525    HE   ARG  72           HE       ARG  72  -1.232  -2.093 -11.110
  526   HH11  ARG  72          HH11      ARG  72   1.155  -4.075 -12.797
  527   HH12  ARG  72          HH12      ARG  72  -0.003  -5.015 -13.624
  528   HH21  ARG  72          HH21      ARG  72  -2.805  -3.358 -12.289
  529   HH22  ARG  72          HH22      ARG  72  -2.297  -4.608 -13.327
  530    H    GLU  73           HN       GLU  73   1.643   0.481  -7.951
  531    HA   GLU  73           HA       GLU  73   4.369   0.994  -8.487
  532    HB2  GLU  73           HB2      GLU  73   2.223   2.825  -7.426
  533    HB3  GLU  73           HB1      GLU  73   3.762   3.334  -8.099
  534    HG2  GLU  73           HG2      GLU  73   3.135   2.486 -10.260
  535    HG3  GLU  73           HG1      GLU  73   1.632   1.843  -9.599
  536    H    LEU  74           HN       LEU  74   2.367   1.193  -5.636
  537    HA   LEU  74           HA       LEU  74   4.294   2.287  -3.881
  538    HB2  LEU  74           HB2      LEU  74   1.793   2.321  -3.559
  539    HB3  LEU  74           HB1      LEU  74   1.842   0.611  -3.227
  540    HG   LEU  74           HG       LEU  74   1.542   2.084  -1.226
  541   HD11  LEU  74          HD11      LEU  74   3.111   0.942   0.244
  542   HD12  LEU  74          HD12      LEU  74   4.012   0.374  -1.163
  543   HD13  LEU  74          HD13      LEU  74   2.354  -0.164  -0.904
  544   HD21  LEU  74          HD21      LEU  74   3.487   3.271  -0.320
  545   HD22  LEU  74          HD22      LEU  74   2.976   3.928  -1.875
  546   HD23  LEU  74          HD23      LEU  74   4.394   2.886  -1.784
  547    H    LEU  75           HN       LEU  75   3.210  -0.990  -4.573
  548    HA   LEU  75           HA       LEU  75   4.820  -2.440  -2.836
  549    HB2  LEU  75           HB2      LEU  75   2.997  -3.402  -4.172
  550    HB3  LEU  75           HB1      LEU  75   3.931  -3.159  -5.633
  551    HG   LEU  75           HG       LEU  75   5.594  -4.790  -4.826
  552   HD11  LEU  75          HD11      LEU  75   5.287  -4.470  -2.438
  553   HD12  LEU  75          HD12      LEU  75   5.085  -6.165  -2.878
  554   HD13  LEU  75          HD13      LEU  75   3.671  -5.165  -2.545
  555   HD21  LEU  75          HD21      LEU  75   3.767  -5.540  -6.255
  556   HD22  LEU  75          HD22      LEU  75   2.750  -5.801  -4.838
  557   HD23  LEU  75          HD23      LEU  75   4.192  -6.785  -5.082
  558    H    ASP  76           HN       ASP  76   5.466  -1.339  -6.126
  559    HA   ASP  76           HA       ASP  76   8.034  -2.389  -6.438
  560    HB2  ASP  76           HB2      ASP  76   6.785  -1.484  -8.319
  561    HB3  ASP  76           HB1      ASP  76   6.899   0.137  -7.640
  562    H    LEU  77           HN       LEU  77   7.010   0.708  -5.074
  563    HA   LEU  77           HA       LEU  77   9.572   1.802  -4.708
  564    HB2  LEU  77           HB2      LEU  77   7.413   3.065  -4.588
  565    HB3  LEU  77           HB1      LEU  77   7.058   2.275  -3.076
  566    HG   LEU  77           HG       LEU  77   7.797   4.657  -2.880
  567   HD11  LEU  77          HD11      LEU  77   9.598   2.701  -1.477
  568   HD12  LEU  77          HD12      LEU  77   8.007   3.239  -0.937
  569   HD13  LEU  77          HD13      LEU  77   9.345   4.385  -1.021
  570   HD21  LEU  77          HD21      LEU  77   9.423   4.721  -4.663
  571   HD22  LEU  77          HD22      LEU  77  10.455   3.583  -3.798
  572   HD23  LEU  77          HD23      LEU  77  10.174   5.195  -3.139
  573    H    ILE  78           HN       ILE  78   7.542  -0.202  -2.667
  574    HA   ILE  78           HA       ILE  78   9.238  -0.197  -0.411
  575    HB   ILE  78           HB       ILE  78   7.192  -2.266  -1.282
  576   HG12  ILE  78          HG12      ILE  78   6.199  -0.062  -0.946
  577   HG13  ILE  78          HG11      ILE  78   5.708  -1.154   0.343
  578   HG21  ILE  78          HG21      ILE  78   7.173  -2.993   1.064
  579   HG22  ILE  78          HG22      ILE  78   8.489  -1.874   1.419
  580   HG23  ILE  78          HG23      ILE  78   8.757  -3.228   0.322
  581   HD11  ILE  78          HD11      ILE  78   7.342  -0.121   1.837
  582   HD12  ILE  78          HD12      ILE  78   6.211   1.070   1.196
  583   HD13  ILE  78          HD13      ILE  78   7.844   0.963   0.540
  584    H    ASN  79           HN       ASN  79   8.785  -2.620  -2.989
  585    HA   ASN  79           HA       ASN  79  10.836  -4.298  -2.067
  586    HB2  ASN  79           HB2      ASN  79   9.570  -4.119  -4.802
  587    HB3  ASN  79           HB1      ASN  79  10.821  -5.299  -4.413
  588   HD21  ASN  79          HD21      ASN  79   8.103  -5.885  -5.171
  589   HD22  ASN  79          HD22      ASN  79   7.398  -6.700  -3.817
  590    H    GLY  80           HN       GLY  80  10.968  -1.586  -4.262
  591    HA2  GLY  80           HA2      GLY  80  13.634  -1.950  -5.107
  592    HA3  GLY  80           HA1      GLY  80  12.770  -0.417  -5.065
  593    H    ALA  81           HN       ALA  81  12.239  -0.284  -2.322
  594    HA   ALA  81           HA       ALA  81  14.725   0.747  -1.379
  595    HB1  ALA  81           HB1      ALA  81  12.585   1.825  -0.850
  596    HB2  ALA  81           HB2      ALA  81  13.467   1.386   0.616
  597    HB3  ALA  81           HB3      ALA  81  12.103   0.406   0.082
  598    H    LEU  82           HN       LEU  82  12.857  -2.143  -0.803
  599    HA   LEU  82           HA       LEU  82  14.335  -3.066   1.439
  600    HB2  LEU  82           HB2      LEU  82  12.616  -4.560  -0.531
  601    HB3  LEU  82           HB1      LEU  82  13.310  -5.275   0.904
  602    HG   LEU  82           HG       LEU  82  11.276  -3.059   0.825
  603   HD11  LEU  82          HD11      LEU  82  11.070  -5.941   1.679
  604   HD12  LEU  82          HD12      LEU  82  10.358  -5.230   0.229
  605   HD13  LEU  82          HD13      LEU  82   9.796  -4.730   1.824
  606   HD21  LEU  82          HD21      LEU  82  12.811  -2.797   2.694
  607   HD22  LEU  82          HD22      LEU  82  12.546  -4.478   3.156
  608   HD23  LEU  82          HD23      LEU  82  11.220  -3.318   3.255
  609    H    ALA  83           HN       ALA  83  14.405  -3.921  -2.012
  610    HA   ALA  83           HA       ALA  83  16.505  -5.777  -1.812
  611    HB1  ALA  83           HB1      ALA  83  14.934  -5.717  -3.694
  612    HB2  ALA  83           HB2      ALA  83  16.612  -5.665  -4.235
  613    HB3  ALA  83           HB3      ALA  83  15.642  -4.191  -4.228
  614    H    GLU  84           HN       GLU  84  16.505  -2.356  -1.860
  615    HA   GLU  84           HA       GLU  84  19.102  -1.892  -2.846
  616    HB2  GLU  84           HB2      GLU  84  17.326  -0.141  -2.482
  617    HB3  GLU  84           HB1      GLU  84  17.627  -0.269  -0.757
  618    HG2  GLU  84           HG2      GLU  84  18.771   1.651  -1.648
  619    HG3  GLU  84           HG1      GLU  84  19.948   0.447  -1.127
  620    H    ALA  85           HN       ALA  85  17.846  -2.777   0.309
  621    HA   ALA  85           HA       ALA  85  20.541  -2.788   1.418
  622    HB1  ALA  85           HB1      ALA  85  19.444  -3.135   3.596
  623    HB2  ALA  85           HB2      ALA  85  17.873  -3.191   2.796
  624    HB3  ALA  85           HB3      ALA  85  18.810  -1.699   2.791
  625    H    ALA  86           HN       ALA  86  21.221  -4.522   0.147
  626    HA   ALA  86           HA       ALA  86  20.949  -7.085   1.241
  627    HB1  ALA  86           HB1      ALA  86  19.934  -8.220  -0.708
  628    HB2  ALA  86           HB2      ALA  86  19.609  -6.652  -1.447
  629    HB3  ALA  86           HB3      ALA  86  18.794  -7.108   0.049
  630    H28  SXH  87          H28B      SXH  87  -4.466  11.864   2.056
  631   H28A  SXH  87          H28A      SXH  87  -5.394  12.546   3.386
  632    H30  SXH  87          H30C      SXH  87  -2.538  12.366   3.427
  633   H30A  SXH  87          H30A      SXH  87  -3.545  13.160   4.637
  634   H30B  SXH  87          H30B      SXH  87  -2.167  14.016   3.938
  635    H31  SXH  87          H31A      SXH  87  -3.643  14.270   0.555
  636   H31A  SXH  87          H31C      SXH  87  -2.252  14.743   1.536
  637   H31B  SXH  87          H31B      SXH  87  -2.525  13.044   1.164
  638    H32  SXH  87          H32A      SXH  87  -5.122  15.126   3.930
  639   HO33  SXH  87          H33A      SXH  87  -4.802  16.611   1.816
  640   HN36  SXH  87          H36A      SXH  87  -3.190  15.622   5.161
  641    H37  SXH  87          H37A      SXH  87  -1.305  17.665   4.151
  642   H37A  SXH  87          H37B      SXH  87  -2.442  18.127   5.379
  643    H38  SXH  87          H38A      SXH  87  -0.540  17.666   6.551
  644   H38A  SXH  87          H38B      SXH  87  -1.615  16.274   6.870
  645   HN41  SXH  87          H41A      SXH  87  -0.272  16.140   3.875
  646    H42  SXH  87          H42A      SXH  87   2.373  15.450   4.038
  647   H42A  SXH  87          H42B      SXH  87   1.488  13.963   4.393
  648    H43  SXH  87          H43A      SXH  87   1.157  15.672   1.933
  649   H43A  SXH  87          H43B      SXH  87   0.315  14.150   2.265
  650    H2   SXH  87           H2A      SXH  87   1.693  10.334   2.449
  651    H2A  SXH  87           H2B      SXH  87   2.428  10.965   0.977
  652    H3   SXH  87           H3A      SXH  87   0.491  12.443   0.666
  653    H3A  SXH  87           H3B      SXH  87  -0.256  11.733   2.104
  654    H4   SXH  87           H4B      SXH  87   0.549  10.204  -0.356
  655    H4A  SXH  87           H4A      SXH  87  -0.298   9.566   1.057
  656    H5   SXH  87           H5A      SXH  87  -1.337  11.713  -0.788
  657    H5A  SXH  87           H5B      SXH  87  -2.190  11.016   0.606
  658    H6   SXH  87           H6C      SXH  87  -1.236   9.510  -1.821
  659    H6A  SXH  87           H6A      SXH  87  -2.907  10.004  -1.502
  660    H6B  SXH  87           H6B      SXH  87  -2.112   8.851  -0.430
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  10.211 -16.948   5.322
    2    H2   MET   1           HT2      MET   1  10.738 -16.130   3.946
    3    H3   MET   1           HT3      MET   1   9.136 -16.087   4.344
    4    HA   MET   1           HA       MET   1   9.484 -14.752   6.227
    5    HB2  MET   1           HB2      MET   1  11.728 -15.693   6.847
    6    HB3  MET   1           HB1      MET   1  12.434 -14.865   5.470
    7    HG2  MET   1           HG2      MET   1  11.948 -12.714   6.446
    8    HG3  MET   1           HG1      MET   1  11.062 -13.471   7.763
    9    HE1  MET   1           HE1      MET   1  15.641 -13.838   7.195
   10    HE2  MET   1           HE2      MET   1  14.598 -12.906   6.119
   11    HE3  MET   1           HE3      MET   1  14.469 -14.663   6.167
   12    H    ALA   2           HN       ALA   2   9.406 -12.474   5.925
   13    HA   ALA   2           HA       ALA   2   9.005 -11.836   3.185
   14    HB1  ALA   2           HB1      ALA   2   8.129  -9.726   3.957
   15    HB2  ALA   2           HB2      ALA   2   8.761 -10.023   5.576
   16    HB3  ALA   2           HB3      ALA   2   7.475 -11.044   4.931
   17    H    THR   3           HN       THR   3  11.054 -12.059   2.400
   18    HA   THR   3           HA       THR   3  12.725  -9.664   2.708
   19    HB   THR   3           HB       THR   3  13.329 -12.300   1.385
   20    HG1  THR   3           HG1      THR   3  13.735 -11.312   3.998
   21   HG21  THR   3          HG21      THR   3  15.146 -10.018   2.200
   22   HG22  THR   3          HG22      THR   3  14.680 -10.429   0.550
   23   HG23  THR   3          HG23      THR   3  15.684 -11.539   1.485
   24    H    LEU   4           HN       LEU   4  12.026  -8.252   1.282
   25    HA   LEU   4           HA       LEU   4  11.078  -7.242  -0.457
   26    HB2  LEU   4           HB2      LEU   4  11.423  -9.874  -1.910
   27    HB3  LEU   4           HB1      LEU   4  10.814  -8.419  -2.685
   28    HG   LEU   4           HG       LEU   4  13.590  -8.803  -1.536
   29   HD11  LEU   4          HD11      LEU   4  12.642  -8.628  -4.391
   30   HD12  LEU   4          HD12      LEU   4  13.236 -10.073  -3.575
   31   HD13  LEU   4          HD13      LEU   4  14.323  -8.716  -3.866
   32   HD21  LEU   4          HD21      LEU   4  12.836  -6.483  -1.334
   33   HD22  LEU   4          HD22      LEU   4  12.403  -6.465  -3.044
   34   HD23  LEU   4          HD23      LEU   4  14.093  -6.631  -2.563
   35    H    LEU   5           HN       LEU   5   9.102  -6.691  -0.576
   36    HA   LEU   5           HA       LEU   5   7.222  -8.148   0.974
   37    HB2  LEU   5           HB2      LEU   5   7.560  -5.679   0.986
   38    HB3  LEU   5           HB1      LEU   5   6.929  -5.602  -0.634
   39    HG   LEU   5           HG       LEU   5   5.228  -6.589   1.660
   40   HD11  LEU   5          HD11      LEU   5   6.115  -4.376   2.227
   41   HD12  LEU   5          HD12      LEU   5   4.393  -4.308   1.848
   42   HD13  LEU   5          HD13      LEU   5   5.579  -3.771   0.661
   43   HD21  LEU   5          HD21      LEU   5   4.431  -6.972  -0.613
   44   HD22  LEU   5          HD22      LEU   5   4.598  -5.245  -0.946
   45   HD23  LEU   5          HD23      LEU   5   3.439  -5.808   0.263
   46    H    THR   6           HN       THR   6   5.589  -9.460   0.333
   47    HA   THR   6           HA       THR   6   5.354  -9.890  -2.547
   48    HB   THR   6           HB       THR   6   4.338 -12.069  -2.006
   49    HG1  THR   6           HG1      THR   6   4.754 -11.205   0.701
   50   HG21  THR   6          HG21      THR   6   6.339 -13.152  -1.060
   51   HG22  THR   6          HG22      THR   6   6.955 -11.576  -0.568
   52   HG23  THR   6          HG23      THR   6   6.768 -11.952  -2.281
   53    H    THR   7           HN       THR   7   3.013 -10.929  -3.059
   54    HA   THR   7           HA       THR   7   1.124  -8.948  -3.136
   55    HB   THR   7           HB       THR   7   0.412 -11.871  -2.974
   56    HG1  THR   7           HG1      THR   7   1.671 -10.534  -5.182
   57   HG21  THR   7          HG21      THR   7  -1.092 -11.258  -4.822
   58   HG22  THR   7          HG22      THR   7  -0.438  -9.622  -4.827
   59   HG23  THR   7          HG23      THR   7  -1.365 -10.190  -3.442
   60    H    ASP   8           HN       ASP   8   1.362 -11.714  -0.900
   61    HA   ASP   8           HA       ASP   8  -0.888 -11.300   0.671
   62    HB2  ASP   8           HB2      ASP   8   1.765 -12.528   1.392
   63    HB3  ASP   8           HB1      ASP   8   0.368 -12.541   2.454
   64    H    ASP   9           HN       ASP   9   2.394 -10.100   1.132
   65    HA   ASP   9           HA       ASP   9   1.894  -8.924   3.667
   66    HB2  ASP   9           HB2      ASP   9   4.061  -8.205   1.680
   67    HB3  ASP   9           HB1      ASP   9   4.017  -7.720   3.367
   68    H    LEU  10           HN       LEU  10   1.773  -7.734   0.385
   69    HA   LEU  10           HA       LEU  10   1.295  -5.020   1.034
   70    HB2  LEU  10           HB2      LEU  10   1.986  -5.941  -1.243
   71    HB3  LEU  10           HB1      LEU  10   0.344  -6.508  -1.418
   72    HG   LEU  10           HG       LEU  10  -0.473  -4.194  -1.327
   73   HD11  LEU  10          HD11      LEU  10   2.455  -3.471  -1.261
   74   HD12  LEU  10          HD12      LEU  10   1.290  -3.225   0.041
   75   HD13  LEU  10          HD13      LEU  10   1.117  -2.339  -1.475
   76   HD21  LEU  10          HD21      LEU  10   1.691  -4.677  -3.372
   77   HD22  LEU  10          HD22      LEU  10   0.383  -3.503  -3.512
   78   HD23  LEU  10          HD23      LEU  10   0.018  -5.229  -3.475
   79    H    ARG  11           HN       ARG  11  -0.798  -7.730   0.188
   80    HA   ARG  11           HA       ARG  11  -3.286  -6.605   0.415
   81    HB2  ARG  11           HB2      ARG  11  -3.031  -8.847  -0.393
   82    HB3  ARG  11           HB1      ARG  11  -2.370  -9.388   1.141
   83    HG2  ARG  11           HG2      ARG  11  -4.490  -9.102   2.219
   84    HG3  ARG  11           HG1      ARG  11  -5.171  -8.372   0.767
   85    HD2  ARG  11           HD2      ARG  11  -5.840 -10.719   1.064
   86    HD3  ARG  11           HD1      ARG  11  -4.960 -10.435  -0.432
   87    HE   ARG  11           HE       ARG  11  -3.113 -11.552   0.461
   88   HH11  ARG  11          HH11      ARG  11  -5.873 -11.638   2.709
   89   HH12  ARG  11          HH12      ARG  11  -5.485 -13.185   3.316
   90   HH21  ARG  11          HH21      ARG  11  -2.544 -13.710   1.456
   91   HH22  ARG  11          HH22      ARG  11  -3.603 -14.310   2.649
   92    H    ARG  12           HN       ARG  12  -1.358  -8.020   2.992
   93    HA   ARG  12           HA       ARG  12  -3.146  -7.626   5.109
   94    HB2  ARG  12           HB2      ARG  12  -0.127  -7.598   5.175
   95    HB3  ARG  12           HB1      ARG  12  -1.168  -7.731   6.587
   96    HG2  ARG  12           HG2      ARG  12  -2.016  -9.847   5.810
   97    HG3  ARG  12           HG1      ARG  12  -1.087  -9.697   4.317
   98    HD2  ARG  12           HD2      ARG  12   0.978  -9.610   5.713
   99    HD3  ARG  12           HD1      ARG  12  -0.026  -9.976   7.115
  100    HE   ARG  12           HE       ARG  12  -0.663 -11.949   5.439
  101   HH11  ARG  12          HH11      ARG  12   2.438 -10.773   6.713
  102   HH12  ARG  12          HH12      ARG  12   3.278 -12.208   6.329
  103   HH21  ARG  12          HH21      ARG  12   0.524 -13.944   4.964
  104   HH22  ARG  12          HH22      ARG  12   2.147 -14.069   5.451
  105    H    ALA  13           HN       ALA  13  -0.628  -5.484   3.847
  106    HA   ALA  13           HA       ALA  13  -0.911  -3.476   5.794
  107    HB1  ALA  13           HB1      ALA  13   0.021  -3.193   2.937
  108    HB2  ALA  13           HB2      ALA  13   1.036  -3.637   4.310
  109    HB3  ALA  13           HB3      ALA  13   0.297  -2.037   4.240
  110    H    LEU  14           HN       LEU  14  -2.440  -3.814   2.529
  111    HA   LEU  14           HA       LEU  14  -3.912  -1.498   2.668
  112    HB2  LEU  14           HB2      LEU  14  -4.081  -4.057   1.172
  113    HB3  LEU  14           HB1      LEU  14  -5.381  -2.895   1.053
  114    HG   LEU  14           HG       LEU  14  -3.821  -2.859  -0.762
  115   HD11  LEU  14          HD11      LEU  14  -5.066  -0.820  -0.249
  116   HD12  LEU  14          HD12      LEU  14  -3.446  -0.375  -0.801
  117   HD13  LEU  14          HD13      LEU  14  -3.830  -0.338   0.916
  118   HD21  LEU  14          HD21      LEU  14  -1.729  -3.366   0.281
  119   HD22  LEU  14          HD22      LEU  14  -1.780  -1.865   1.205
  120   HD23  LEU  14          HD23      LEU  14  -1.587  -1.816  -0.547
  121    H    VAL  15           HN       VAL  15  -4.819  -4.848   3.593
  122    HA   VAL  15           HA       VAL  15  -7.464  -4.057   4.217
  123    HB   VAL  15           HB       VAL  15  -6.866  -6.446   3.605
  124   HG11  VAL  15          HG11      VAL  15  -5.747  -6.596   6.376
  125   HG12  VAL  15          HG12      VAL  15  -4.859  -6.716   4.858
  126   HG13  VAL  15          HG13      VAL  15  -6.032  -7.958   5.292
  127   HG21  VAL  15          HG21      VAL  15  -8.323  -6.132   6.230
  128   HG22  VAL  15          HG22      VAL  15  -8.415  -7.531   5.161
  129   HG23  VAL  15          HG23      VAL  15  -9.029  -5.965   4.622
  130    H    GLU  16           HN       GLU  16  -4.544  -4.149   6.124
  131    HA   GLU  16           HA       GLU  16  -5.790  -3.830   8.673
  132    HB2  GLU  16           HB2      GLU  16  -2.999  -3.396   7.691
  133    HB3  GLU  16           HB1      GLU  16  -3.477  -3.028   9.338
  134    HG2  GLU  16           HG2      GLU  16  -4.020  -5.339   9.727
  135    HG3  GLU  16           HG1      GLU  16  -3.657  -5.733   8.042
  136    H    SER  17           HN       SER  17  -4.393  -1.563   6.323
  137    HA   SER  17           HA       SER  17  -4.634   0.635   8.142
  138    HB2  SER  17           HB2      SER  17  -4.074   0.684   5.179
  139    HB3  SER  17           HB1      SER  17  -3.745   1.972   6.341
  140    HG   SER  17           HG       SER  17  -2.473  -0.459   5.933
  141    H    ALA  18           HN       ALA  18  -6.692  -0.879   5.890
  142    HA   ALA  18           HA       ALA  18  -8.449   1.332   5.495
  143    HB1  ALA  18           HB1      ALA  18  -8.332  -0.565   3.911
  144    HB2  ALA  18           HB2      ALA  18  -9.954  -0.308   4.561
  145    HB3  ALA  18           HB3      ALA  18  -8.958  -1.621   5.180
  146    H    GLY  19           HN       GLY  19  -9.676   2.074   7.034
  147    HA2  GLY  19           HA2      GLY  19 -10.230   0.408   9.367
  148    HA3  GLY  19           HA1      GLY  19 -10.537   2.144   9.245
  149    H    GLU  20           HN       GLU  20 -11.441  -0.134   6.845
  150    HA   GLU  20           HA       GLU  20 -14.259   0.531   7.261
  151    HB2  GLU  20           HB2      GLU  20 -12.933  -0.662   4.816
  152    HB3  GLU  20           HB1      GLU  20 -14.574  -0.050   4.941
  153    HG2  GLU  20           HG2      GLU  20 -12.029   1.556   5.041
  154    HG3  GLU  20           HG1      GLU  20 -13.229   1.537   3.748
  155    H    THR  21           HN       THR  21 -15.394  -1.024   8.204
  156    HA   THR  21           HA       THR  21 -14.370  -3.755   8.048
  157    HB   THR  21           HB       THR  21 -16.288  -2.626  10.121
  158    HG1  THR  21           HG1      THR  21 -14.589  -1.938  11.195
  159   HG21  THR  21          HG21      THR  21 -14.450  -5.041  10.146
  160   HG22  THR  21          HG22      THR  21 -16.199  -5.100   9.929
  161   HG23  THR  21          HG23      THR  21 -15.518  -4.541  11.458
  162    H    ASP  22           HN       ASP  22 -15.752  -2.608   5.964
  163    HA   ASP  22           HA       ASP  22 -17.792  -4.536   5.530
  164    HB2  ASP  22           HB2      ASP  22 -19.565  -3.028   4.981
  165    HB3  ASP  22           HB1      ASP  22 -18.979  -2.446   6.527
  166    H    GLY  23           HN       GLY  23 -18.137  -4.609   3.153
  167    HA2  GLY  23           HA2      GLY  23 -17.342  -4.504   1.024
  168    HA3  GLY  23           HA1      GLY  23 -16.620  -2.951   1.441
  169    H    THR  24           HN       THR  24 -16.053  -6.216   2.730
  170    HA   THR  24           HA       THR  24 -13.231  -5.710   2.692
  171    HB   THR  24           HB       THR  24 -13.136  -8.046   3.714
  172    HG1  THR  24           HG1      THR  24 -15.698  -8.091   4.517
  173   HG21  THR  24          HG21      THR  24 -13.081  -6.001   5.079
  174   HG22  THR  24          HG22      THR  24 -14.011  -7.266   5.885
  175   HG23  THR  24          HG23      THR  24 -14.844  -5.945   5.069
  176    H    ASP  25           HN       ASP  25 -14.157  -5.706   0.150
  177    HA   ASP  25           HA       ASP  25 -13.520  -8.235  -1.134
  178    HB2  ASP  25           HB2      ASP  25 -15.250  -6.757  -2.110
  179    HB3  ASP  25           HB1      ASP  25 -14.032  -5.512  -2.351
  180    H    LEU  26           HN       LEU  26 -12.013  -5.392  -0.095
  181    HA   LEU  26           HA       LEU  26  -9.723  -5.502  -1.779
  182    HB2  LEU  26           HB2      LEU  26 -10.360  -3.402  -0.708
  183    HB3  LEU  26           HB1      LEU  26 -10.143  -4.119   0.877
  184    HG   LEU  26           HG       LEU  26  -7.723  -4.338   0.415
  185   HD11  LEU  26          HD11      LEU  26  -8.359  -2.811  -2.101
  186   HD12  LEU  26          HD12      LEU  26  -7.792  -4.480  -2.002
  187   HD13  LEU  26          HD13      LEU  26  -6.744  -3.161  -1.484
  188   HD21  LEU  26          HD21      LEU  26  -8.837  -1.558   0.093
  189   HD22  LEU  26          HD22      LEU  26  -7.202  -1.959   0.616
  190   HD23  LEU  26          HD23      LEU  26  -8.582  -2.411   1.616
  191    H    SER  27           HN       SER  27  -9.307  -7.654  -1.654
  192    HA   SER  27           HA       SER  27  -7.262  -8.425   0.062
  193    HB2  SER  27           HB2      SER  27  -9.256  -8.842   1.563
  194    HB3  SER  27           HB1      SER  27  -9.909  -9.884   0.300
  195    HG   SER  27           HG       SER  27  -7.799 -10.297   2.057
  196    H    GLY  28           HN       GLY  28  -7.157 -10.931  -0.498
  197    HA2  GLY  28           HA2      GLY  28  -6.617 -12.442  -2.182
  198    HA3  GLY  28           HA1      GLY  28  -8.055 -11.850  -3.008
  199    H    ASP  29           HN       ASP  29  -7.797 -10.725  -4.797
  200    HA   ASP  29           HA       ASP  29  -5.091  -9.819  -5.448
  201    HB2  ASP  29           HB2      ASP  29  -5.548 -10.150  -7.762
  202    HB3  ASP  29           HB1      ASP  29  -6.141 -11.590  -6.955
  203    H    PHE  30           HN       PHE  30  -4.831  -7.782  -6.189
  204    HA   PHE  30           HA       PHE  30  -7.004  -5.875  -6.424
  205    HB2  PHE  30           HB2      PHE  30  -6.609  -4.604  -4.378
  206    HB3  PHE  30           HB1      PHE  30  -7.030  -6.265  -3.977
  207    HD1  PHE  30           HD1      PHE  30  -5.104  -7.867  -3.450
  208    HD2  PHE  30           HD2      PHE  30  -4.643  -3.632  -3.529
  209    HE1  PHE  30           HE1      PHE  30  -3.099  -8.052  -2.053
  210    HE2  PHE  30           HE2      PHE  30  -2.644  -3.824  -2.142
  211    HZ   PHE  30           HZ       PHE  30  -1.767  -6.012  -1.554
  212    H    LEU  31           HN       LEU  31  -3.750  -6.724  -6.815
  213    HA   LEU  31           HA       LEU  31  -2.200  -4.508  -6.524
  214    HB2  LEU  31           HB2      LEU  31  -1.559  -6.874  -7.027
  215    HB3  LEU  31           HB1      LEU  31  -1.982  -6.573  -8.695
  216    HG   LEU  31           HG       LEU  31  -0.246  -4.796  -8.738
  217   HD11  LEU  31          HD11      LEU  31  -0.118  -4.357  -6.351
  218   HD12  LEU  31          HD12      LEU  31   1.464  -4.837  -6.967
  219   HD13  LEU  31          HD13      LEU  31   0.476  -5.990  -6.067
  220   HD21  LEU  31          HD21      LEU  31   0.177  -7.015  -9.647
  221   HD22  LEU  31          HD22      LEU  31   0.663  -7.590  -8.052
  222   HD23  LEU  31          HD23      LEU  31   1.631  -6.371  -8.885
  223    H    ASP  32           HN       ASP  32  -4.450  -5.207  -9.085
  224    HA   ASP  32           HA       ASP  32  -3.385  -3.062 -10.791
  225    HB2  ASP  32           HB2      ASP  32  -5.567  -5.069 -11.379
  226    HB3  ASP  32           HB1      ASP  32  -4.905  -3.907 -12.516
  227    H    LEU  33           HN       LEU  33  -5.568  -3.197  -8.324
  228    HA   LEU  33           HA       LEU  33  -7.705  -1.740  -9.640
  229    HB2  LEU  33           HB2      LEU  33  -7.367  -2.527  -6.750
  230    HB3  LEU  33           HB1      LEU  33  -8.806  -1.798  -7.437
  231    HG   LEU  33           HG       LEU  33  -7.701  -4.530  -8.089
  232   HD11  LEU  33          HD11      LEU  33  -8.771  -4.419  -5.916
  233   HD12  LEU  33          HD12      LEU  33  -9.756  -5.341  -7.052
  234   HD13  LEU  33          HD13      LEU  33 -10.200  -3.686  -6.641
  235   HD21  LEU  33          HD21      LEU  33  -9.716  -4.811  -9.447
  236   HD22  LEU  33          HD22      LEU  33  -8.699  -3.508 -10.060
  237   HD23  LEU  33          HD23      LEU  33 -10.158  -3.133  -9.141
  238    H    ARG  34           HN       ARG  34  -8.251   0.361  -9.237
  239    HA   ARG  34           HA       ARG  34  -6.043   2.124  -8.582
  240    HB2  ARG  34           HB2      ARG  34  -8.946   2.874  -8.946
  241    HB3  ARG  34           HB1      ARG  34  -7.559   3.938  -9.055
  242    HG2  ARG  34           HG2      ARG  34  -8.222   1.706 -10.945
  243    HG3  ARG  34           HG1      ARG  34  -8.511   3.422 -11.223
  244    HD2  ARG  34           HD2      ARG  34  -6.116   3.845 -11.118
  245    HD3  ARG  34           HD1      ARG  34  -5.822   2.127 -10.818
  246    HE   ARG  34           HE       ARG  34  -7.227   2.025 -13.035
  247   HH11  ARG  34          HH11      ARG  34  -4.481   4.144 -12.231
  248   HH12  ARG  34          HH12      ARG  34  -3.907   4.230 -13.831
  249   HH21  ARG  34          HH21      ARG  34  -6.464   2.223 -15.231
  250   HH22  ARG  34          HH22      ARG  34  -5.048   3.067 -15.605
  251    H    PHE  35           HN       PHE  35  -5.776   3.300  -6.684
  252    HA   PHE  35           HA       PHE  35  -7.028   2.458  -4.341
  253    HB2  PHE  35           HB2      PHE  35  -5.562   5.050  -4.868
  254    HB3  PHE  35           HB1      PHE  35  -6.141   4.566  -3.275
  255    HD1  PHE  35           HD1      PHE  35  -5.446   2.001  -2.720
  256    HD2  PHE  35           HD2      PHE  35  -3.354   4.678  -5.266
  257    HE1  PHE  35           HE1      PHE  35  -3.375   0.733  -2.342
  258    HE2  PHE  35           HE2      PHE  35  -1.277   3.413  -4.896
  259    HZ   PHE  35           HZ       PHE  35  -1.322   1.370  -3.474
  260    H    GLU  36           HN       GLU  36  -7.804   5.226  -6.368
  261    HA   GLU  36           HA       GLU  36  -9.964   6.286  -4.932
  262    HB2  GLU  36           HB2      GLU  36 -10.743   7.178  -7.112
  263    HB3  GLU  36           HB1      GLU  36  -9.026   7.441  -6.844
  264    HG2  GLU  36           HG2      GLU  36  -8.456   5.640  -8.316
  265    HG3  GLU  36           HG1      GLU  36 -10.151   5.188  -8.488
  266    H    ASP  37           HN       ASP  37  -9.737   3.393  -6.713
  267    HA   ASP  37           HA       ASP  37 -12.566   3.103  -7.254
  268    HB2  ASP  37           HB2      ASP  37 -10.967   2.449  -8.940
  269    HB3  ASP  37           HB1      ASP  37 -10.182   1.350  -7.815
  270    H    ILE  38           HN       ILE  38 -10.147   1.909  -5.064
  271    HA   ILE  38           HA       ILE  38 -12.045   0.008  -3.918
  272    HB   ILE  38           HB       ILE  38 -10.133  -0.789  -2.520
  273   HG12  ILE  38          HG12      ILE  38  -8.519   1.127  -4.230
  274   HG13  ILE  38          HG11      ILE  38  -8.814   1.287  -2.506
  275   HG21  ILE  38          HG21      ILE  38  -9.683  -0.811  -5.494
  276   HG22  ILE  38          HG22      ILE  38 -10.701  -1.925  -4.574
  277   HG23  ILE  38          HG23      ILE  38  -8.950  -1.921  -4.336
  278   HD11  ILE  38          HD11      ILE  38  -6.574   0.465  -2.955
  279   HD12  ILE  38          HD12      ILE  38  -7.244  -0.910  -3.836
  280   HD13  ILE  38          HD13      ILE  38  -7.526  -0.751  -2.101
  281    H    GLY  39           HN       GLY  39 -11.971   3.018  -3.646
  282    HA2  GLY  39           HA2      GLY  39 -12.569   4.563  -2.057
  283    HA3  GLY  39           HA1      GLY  39 -13.041   3.199  -1.053
  284    H    TYR  40           HN       TYR  40  -9.818   3.932  -2.285
  285    HA   TYR  40           HA       TYR  40  -8.938   3.971   0.487
  286    HB2  TYR  40           HB2      TYR  40  -7.956   2.541  -1.707
  287    HB3  TYR  40           HB1      TYR  40  -6.806   3.849  -1.454
  288    HD1  TYR  40           HD1      TYR  40  -8.631   1.197   0.328
  289    HD2  TYR  40           HD2      TYR  40  -5.231   3.716   0.225
  290    HE1  TYR  40           HE1      TYR  40  -7.729   0.021   2.243
  291    HE2  TYR  40           HE2      TYR  40  -4.301   2.542   2.166
  292    HH   TYR  40           HH       TYR  40  -5.639  -0.368   3.377
  293    H    ASP  41           HN       ASP  41  -8.971   5.934   1.182
  294    HA   ASP  41           HA       ASP  41  -8.147   8.114  -0.544
  295    HB2  ASP  41           HB2      ASP  41  -9.393   8.080   2.200
  296    HB3  ASP  41           HB1      ASP  41  -8.758   9.552   1.484
  297    H    SER  42           HN       SER  42  -6.866   9.854   0.637
  298    HA   SER  42           HA       SER  42  -4.252   9.141   0.699
  299    HB2  SER  42           HB2      SER  42  -4.953  11.383   0.341
  300    HB3  SER  42           HB1      SER  42  -5.649  11.489   1.957
  301    H    LEU  43           HN       LEU  43  -6.349   9.514   3.547
  302    HA   LEU  43           HA       LEU  43  -4.374   9.355   5.507
  303    HB2  LEU  43           HB2      LEU  43  -6.727  10.096   5.803
  304    HB3  LEU  43           HB1      LEU  43  -7.231   8.426   5.701
  305    HG   LEU  43           HG       LEU  43  -5.351   9.351   7.872
  306   HD11  LEU  43          HD11      LEU  43  -8.353   9.355   7.859
  307   HD12  LEU  43          HD12      LEU  43  -7.295  10.768   7.873
  308   HD13  LEU  43          HD13      LEU  43  -7.318   9.671   9.256
  309   HD21  LEU  43          HD21      LEU  43  -7.381   7.111   7.724
  310   HD22  LEU  43          HD22      LEU  43  -6.319   7.458   9.087
  311   HD23  LEU  43          HD23      LEU  43  -5.636   6.915   7.553
  312    H    ALA  44           HN       ALA  44  -6.519   6.746   4.408
  313    HA   ALA  44           HA       ALA  44  -5.160   4.736   5.855
  314    HB1  ALA  44           HB1      ALA  44  -6.929   4.462   3.432
  315    HB2  ALA  44           HB2      ALA  44  -7.476   4.496   5.107
  316    HB3  ALA  44           HB3      ALA  44  -6.477   3.156   4.530
  317    H    LEU  45           HN       LEU  45  -4.791   6.034   2.639
  318    HA   LEU  45           HA       LEU  45  -3.111   4.062   1.558
  319    HB2  LEU  45           HB2      LEU  45  -4.241   5.758   0.204
  320    HB3  LEU  45           HB1      LEU  45  -3.250   7.007   0.926
  321    HG   LEU  45           HG       LEU  45  -1.254   5.993  -0.095
  322   HD11  LEU  45          HD11      LEU  45  -2.005   3.706  -0.212
  323   HD12  LEU  45          HD12      LEU  45  -1.539   4.278  -1.818
  324   HD13  LEU  45          HD13      LEU  45  -3.244   4.146  -1.383
  325   HD21  LEU  45          HD21      LEU  45  -2.428   7.794  -1.233
  326   HD22  LEU  45          HD22      LEU  45  -3.474   6.625  -2.042
  327   HD23  LEU  45          HD23      LEU  45  -1.742   6.657  -2.390
  328    H    MET  46           HN       MET  46  -2.351   7.102   3.212
  329    HA   MET  46           HA       MET  46   0.432   6.714   3.031
  330    HB2  MET  46           HB2      MET  46   0.705   8.609   4.512
  331    HB3  MET  46           HB1      MET  46  -0.583   8.964   3.388
  332    HG2  MET  46           HG2      MET  46  -1.387   9.814   5.400
  333    HG3  MET  46           HG1      MET  46  -2.147   8.237   5.301
  334    HE1  MET  46           HE1      MET  46   0.814  10.301   6.905
  335    HE2  MET  46           HE2      MET  46   1.629   8.915   6.180
  336    HE3  MET  46           HE3      MET  46   1.564   9.082   7.934
  337    H    GLU  47           HN       GLU  47  -1.958   5.821   5.445
  338    HA   GLU  47           HA       GLU  47  -0.137   4.919   7.379
  339    HB2  GLU  47           HB2      GLU  47  -2.969   4.156   6.851
  340    HB3  GLU  47           HB1      GLU  47  -2.068   3.507   8.228
  341    HG2  GLU  47           HG2      GLU  47  -1.699   6.086   8.668
  342    HG3  GLU  47           HG1      GLU  47  -3.168   6.205   7.696
  343    H    THR  48           HN       THR  48  -1.448   3.391   4.563
  344    HA   THR  48           HA       THR  48  -0.804   0.720   5.047
  345    HB   THR  48           HB       THR  48  -0.749   2.292   2.452
  346    HG1  THR  48           HG1      THR  48  -2.795   2.153   3.715
  347   HG21  THR  48          HG21      THR  48  -1.103   0.120   1.345
  348   HG22  THR  48          HG22      THR  48  -0.913  -0.694   2.901
  349   HG23  THR  48          HG23      THR  48   0.444   0.180   2.190
  350    H    ALA  49           HN       ALA  49   1.042   3.101   3.161
  351    HA   ALA  49           HA       ALA  49   3.394   1.586   3.054
  352    HB1  ALA  49           HB1      ALA  49   2.875   3.370   1.479
  353    HB2  ALA  49           HB2      ALA  49   4.460   3.587   2.224
  354    HB3  ALA  49           HB3      ALA  49   3.088   4.556   2.764
  355    H    ALA  50           HN       ALA  50   2.250   3.957   5.386
  356    HA   ALA  50           HA       ALA  50   4.616   4.430   6.776
  357    HB1  ALA  50           HB1      ALA  50   2.568   5.728   7.085
  358    HB2  ALA  50           HB2      ALA  50   3.209   5.153   8.622
  359    HB3  ALA  50           HB3      ALA  50   1.817   4.350   7.888
  360    H    ARG  51           HN       ARG  51   2.161   1.819   7.312
  361    HA   ARG  51           HA       ARG  51   3.403   0.727   9.531
  362    HB2  ARG  51           HB2      ARG  51   1.611  -0.428   7.410
  363    HB3  ARG  51           HB1      ARG  51   2.115  -1.282   8.857
  364    HG2  ARG  51           HG2      ARG  51   1.054   0.471  10.222
  365    HG3  ARG  51           HG1      ARG  51   0.504   1.246   8.737
  366    HD2  ARG  51           HD2      ARG  51  -0.785  -0.754   8.173
  367    HD3  ARG  51           HD1      ARG  51  -0.234  -1.533   9.662
  368    HE   ARG  51           HE       ARG  51  -1.596   1.027   9.863
  369   HH11  ARG  51          HH11      ARG  51  -1.764  -2.514  10.440
  370   HH12  ARG  51          HH12      ARG  51  -3.177  -2.371  11.375
  371   HH21  ARG  51          HH21      ARG  51  -3.500   1.125  11.155
  372   HH22  ARG  51          HH22      ARG  51  -4.136  -0.313  11.834
  373    H    LEU  52           HN       LEU  52   3.818   0.334   6.109
  374    HA   LEU  52           HA       LEU  52   5.533  -1.919   6.247
  375    HB2  LEU  52           HB2      LEU  52   5.211   0.135   4.060
  376    HB3  LEU  52           HB1      LEU  52   6.016  -1.416   3.893
  377    HG   LEU  52           HG       LEU  52   3.091  -1.041   4.532
  378   HD11  LEU  52          HD11      LEU  52   2.684  -1.876   2.279
  379   HD12  LEU  52          HD12      LEU  52   4.422  -1.871   1.968
  380   HD13  LEU  52          HD13      LEU  52   3.574  -0.355   2.268
  381   HD21  LEU  52          HD21      LEU  52   4.674  -3.532   3.921
  382   HD22  LEU  52          HD22      LEU  52   2.925  -3.449   4.143
  383   HD23  LEU  52          HD23      LEU  52   4.006  -3.082   5.489
  384    H    GLU  53           HN       GLU  53   6.063   1.571   6.220
  385    HA   GLU  53           HA       GLU  53   8.863   1.540   6.051
  386    HB2  GLU  53           HB2      GLU  53   7.098   3.521   7.498
  387    HB3  GLU  53           HB1      GLU  53   8.806   3.747   7.192
  388    HG2  GLU  53           HG2      GLU  53   8.333   3.684   4.776
  389    HG3  GLU  53           HG1      GLU  53   6.611   3.587   5.145
  390    H    SER  54           HN       SER  54   6.737   1.595   8.876
  391    HA   SER  54           HA       SER  54   8.757   1.460  10.814
  392    HB2  SER  54           HB2      SER  54   5.920   0.433  11.009
  393    HB3  SER  54           HB1      SER  54   6.962   0.924  12.346
  394    HG   SER  54           HG       SER  54   6.978   2.992  10.819
  395    H    ARG  55           HN       ARG  55   6.862  -1.097   9.242
  396    HA   ARG  55           HA       ARG  55   7.863  -3.258  10.719
  397    HB2  ARG  55           HB2      ARG  55   5.796  -3.463   9.535
  398    HB3  ARG  55           HB1      ARG  55   6.577  -3.118   7.999
  399    HG2  ARG  55           HG2      ARG  55   7.822  -5.230   8.190
  400    HG3  ARG  55           HG1      ARG  55   6.969  -5.572   9.695
  401    HD2  ARG  55           HD2      ARG  55   4.875  -5.684   8.571
  402    HD3  ARG  55           HD1      ARG  55   5.580  -5.065   7.076
  403    HE   ARG  55           HE       ARG  55   6.906  -7.404   7.887
  404   HH11  ARG  55          HH11      ARG  55   3.742  -6.437   6.490
  405   HH12  ARG  55          HH12      ARG  55   3.614  -7.875   5.586
  406   HH21  ARG  55          HH21      ARG  55   6.606  -9.352   6.649
  407   HH22  ARG  55          HH22      ARG  55   5.259  -9.503   5.606
  408    H    TYR  56           HN       TYR  56   8.804  -2.128   7.450
  409    HA   TYR  56           HA       TYR  56  10.902  -4.134   7.424
  410    HB2  TYR  56           HB2      TYR  56  10.021  -2.165   5.321
  411    HB3  TYR  56           HB1      TYR  56  11.329  -3.320   5.115
  412    HD1  TYR  56           HD2      TYR  56  10.824  -5.752   5.033
  413    HD2  TYR  56           HD1      TYR  56   7.738  -2.835   5.158
  414    HE1  TYR  56           HE2      TYR  56   9.210  -7.436   4.252
  415    HE2  TYR  56           HE1      TYR  56   6.122  -4.504   4.380
  416    HH   TYR  56           HH       TYR  56   6.109  -6.605   3.146
  417    H    GLY  57           HN       GLY  57  10.619  -0.771   8.117
  418    HA2  GLY  57           HA2      GLY  57  12.250   0.562   9.049
  419    HA3  GLY  57           HA1      GLY  57  13.441  -0.689   8.696
  420    H    VAL  58           HN       VAL  58  11.287   1.518   6.956
  421    HA   VAL  58           HA       VAL  58  13.539   2.264   5.286
  422    HB   VAL  58           HB       VAL  58  12.152   2.323   3.220
  423   HG11  VAL  58          HG11      VAL  58  12.128  -0.079   2.761
  424   HG12  VAL  58          HG12      VAL  58  12.338  -0.404   4.483
  425   HG13  VAL  58          HG13      VAL  58  13.606   0.424   3.582
  426   HG21  VAL  58          HG21      VAL  58   9.936   2.460   4.241
  427   HG22  VAL  58          HG22      VAL  58  10.106   0.810   4.846
  428   HG23  VAL  58          HG23      VAL  58  10.034   1.110   3.109
  429    H    SER  59           HN       SER  59  12.887   4.199   3.847
  430    HA   SER  59           HA       SER  59  11.124   6.043   5.302
  431    HB2  SER  59           HB2      SER  59  13.894   6.759   4.276
  432    HB3  SER  59           HB1      SER  59  12.815   7.781   5.224
  433    HG   SER  59           HG       SER  59  13.383   6.778   7.011
  434    H    ILE  60           HN       ILE  60   9.602   6.468   3.770
  435    HA   ILE  60           HA       ILE  60  10.352   6.547   0.954
  436    HB   ILE  60           HB       ILE  60   7.633   6.700   2.291
  437   HG12  ILE  60          HG12      ILE  60   8.962   4.438   0.780
  438   HG13  ILE  60          HG11      ILE  60   8.795   4.530   2.529
  439   HG21  ILE  60          HG21      ILE  60   8.333   6.442  -0.640
  440   HG22  ILE  60          HG22      ILE  60   7.621   7.859   0.133
  441   HG23  ILE  60          HG23      ILE  60   6.708   6.352   0.036
  442   HD11  ILE  60          HD11      ILE  60   7.149   3.045   1.547
  443   HD12  ILE  60          HD12      ILE  60   6.544   4.366   0.544
  444   HD13  ILE  60          HD13      ILE  60   6.371   4.441   2.297
  445    HA   PRO  61           HA       PRO  61  10.577  11.039   1.019
  446    HB2  PRO  61           HB2      PRO  61  10.402  10.752  -1.923
  447    HB3  PRO  61           HB1      PRO  61  11.672  11.495  -0.944
  448    HG2  PRO  61           HG2      PRO  61  12.076   9.154  -2.155
  449    HG3  PRO  61           HG1      PRO  61  12.725   9.471  -0.534
  450    HD2  PRO  61           HD2      PRO  61  10.281   7.924  -1.324
  451    HD3  PRO  61           HD1      PRO  61  11.531   7.508  -0.133
  452    H    ASP  62           HN       ASP  62   9.158  12.630   0.905
  453    HA   ASP  62           HA       ASP  62   6.438  12.145   1.024
  454    HB2  ASP  62           HB2      ASP  62   7.342  14.011   2.164
  455    HB3  ASP  62           HB1      ASP  62   7.924  14.733   0.671
  456    H    ASP  63           HN       ASP  63   8.193  13.528  -1.728
  457    HA   ASP  63           HA       ASP  63   5.731  14.160  -3.088
  458    HB2  ASP  63           HB2      ASP  63   7.020  14.929  -4.955
  459    HB3  ASP  63           HB1      ASP  63   7.858  15.427  -3.495
  460    H    VAL  64           HN       VAL  64   7.472  11.320  -2.763
  461    HA   VAL  64           HA       VAL  64   6.784  10.219  -5.333
  462    HB   VAL  64           HB       VAL  64   7.817   8.820  -2.881
  463   HG11  VAL  64          HG11      VAL  64   8.675   7.123  -4.477
  464   HG12  VAL  64          HG12      VAL  64   7.908   8.009  -5.798
  465   HG13  VAL  64          HG13      VAL  64   6.918   7.266  -4.543
  466   HG21  VAL  64          HG21      VAL  64  10.062   9.034  -3.879
  467   HG22  VAL  64          HG22      VAL  64   9.333  10.597  -3.508
  468   HG23  VAL  64          HG23      VAL  64   9.369  10.013  -5.171
  469    H    ALA  65           HN       ALA  65   5.261  10.628  -2.397
  470    HA   ALA  65           HA       ALA  65   3.586   8.379  -2.152
  471    HB1  ALA  65           HB1      ALA  65   3.862  10.095  -0.392
  472    HB2  ALA  65           HB2      ALA  65   2.176   9.739  -0.736
  473    HB3  ALA  65           HB3      ALA  65   2.906  11.219  -1.362
  474    H    GLY  66           HN       GLY  66   3.054  11.399  -3.909
  475    HA2  GLY  66           HA2      GLY  66   0.391  10.763  -4.643
  476    HA3  GLY  66           HA1      GLY  66   1.368  12.064  -5.283
  477    H    ARG  67           HN       ARG  67   3.079   9.239  -5.795
  478    HA   ARG  67           HA       ARG  67   2.268   9.347  -8.603
  479    HB2  ARG  67           HB2      ARG  67   4.254   8.209  -9.172
  480    HB3  ARG  67           HB1      ARG  67   4.733   9.275  -7.861
  481    HG2  ARG  67           HG2      ARG  67   4.761   7.481  -6.297
  482    HG3  ARG  67           HG1      ARG  67   3.998   6.394  -7.450
  483    HD2  ARG  67           HD2      ARG  67   6.051   6.685  -8.881
  484    HD3  ARG  67           HD1      ARG  67   6.788   7.510  -7.500
  485    HE   ARG  67           HE       ARG  67   5.965   5.305  -6.349
  486   HH11  ARG  67          HH11      ARG  67   7.824   5.740  -9.344
  487   HH12  ARG  67          HH12      ARG  67   8.440   4.156  -9.359
  488   HH21  ARG  67          HH21      ARG  67   6.819   3.077  -6.392
  489   HH22  ARG  67          HH22      ARG  67   7.885   2.627  -7.627
  490    H    VAL  68           HN       VAL  68   1.807   7.380  -5.828
  491    HA   VAL  68           HA       VAL  68   1.450   4.993  -7.397
  492    HB   VAL  68           HB       VAL  68   1.136   3.797  -5.228
  493   HG11  VAL  68          HG11      VAL  68   3.344   4.002  -6.174
  494   HG12  VAL  68          HG12      VAL  68   3.419   4.074  -4.413
  495   HG13  VAL  68          HG13      VAL  68   3.571   5.551  -5.365
  496   HG21  VAL  68          HG21      VAL  68   0.156   5.589  -3.874
  497   HG22  VAL  68          HG22      VAL  68   1.678   6.486  -3.969
  498   HG23  VAL  68          HG23      VAL  68   1.619   4.936  -3.131
  499    H    ASP  69           HN       ASP  69  -0.257   5.161  -8.587
  500    HA   ASP  69           HA       ASP  69  -2.827   5.886  -7.392
  501    HB2  ASP  69           HB2      ASP  69  -2.269   6.956  -9.512
  502    HB3  ASP  69           HB1      ASP  69  -1.991   5.390 -10.257
  503    H    THR  70           HN       THR  70  -1.012   3.252  -8.605
  504    HA   THR  70           HA       THR  70  -3.213   1.440  -7.892
  505    HB   THR  70           HB       THR  70  -2.045  -0.247  -9.384
  506    HG1  THR  70           HG1      THR  70  -0.560   2.072 -10.132
  507   HG21  THR  70          HG21      THR  70  -4.028   0.932 -10.173
  508   HG22  THR  70          HG22      THR  70  -2.894   0.688 -11.500
  509   HG23  THR  70          HG23      THR  70  -3.033   2.274 -10.736
  510    HA   PRO  71           HA       PRO  71  -0.670  -0.165  -4.579
  511    HB2  PRO  71           HB2      PRO  71  -1.577  -2.880  -5.388
  512    HB3  PRO  71           HB1      PRO  71  -1.737  -2.065  -3.828
  513    HG2  PRO  71           HG2      PRO  71  -3.846  -2.366  -5.410
  514    HG3  PRO  71           HG1      PRO  71  -3.604  -0.862  -4.499
  515    HD2  PRO  71           HD2      PRO  71  -3.082  -1.430  -7.392
  516    HD3  PRO  71           HD1      PRO  71  -3.815   0.002  -6.638
  517    H    ARG  72           HN       ARG  72  -0.591  -1.552  -7.715
  518    HA   ARG  72           HA       ARG  72   1.659  -3.129  -7.850
  519    HB2  ARG  72           HB2      ARG  72   0.052  -2.606  -9.666
  520    HB3  ARG  72           HB1      ARG  72   0.767  -1.011  -9.806
  521    HG2  ARG  72           HG2      ARG  72   2.923  -2.132 -10.387
  522    HG3  ARG  72           HG1      ARG  72   2.028  -3.658 -10.455
  523    HD2  ARG  72           HD2      ARG  72   1.510  -1.179 -12.085
  524    HD3  ARG  72           HD1      ARG  72   2.215  -2.679 -12.666
  525    HE   ARG  72           HE       ARG  72   0.043  -3.743 -12.122
  526   HH11  ARG  72          HH11      ARG  72   0.031  -0.179 -12.669
  527   HH12  ARG  72          HH12      ARG  72  -1.489  -0.189 -13.404
  528   HH21  ARG  72          HH21      ARG  72  -2.129  -3.647 -13.080
  529   HH22  ARG  72          HH22      ARG  72  -2.733  -2.158 -13.644
  530    H    GLU  73           HN       GLU  73   1.448   0.385  -8.261
  531    HA   GLU  73           HA       GLU  73   4.221   0.886  -8.504
  532    HB2  GLU  73           HB2      GLU  73   1.988   2.753  -7.733
  533    HB3  GLU  73           HB1      GLU  73   3.577   3.215  -8.338
  534    HG2  GLU  73           HG2      GLU  73   3.118   2.206 -10.460
  535    HG3  GLU  73           HG1      GLU  73   1.589   1.570  -9.864
  536    H    LEU  74           HN       LEU  74   1.984   0.799  -5.841
  537    HA   LEU  74           HA       LEU  74   3.649   2.034  -3.894
  538    HB2  LEU  74           HB2      LEU  74   1.115   1.683  -3.785
  539    HB3  LEU  74           HB1      LEU  74   1.434   0.014  -3.405
  540    HG   LEU  74           HG       LEU  74   0.785   1.396  -1.443
  541   HD11  LEU  74          HD11      LEU  74   2.055  -0.615  -1.035
  542   HD12  LEU  74          HD12      LEU  74   2.494   0.654   0.108
  543   HD13  LEU  74          HD13      LEU  74   3.564   0.277  -1.244
  544   HD21  LEU  74          HD21      LEU  74   1.806   3.494  -2.085
  545   HD22  LEU  74          HD22      LEU  74   3.413   2.787  -1.915
  546   HD23  LEU  74          HD23      LEU  74   2.383   2.991  -0.496
  547    H    LEU  75           HN       LEU  75   2.982  -1.319  -4.765
  548    HA   LEU  75           HA       LEU  75   4.676  -2.711  -3.070
  549    HB2  LEU  75           HB2      LEU  75   3.046  -3.760  -4.554
  550    HB3  LEU  75           HB1      LEU  75   3.939  -3.216  -5.953
  551    HG   LEU  75           HG       LEU  75   5.802  -4.712  -5.308
  552   HD11  LEU  75          HD11      LEU  75   5.410  -6.432  -3.627
  553   HD12  LEU  75          HD12      LEU  75   3.874  -5.665  -3.210
  554   HD13  LEU  75          HD13      LEU  75   5.392  -4.815  -2.926
  555   HD21  LEU  75          HD21      LEU  75   4.678  -6.786  -5.939
  556   HD22  LEU  75          HD22      LEU  75   4.136  -5.428  -6.921
  557   HD23  LEU  75          HD23      LEU  75   3.114  -6.036  -5.617
  558    H    ASP  76           HN       ASP  76   5.286  -1.394  -6.280
  559    HA   ASP  76           HA       ASP  76   7.980  -2.006  -6.595
  560    HB2  ASP  76           HB2      ASP  76   6.662  -1.147  -8.433
  561    HB3  ASP  76           HB1      ASP  76   6.435   0.387  -7.603
  562    H    LEU  77           HN       LEU  77   6.481   0.789  -5.074
  563    HA   LEU  77           HA       LEU  77   8.811   2.292  -4.620
  564    HB2  LEU  77           HB2      LEU  77   6.643   3.317  -4.556
  565    HB3  LEU  77           HB1      LEU  77   6.125   2.273  -3.246
  566    HG   LEU  77           HG       LEU  77   7.639   3.416  -1.795
  567   HD11  LEU  77          HD11      LEU  77   8.255   5.147  -4.197
  568   HD12  LEU  77          HD12      LEU  77   9.378   4.046  -3.393
  569   HD13  LEU  77          HD13      LEU  77   8.789   5.478  -2.548
  570   HD21  LEU  77          HD21      LEU  77   5.818   5.234  -3.353
  571   HD22  LEU  77          HD22      LEU  77   6.457   5.580  -1.748
  572   HD23  LEU  77          HD23      LEU  77   5.371   4.212  -1.987
  573    H    ILE  78           HN       ILE  78   7.103  -0.046  -2.626
  574    HA   ILE  78           HA       ILE  78   8.770   0.239  -0.349
  575    HB   ILE  78           HB       ILE  78   7.088  -2.149  -1.170
  576   HG12  ILE  78          HG12      ILE  78   5.729  -0.124  -0.970
  577   HG13  ILE  78          HG11      ILE  78   5.389  -1.225   0.356
  578   HG21  ILE  78          HG21      ILE  78   8.241  -1.392   1.519
  579   HG22  ILE  78          HG22      ILE  78   8.756  -2.741   0.506
  580   HG23  ILE  78          HG23      ILE  78   7.142  -2.739   1.219
  581   HD11  ILE  78          HD11      ILE  78   6.775   0.139   1.838
  582   HD12  ILE  78          HD12      ILE  78   5.478   1.086   1.111
  583   HD13  ILE  78          HD13      ILE  78   7.129   1.233   0.502
  584    H    ASN  79           HN       ASN  79   8.661  -2.239  -2.919
  585    HA   ASN  79           HA       ASN  79  10.908  -3.631  -1.949
  586    HB2  ASN  79           HB2      ASN  79   9.586  -3.686  -4.658
  587    HB3  ASN  79           HB1      ASN  79  11.005  -4.663  -4.290
  588   HD21  ASN  79          HD21      ASN  79   8.321  -5.531  -4.954
  589   HD22  ASN  79          HD22      ASN  79   7.774  -6.487  -3.612
  590    H    GLY  80           HN       GLY  80  10.684  -0.946  -4.178
  591    HA2  GLY  80           HA2      GLY  80  13.349  -0.964  -5.072
  592    HA3  GLY  80           HA1      GLY  80  12.309   0.455  -4.974
  593    H    ALA  81           HN       ALA  81  11.838   0.350  -2.192
  594    HA   ALA  81           HA       ALA  81  14.208   1.586  -1.184
  595    HB1  ALA  81           HB1      ALA  81  11.975   2.348  -0.507
  596    HB2  ALA  81           HB2      ALA  81  12.928   1.854   0.893
  597    HB3  ALA  81           HB3      ALA  81  11.673   0.788   0.260
  598    H    LEU  82           HN       LEU  82  12.546  -1.458  -0.710
  599    HA   LEU  82           HA       LEU  82  14.151  -2.512   1.335
  600    HB2  LEU  82           HB2      LEU  82  12.559  -3.938  -0.781
  601    HB3  LEU  82           HB1      LEU  82  13.341  -4.752   0.559
  602    HG   LEU  82           HG       LEU  82  11.129  -2.715   0.768
  603   HD11  LEU  82          HD11      LEU  82  10.379  -4.877  -0.059
  604   HD12  LEU  82          HD12      LEU  82   9.810  -4.599   1.586
  605   HD13  LEU  82          HD13      LEU  82  11.172  -5.683   1.295
  606   HD21  LEU  82          HD21      LEU  82  12.687  -2.547   2.631
  607   HD22  LEU  82          HD22      LEU  82  12.555  -4.284   2.907
  608   HD23  LEU  82          HD23      LEU  82  11.151  -3.242   3.149
  609    H    ALA  83           HN       ALA  83  14.683  -2.357  -2.077
  610    HA   ALA  83           HA       ALA  83  16.748  -4.242  -2.279
  611    HB1  ALA  83           HB1      ALA  83  15.664  -3.223  -4.231
  612    HB2  ALA  83           HB2      ALA  83  17.420  -3.048  -4.305
  613    HB3  ALA  83           HB3      ALA  83  16.418  -1.675  -3.843
  614    H    GLU  84           HN       GLU  84  16.731  -0.901  -1.209
  615    HA   GLU  84           HA       GLU  84  19.609  -0.741  -1.007
  616    HB2  GLU  84           HB2      GLU  84  17.469   1.153  -0.025
  617    HB3  GLU  84           HB1      GLU  84  19.191   1.490  -0.092
  618    HG2  GLU  84           HG2      GLU  84  17.369   1.013  -2.435
  619    HG3  GLU  84           HG1      GLU  84  18.055   2.554  -1.928
  620    H    ALA  85           HN       ALA  85  16.951  -1.666   0.914
  621    HA   ALA  85           HA       ALA  85  18.068  -1.200   3.471
  622    HB1  ALA  85           HB1      ALA  85  15.866  -3.109   2.677
  623    HB2  ALA  85           HB2      ALA  85  15.646  -1.420   3.126
  624    HB3  ALA  85           HB3      ALA  85  16.239  -2.579   4.317
  625    H    ALA  86           HN       ALA  86  19.938  -2.043   3.855
  626    HA   ALA  86           HA       ALA  86  20.228  -4.848   4.243
  627    HB1  ALA  86           HB1      ALA  86  22.005  -3.394   2.255
  628    HB2  ALA  86           HB2      ALA  86  20.874  -4.690   1.869
  629    HB3  ALA  86           HB3      ALA  86  22.288  -5.022   2.871
  630    H28  SXH  87          H28B      SXH  87  -1.109  11.495   3.011
  631   H28A  SXH  87          H28A      SXH  87  -1.276  12.384   4.523
  632    H30  SXH  87          H30C      SXH  87   1.227  11.335   3.700
  633   H30A  SXH  87          H30A      SXH  87   0.993  12.430   5.062
  634   H30B  SXH  87          H30B      SXH  87   2.237  12.778   3.856
  635    H31  SXH  87          H31A      SXH  87  -0.170  13.553   1.135
  636   H31A  SXH  87          H31C      SXH  87   1.548  13.524   1.533
  637   H31B  SXH  87          H31B      SXH  87   0.643  12.014   1.419
  638    H32  SXH  87          H32A      SXH  87  -0.009  14.718   4.722
  639   HO33  SXH  87          H33A      SXH  87  -1.435  14.637   2.723
  640   HN36  SXH  87          H36A      SXH  87   2.275  14.705   5.089
  641    H37  SXH  87          H37A      SXH  87   4.271  15.657   3.258
  642   H37A  SXH  87          H37B      SXH  87   3.686  16.938   4.294
  643    H38  SXH  87          H38A      SXH  87   5.650  16.060   5.246
  644   H38A  SXH  87          H38B      SXH  87   4.292  15.633   6.308
  645   HN41  SXH  87          H41A      SXH  87   4.936  13.911   3.357
  646    H42  SXH  87          H42A      SXH  87   6.474  12.048   3.132
  647   H42A  SXH  87          H42B      SXH  87   6.157  11.672   4.825
  648    H43  SXH  87          H43A      SXH  87   4.173  11.475   2.567
  649   H43A  SXH  87          H43B      SXH  87   3.835  11.149   4.273
  650    H2   SXH  87           H2A      SXH  87   2.737   6.847   2.985
  651    H2A  SXH  87           H2B      SXH  87   4.329   6.834   3.747
  652    H3   SXH  87           H3A      SXH  87   4.494   5.727   1.635
  653    H3A  SXH  87           H3B      SXH  87   5.294   7.293   1.471
  654    H4   SXH  87           H4B      SXH  87   3.297   8.206   0.410
  655    H4A  SXH  87           H4A      SXH  87   3.944   6.825  -0.479
  656    H5   SXH  87           H5A      SXH  87   1.621   6.740   1.448
  657    H5A  SXH  87           H5B      SXH  87   2.237   5.378   0.492
  658    H6   SXH  87           H6C      SXH  87   1.088   7.948  -0.579
  659    H6A  SXH  87           H6A      SXH  87   0.272   6.386  -0.549
  660    H6B  SXH  87           H6B      SXH  87   1.705   6.612  -1.552
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  20.369 -12.909   0.442
    2    H2   MET   1           HT2      MET   1  20.089 -14.480  -0.118
    3    H3   MET   1           HT3      MET   1  19.159 -13.808   1.152
    4    HA   MET   1           HA       MET   1  19.258 -12.642  -1.539
    5    HB2  MET   1           HB2      MET   1  16.989 -13.486  -1.897
    6    HB3  MET   1           HB1      MET   1  18.065 -14.835  -1.587
    7    HG2  MET   1           HG2      MET   1  17.236 -15.011   0.686
    8    HG3  MET   1           HG1      MET   1  16.209 -13.596   0.439
    9    HE1  MET   1           HE1      MET   1  16.876 -17.343  -0.548
   10    HE2  MET   1           HE2      MET   1  16.955 -16.522  -2.105
   11    HE3  MET   1           HE3      MET   1  15.624 -17.627  -1.756
   12    H    ALA   2           HN       ALA   2  17.076 -11.253  -1.639
   13    HA   ALA   2           HA       ALA   2  17.085  -9.717   0.847
   14    HB1  ALA   2           HB1      ALA   2  16.434  -8.820  -1.966
   15    HB2  ALA   2           HB2      ALA   2  17.926  -8.472  -1.094
   16    HB3  ALA   2           HB3      ALA   2  16.396  -7.802  -0.526
   17    H    THR   3           HN       THR   3  15.247  -9.516   1.903
   18    HA   THR   3           HA       THR   3  12.938 -10.995   1.139
   19    HB   THR   3           HB       THR   3  13.389  -8.991   3.320
   20    HG1  THR   3           HG1      THR   3  14.252 -10.580   4.466
   21   HG21  THR   3          HG21      THR   3  11.298 -11.160   3.041
   22   HG22  THR   3          HG22      THR   3  11.011  -9.423   2.925
   23   HG23  THR   3          HG23      THR   3  11.513 -10.134   4.461
   24    H    LEU   4           HN       LEU   4  11.834 -10.168  -0.565
   25    HA   LEU   4           HA       LEU   4  11.311  -7.300  -0.702
   26    HB2  LEU   4           HB2      LEU   4  10.751  -9.521  -2.679
   27    HB3  LEU   4           HB1      LEU   4  10.504  -7.808  -2.967
   28    HG   LEU   4           HG       LEU   4  13.178  -9.143  -2.524
   29   HD11  LEU   4          HD11      LEU   4  13.577  -8.647  -4.878
   30   HD12  LEU   4          HD12      LEU   4  11.929  -8.036  -5.027
   31   HD13  LEU   4          HD13      LEU   4  12.207  -9.738  -4.664
   32   HD21  LEU   4          HD21      LEU   4  14.122  -6.979  -3.167
   33   HD22  LEU   4          HD22      LEU   4  13.150  -6.846  -1.701
   34   HD23  LEU   4          HD23      LEU   4  12.499  -6.293  -3.243
   35    H    LEU   5           HN       LEU   5   8.953  -6.805  -1.389
   36    HA   LEU   5           HA       LEU   5   7.263  -8.217   0.502
   37    HB2  LEU   5           HB2      LEU   5   7.498  -5.654   0.276
   38    HB3  LEU   5           HB1      LEU   5   6.576  -5.824  -1.199
   39    HG   LEU   5           HG       LEU   5   4.750  -6.869   0.204
   40   HD11  LEU   5          HD11      LEU   5   4.813  -6.384   2.597
   41   HD12  LEU   5          HD12      LEU   5   6.457  -5.767   2.422
   42   HD13  LEU   5          HD13      LEU   5   6.116  -7.469   2.115
   43   HD21  LEU   5          HD21      LEU   5   5.547  -4.026   0.821
   44   HD22  LEU   5          HD22      LEU   5   3.934  -4.713   1.008
   45   HD23  LEU   5          HD23      LEU   5   4.649  -4.564  -0.598
   46    H    THR   6           HN       THR   6   5.719  -9.663  -0.228
   47    HA   THR   6           HA       THR   6   5.458  -9.802  -3.120
   48    HB   THR   6           HB       THR   6   4.563 -12.072  -2.811
   49    HG1  THR   6           HG1      THR   6   5.145 -11.712  -0.032
   50   HG21  THR   6          HG21      THR   6   6.986 -11.803  -3.072
   51   HG22  THR   6          HG22      THR   6   6.619 -13.157  -2.006
   52   HG23  THR   6          HG23      THR   6   7.159 -11.622  -1.325
   53    H    THR   7           HN       THR   7   3.138 -10.867  -3.657
   54    HA   THR   7           HA       THR   7   1.253  -8.888  -3.462
   55    HB   THR   7           HB       THR   7   0.681 -11.834  -3.788
   56    HG1  THR   7           HG1      THR   7   1.108 -10.905  -6.144
   57   HG21  THR   7          HG21      THR   7  -0.532  -9.332  -5.009
   58   HG22  THR   7          HG22      THR   7  -1.259 -10.277  -3.719
   59   HG23  THR   7          HG23      THR   7  -1.058 -10.987  -5.323
   60    H    ASP   8           HN       ASP   8   1.370 -11.986  -1.663
   61    HA   ASP   8           HA       ASP   8  -0.838 -11.534  -0.016
   62    HB2  ASP   8           HB2      ASP   8   0.088 -13.737  -0.172
   63    HB3  ASP   8           HB1      ASP   8   1.636 -13.189   0.464
   64    H    ASP   9           HN       ASP   9   2.554 -10.740   0.502
   65    HA   ASP   9           HA       ASP   9   2.268  -9.867   3.200
   66    HB2  ASP   9           HB2      ASP   9   4.353  -8.913   1.227
   67    HB3  ASP   9           HB1      ASP   9   4.431  -8.773   2.968
   68    H    LEU  10           HN       LEU  10   2.126  -8.234   0.113
   69    HA   LEU  10           HA       LEU  10   1.796  -5.594   1.070
   70    HB2  LEU  10           HB2      LEU  10   2.431  -6.171  -1.253
   71    HB3  LEU  10           HB1      LEU  10   0.856  -6.886  -1.504
   72    HG   LEU  10           HG       LEU  10  -0.155  -4.618  -1.170
   73   HD11  LEU  10          HD11      LEU  10   1.292  -2.662  -1.348
   74   HD12  LEU  10          HD12      LEU  10   2.712  -3.705  -1.270
   75   HD13  LEU  10          HD13      LEU  10   1.627  -3.588   0.115
   76   HD21  LEU  10          HD21      LEU  10   0.219  -5.526  -3.397
   77   HD22  LEU  10          HD22      LEU  10   1.863  -4.887  -3.392
   78   HD23  LEU  10          HD23      LEU  10   0.490  -3.782  -3.379
   79    H    ARG  11           HN       ARG  11  -0.479  -8.040  -0.101
   80    HA   ARG  11           HA       ARG  11  -2.869  -6.738   0.287
   81    HB2  ARG  11           HB2      ARG  11  -2.633  -8.901  -0.884
   82    HB3  ARG  11           HB1      ARG  11  -2.384  -9.696   0.666
   83    HG2  ARG  11           HG2      ARG  11  -4.619  -9.073   1.374
   84    HG3  ARG  11           HG1      ARG  11  -4.866  -8.189  -0.133
   85    HD2  ARG  11           HD2      ARG  11  -5.951 -10.301  -0.327
   86    HD3  ARG  11           HD1      ARG  11  -4.527 -10.319  -1.359
   87    HE   ARG  11           HE       ARG  11  -4.248 -11.473   1.306
   88   HH11  ARG  11          HH11      ARG  11  -4.340 -12.016  -2.182
   89   HH12  ARG  11          HH12      ARG  11  -4.259 -13.722  -2.020
   90   HH21  ARG  11          HH21      ARG  11  -4.046 -13.750   1.464
   91   HH22  ARG  11          HH22      ARG  11  -4.079 -14.711   0.027
   92    H    ARG  12           HN       ARG  12  -1.135  -8.810   2.588
   93    HA   ARG  12           HA       ARG  12  -2.986  -8.637   4.640
   94    HB2  ARG  12           HB2      ARG  12  -0.018  -9.083   4.749
   95    HB3  ARG  12           HB1      ARG  12  -1.051  -9.159   6.168
   96    HG2  ARG  12           HG2      ARG  12  -2.345 -10.965   5.101
   97    HG3  ARG  12           HG1      ARG  12  -1.240 -10.908   3.727
   98    HD2  ARG  12           HD2      ARG  12  -0.421 -11.480   6.574
   99    HD3  ARG  12           HD1      ARG  12  -0.711 -12.709   5.344
  100    HE   ARG  12           HE       ARG  12   1.160 -11.994   4.181
  101   HH11  ARG  12          HH11      ARG  12   0.816 -10.414   7.364
  102   HH12  ARG  12          HH12      ARG  12   2.437  -9.890   7.428
  103   HH21  ARG  12          HH21      ARG  12   3.496 -11.238   4.380
  104   HH22  ARG  12          HH22      ARG  12   3.902 -10.353   5.782
  105    H    ALA  13           HN       ALA  13  -0.154  -6.590   4.056
  106    HA   ALA  13           HA       ALA  13  -0.481  -4.980   6.340
  107    HB1  ALA  13           HB1      ALA  13   1.031  -3.409   5.233
  108    HB2  ALA  13           HB2      ALA  13   0.797  -4.256   3.704
  109    HB3  ALA  13           HB3      ALA  13   1.599  -5.069   5.050
  110    H    LEU  14           HN       LEU  14  -1.669  -4.590   3.005
  111    HA   LEU  14           HA       LEU  14  -2.947  -2.169   3.422
  112    HB2  LEU  14           HB2      LEU  14  -3.132  -4.378   1.436
  113    HB3  LEU  14           HB1      LEU  14  -4.336  -3.114   1.416
  114    HG   LEU  14           HG       LEU  14  -2.398  -2.954  -0.171
  115   HD11  LEU  14          HD11      LEU  14  -2.914  -0.622   1.702
  116   HD12  LEU  14          HD12      LEU  14  -3.892  -1.050   0.298
  117   HD13  LEU  14          HD13      LEU  14  -2.238  -0.471   0.080
  118   HD21  LEU  14          HD21      LEU  14  -0.545  -3.448   1.295
  119   HD22  LEU  14          HD22      LEU  14  -0.918  -2.044   2.293
  120   HD23  LEU  14          HD23      LEU  14  -0.350  -1.822   0.637
  121    H    VAL  15           HN       VAL  15  -4.203  -5.519   3.645
  122    HA   VAL  15           HA       VAL  15  -6.753  -4.546   4.381
  123    HB   VAL  15           HB       VAL  15  -6.452  -6.781   3.296
  124   HG11  VAL  15          HG11      VAL  15  -5.953  -8.745   4.603
  125   HG12  VAL  15          HG12      VAL  15  -5.515  -7.711   5.976
  126   HG13  VAL  15          HG13      VAL  15  -4.605  -7.618   4.459
  127   HG21  VAL  15          HG21      VAL  15  -8.214  -7.959   4.534
  128   HG22  VAL  15          HG22      VAL  15  -8.577  -6.251   4.286
  129   HG23  VAL  15          HG23      VAL  15  -8.019  -6.814   5.862
  130    H    GLU  16           HN       GLU  16  -3.944  -4.870   6.162
  131    HA   GLU  16           HA       GLU  16  -5.259  -4.807   8.719
  132    HB2  GLU  16           HB2      GLU  16  -2.424  -4.147   7.933
  133    HB3  GLU  16           HB1      GLU  16  -3.020  -4.115   9.583
  134    HG2  GLU  16           HG2      GLU  16  -3.541  -6.507   9.410
  135    HG3  GLU  16           HG1      GLU  16  -2.856  -6.508   7.781
  136    H    SER  17           HN       SER  17  -4.440  -2.538   6.278
  137    HA   SER  17           HA       SER  17  -4.613  -0.269   8.052
  138    HB2  SER  17           HB2      SER  17  -4.449  -0.368   5.028
  139    HB3  SER  17           HB1      SER  17  -4.240   1.058   6.040
  140    HG   SER  17           HG       SER  17  -2.578  -1.261   6.099
  141    H    ALA  18           HN       ALA  18  -6.406  -1.245   5.095
  142    HA   ALA  18           HA       ALA  18  -8.652   0.357   5.900
  143    HB1  ALA  18           HB1      ALA  18  -9.679  -0.350   3.813
  144    HB2  ALA  18           HB2      ALA  18  -8.396  -1.531   3.563
  145    HB3  ALA  18           HB3      ALA  18  -8.025   0.194   3.532
  146    H    GLY  19           HN       GLY  19  -9.821  -0.355   7.493
  147    HA2  GLY  19           HA2      GLY  19 -11.304  -2.800   7.131
  148    HA3  GLY  19           HA1      GLY  19 -10.209  -2.825   8.509
  149    H    GLU  20           HN       GLU  20 -10.333  -0.728   9.824
  150    HA   GLU  20           HA       GLU  20 -13.116  -0.515  10.633
  151    HB2  GLU  20           HB2      GLU  20 -10.589   0.390  12.016
  152    HB3  GLU  20           HB1      GLU  20 -12.206   0.393  12.717
  153    HG2  GLU  20           HG2      GLU  20 -12.296  -2.058  12.396
  154    HG3  GLU  20           HG1      GLU  20 -10.623  -2.012  11.850
  155    H    THR  21           HN       THR  21 -11.565   0.924   8.418
  156    HA   THR  21           HA       THR  21 -12.648   3.573   8.945
  157    HB   THR  21           HB       THR  21 -11.150   4.047   6.832
  158    HG1  THR  21           HG1      THR  21  -9.193   2.600   7.192
  159   HG21  THR  21          HG21      THR  21  -9.247   4.552   8.303
  160   HG22  THR  21          HG22      THR  21  -9.954   3.534   9.561
  161   HG23  THR  21          HG23      THR  21 -10.773   5.011   9.054
  162    H    ASP  22           HN       ASP  22 -14.095   1.267   8.339
  163    HA   ASP  22           HA       ASP  22 -15.534   0.204   7.001
  164    HB2  ASP  22           HB2      ASP  22 -16.598   2.538   7.336
  165    HB3  ASP  22           HB1      ASP  22 -16.056   2.836   5.679
  166    H    GLY  23           HN       GLY  23 -14.042  -1.019   5.890
  167    HA2  GLY  23           HA2      GLY  23 -14.008  -0.442   3.057
  168    HA3  GLY  23           HA1      GLY  23 -12.433  -0.453   3.837
  169    H    THR  24           HN       THR  24 -14.404  -2.232   2.072
  170    HA   THR  24           HA       THR  24 -13.179  -4.691   3.061
  171    HB   THR  24           HB       THR  24 -15.297  -5.909   2.229
  172    HG1  THR  24           HG1      THR  24 -15.998  -3.465   1.502
  173   HG21  THR  24          HG21      THR  24 -14.774  -5.670   4.616
  174   HG22  THR  24          HG22      THR  24 -16.508  -5.528   4.332
  175   HG23  THR  24          HG23      THR  24 -15.541  -4.084   4.628
  176    H    ASP  25           HN       ASP  25 -13.764  -6.490   1.120
  177    HA   ASP  25           HA       ASP  25 -13.234  -7.264  -0.909
  178    HB2  ASP  25           HB2      ASP  25 -14.261  -4.562  -1.702
  179    HB3  ASP  25           HB1      ASP  25 -13.536  -5.613  -2.915
  180    H    LEU  26           HN       LEU  26 -11.212  -6.050   0.694
  181    HA   LEU  26           HA       LEU  26  -9.339  -5.132  -1.347
  182    HB2  LEU  26           HB2      LEU  26  -9.597  -3.781   0.688
  183    HB3  LEU  26           HB1      LEU  26  -9.093  -5.143   1.660
  184    HG   LEU  26           HG       LEU  26  -6.847  -5.023   0.713
  185   HD11  LEU  26          HD11      LEU  26  -6.224  -3.181  -0.776
  186   HD12  LEU  26          HD12      LEU  26  -7.907  -2.657  -0.845
  187   HD13  LEU  26          HD13      LEU  26  -7.440  -4.215  -1.528
  188   HD21  LEU  26          HD21      LEU  26  -7.416  -3.703   2.676
  189   HD22  LEU  26          HD22      LEU  26  -7.889  -2.360   1.638
  190   HD23  LEU  26          HD23      LEU  26  -6.207  -2.890   1.684
  191    H    SER  27           HN       SER  27 -10.107  -7.822   0.633
  192    HA   SER  27           HA       SER  27  -7.571  -9.111   0.192
  193    HB2  SER  27           HB2      SER  27 -10.167 -10.260   1.234
  194    HB3  SER  27           HB1      SER  27  -8.580 -11.025   1.331
  195    HG   SER  27           HG       SER  27  -9.564  -8.749   2.657
  196    H    GLY  28           HN       GLY  28  -7.322  -9.222  -2.005
  197    HA2  GLY  28           HA2      GLY  28  -8.170 -11.434  -3.388
  198    HA3  GLY  28           HA1      GLY  28  -9.329 -10.165  -3.786
  199    H    ASP  29           HN       ASP  29  -8.735  -9.777  -5.880
  200    HA   ASP  29           HA       ASP  29  -5.933  -9.191  -6.445
  201    HB2  ASP  29           HB2      ASP  29  -7.062 -10.610  -8.072
  202    HB3  ASP  29           HB1      ASP  29  -8.347  -9.423  -8.265
  203    H    PHE  30           HN       PHE  30  -5.178  -7.185  -6.508
  204    HA   PHE  30           HA       PHE  30  -7.022  -4.929  -6.853
  205    HB2  PHE  30           HB2      PHE  30  -6.414  -3.876  -4.716
  206    HB3  PHE  30           HB1      PHE  30  -7.176  -5.436  -4.451
  207    HD1  PHE  30           HD1      PHE  30  -5.657  -7.434  -3.931
  208    HD2  PHE  30           HD2      PHE  30  -4.295  -3.405  -3.811
  209    HE1  PHE  30           HE1      PHE  30  -3.771  -8.109  -2.505
  210    HE2  PHE  30           HE2      PHE  30  -2.416  -4.077  -2.394
  211    HZ   PHE  30           HZ       PHE  30  -2.082  -6.486  -1.858
  212    H    LEU  31           HN       LEU  31  -4.015  -6.302  -7.326
  213    HA   LEU  31           HA       LEU  31  -2.127  -4.359  -6.894
  214    HB2  LEU  31           HB2      LEU  31  -1.715  -6.719  -7.435
  215    HB3  LEU  31           HB1      LEU  31  -2.201  -6.411  -9.089
  216    HG   LEU  31           HG       LEU  31  -0.329  -4.834  -9.286
  217   HD11  LEU  31          HD11      LEU  31   1.488  -4.951  -7.614
  218   HD12  LEU  31          HD12      LEU  31   0.467  -5.964  -6.594
  219   HD13  LEU  31          HD13      LEU  31   0.000  -4.297  -6.932
  220   HD21  LEU  31          HD21      LEU  31   0.372  -7.666  -8.538
  221   HD22  LEU  31          HD22      LEU  31   1.404  -6.571  -9.461
  222   HD23  LEU  31          HD23      LEU  31  -0.146  -7.095 -10.124
  223    H    ASP  32           HN       ASP  32  -4.123  -4.816  -9.782
  224    HA   ASP  32           HA       ASP  32  -2.887  -2.445 -11.034
  225    HB2  ASP  32           HB2      ASP  32  -3.876  -3.069 -13.116
  226    HB3  ASP  32           HB1      ASP  32  -3.241  -4.543 -12.410
  227    H    LEU  33           HN       LEU  33  -5.390  -3.040  -9.033
  228    HA   LEU  33           HA       LEU  33  -7.259  -1.187 -10.251
  229    HB2  LEU  33           HB2      LEU  33  -7.975  -3.294  -9.035
  230    HB3  LEU  33           HB1      LEU  33  -7.398  -2.553  -7.559
  231    HG   LEU  33           HG       LEU  33  -9.078  -0.772  -7.792
  232   HD11  LEU  33          HD11      LEU  33  -9.996  -2.344 -10.199
  233   HD12  LEU  33          HD12      LEU  33  -9.250  -0.746 -10.227
  234   HD13  LEU  33          HD13      LEU  33 -10.834  -0.967  -9.483
  235   HD21  LEU  33          HD21      LEU  33 -10.200  -3.563  -7.979
  236   HD22  LEU  33          HD22      LEU  33 -11.041  -2.152  -7.333
  237   HD23  LEU  33          HD23      LEU  33  -9.610  -2.776  -6.516
  238    H    ARG  34           HN       ARG  34  -7.690   0.873  -9.322
  239    HA   ARG  34           HA       ARG  34  -5.298   1.938  -8.123
  240    HB2  ARG  34           HB2      ARG  34  -7.819   3.416  -8.908
  241    HB3  ARG  34           HB1      ARG  34  -6.338   4.159  -8.356
  242    HG2  ARG  34           HG2      ARG  34  -6.357   4.438 -10.695
  243    HG3  ARG  34           HG1      ARG  34  -5.216   3.133 -10.387
  244    HD2  ARG  34           HD2      ARG  34  -6.716   2.669 -12.317
  245    HD3  ARG  34           HD1      ARG  34  -6.843   1.488 -11.015
  246    HE   ARG  34           HE       ARG  34  -8.903   2.490 -10.300
  247   HH11  ARG  34          HH11      ARG  34  -7.844   3.634 -13.482
  248   HH12  ARG  34          HH12      ARG  34  -9.402   4.172 -13.920
  249   HH21  ARG  34          HH21      ARG  34 -10.942   3.105 -10.900
  250   HH22  ARG  34          HH22      ARG  34 -11.270   3.833 -12.413
  251    H    PHE  35           HN       PHE  35  -5.211   3.182  -6.258
  252    HA   PHE  35           HA       PHE  35  -6.369   2.095  -4.001
  253    HB2  PHE  35           HB2      PHE  35  -5.087   4.789  -4.400
  254    HB3  PHE  35           HB1      PHE  35  -5.658   4.239  -2.829
  255    HD1  PHE  35           HD1      PHE  35  -4.804   1.780  -2.211
  256    HD2  PHE  35           HD2      PHE  35  -2.866   4.463  -4.876
  257    HE1  PHE  35           HE1      PHE  35  -2.670   0.627  -1.811
  258    HE2  PHE  35           HE2      PHE  35  -0.730   3.312  -4.488
  259    HZ   PHE  35           HZ       PHE  35  -0.629   1.390  -2.953
  260    H    GLU  36           HN       GLU  36  -7.454   4.899  -5.821
  261    HA   GLU  36           HA       GLU  36  -9.548   5.762  -4.225
  262    HB2  GLU  36           HB2      GLU  36 -10.585   6.644  -6.305
  263    HB3  GLU  36           HB1      GLU  36  -8.882   7.043  -6.146
  264    HG2  GLU  36           HG2      GLU  36  -8.293   5.324  -7.741
  265    HG3  GLU  36           HG1      GLU  36  -9.970   4.803  -7.839
  266    H    ASP  37           HN       ASP  37  -9.429   2.891  -6.198
  267    HA   ASP  37           HA       ASP  37 -12.311   2.538  -6.164
  268    HB2  ASP  37           HB2      ASP  37 -10.151   0.662  -7.148
  269    HB3  ASP  37           HB1      ASP  37 -11.873   0.472  -7.417
  270    H    ILE  38           HN       ILE  38  -9.508   1.528  -4.436
  271    HA   ILE  38           HA       ILE  38 -11.070  -0.502  -3.050
  272    HB   ILE  38           HB       ILE  38  -8.906  -1.263  -2.026
  273   HG12  ILE  38          HG12      ILE  38  -7.700   0.628  -4.069
  274   HG13  ILE  38          HG11      ILE  38  -7.609   0.812  -2.323
  275   HG21  ILE  38          HG21      ILE  38  -9.898  -2.424  -3.884
  276   HG22  ILE  38          HG22      ILE  38  -8.138  -2.416  -4.056
  277   HG23  ILE  38          HG23      ILE  38  -9.128  -1.316  -5.020
  278   HD11  ILE  38          HD11      ILE  38  -6.371  -1.409  -3.943
  279   HD12  ILE  38          HD12      ILE  38  -6.276  -1.243  -2.190
  280   HD13  ILE  38          HD13      ILE  38  -5.523  -0.036  -3.233
  281    H    GLY  39           HN       GLY  39 -11.273   2.366  -2.656
  282    HA2  GLY  39           HA2      GLY  39 -12.031   3.630  -0.879
  283    HA3  GLY  39           HA1      GLY  39 -11.782   2.233   0.146
  284    H    TYR  40           HN       TYR  40  -9.102   3.495  -1.666
  285    HA   TYR  40           HA       TYR  40  -8.019   4.399   0.870
  286    HB2  TYR  40           HB2      TYR  40  -6.714   3.321  -1.564
  287    HB3  TYR  40           HB1      TYR  40  -5.815   4.430  -0.531
  288    HD1  TYR  40           HD1      TYR  40  -7.400   1.135  -0.736
  289    HD2  TYR  40           HD2      TYR  40  -5.168   3.831   1.658
  290    HE1  TYR  40           HE1      TYR  40  -6.897  -0.672   0.832
  291    HE2  TYR  40           HE2      TYR  40  -4.657   2.037   3.227
  292    HH   TYR  40           HH       TYR  40  -5.279  -1.217   2.508
  293    H    ASP  41           HN       ASP  41  -8.535   6.312   1.213
  294    HA   ASP  41           HA       ASP  41  -8.207   8.386  -0.796
  295    HB2  ASP  41           HB2      ASP  41  -9.107   8.484   2.093
  296    HB3  ASP  41           HB1      ASP  41  -8.897   9.916   1.098
  297    H    SER  42           HN       SER  42  -7.079  10.386   0.087
  298    HA   SER  42           HA       SER  42  -4.391  10.101   0.272
  299    HB2  SER  42           HB2      SER  42  -4.511  12.400   1.177
  300    HB3  SER  42           HB1      SER  42  -5.509  12.145  -0.264
  301    H    LEU  43           HN       LEU  43  -6.681  10.527   2.907
  302    HA   LEU  43           HA       LEU  43  -4.908  10.592   5.078
  303    HB2  LEU  43           HB2      LEU  43  -7.253  11.305   5.137
  304    HB3  LEU  43           HB1      LEU  43  -7.744   9.623   5.057
  305    HG   LEU  43           HG       LEU  43  -6.730   9.183   7.226
  306   HD11  LEU  43          HD11      LEU  43  -4.862  10.773   7.083
  307   HD12  LEU  43          HD12      LEU  43  -5.792  11.015   8.562
  308   HD13  LEU  43          HD13      LEU  43  -5.996  12.119   7.202
  309   HD21  LEU  43          HD21      LEU  43  -9.006   9.963   7.116
  310   HD22  LEU  43          HD22      LEU  43  -8.417  11.631   7.142
  311   HD23  LEU  43          HD23      LEU  43  -8.201  10.596   8.567
  312    H    ALA  44           HN       ALA  44  -6.727   7.875   3.712
  313    HA   ALA  44           HA       ALA  44  -5.750   5.946   5.516
  314    HB1  ALA  44           HB1      ALA  44  -6.617   4.288   3.945
  315    HB2  ALA  44           HB2      ALA  44  -6.779   5.534   2.708
  316    HB3  ALA  44           HB3      ALA  44  -7.770   5.603   4.163
  317    H    LEU  45           HN       LEU  45  -4.564   7.133   2.443
  318    HA   LEU  45           HA       LEU  45  -2.601   5.172   2.055
  319    HB2  LEU  45           HB2      LEU  45  -2.778   7.983   1.026
  320    HB3  LEU  45           HB1      LEU  45  -1.499   6.874   0.569
  321    HG   LEU  45           HG       LEU  45  -4.442   6.465   0.044
  322   HD11  LEU  45          HD11      LEU  45  -3.446   8.225  -1.318
  323   HD12  LEU  45          HD12      LEU  45  -3.822   6.788  -2.283
  324   HD13  LEU  45          HD13      LEU  45  -2.155   7.118  -1.804
  325   HD21  LEU  45          HD21      LEU  45  -3.699   4.550  -1.282
  326   HD22  LEU  45          HD22      LEU  45  -3.268   4.365   0.417
  327   HD23  LEU  45          HD23      LEU  45  -2.038   4.831  -0.760
  328    H    MET  46           HN       MET  46  -2.445   8.263   3.782
  329    HA   MET  46           HA       MET  46   0.355   7.991   4.235
  330    HB2  MET  46           HB2      MET  46   0.224   9.771   5.894
  331    HB3  MET  46           HB1      MET  46  -0.739  10.217   4.501
  332    HG2  MET  46           HG2      MET  46  -2.759   9.817   5.654
  333    HG3  MET  46           HG1      MET  46  -1.928   9.000   6.969
  334    HE1  MET  46           HE1      MET  46  -0.052  11.984   8.704
  335    HE2  MET  46           HE2      MET  46   0.573  10.938   7.431
  336    HE3  MET  46           HE3      MET  46  -0.384  10.253   8.744
  337    H    GLU  47           HN       GLU  47  -2.469   6.778   5.868
  338    HA   GLU  47           HA       GLU  47  -1.233   5.923   8.250
  339    HB2  GLU  47           HB2      GLU  47  -3.568   4.656   6.789
  340    HB3  GLU  47           HB1      GLU  47  -3.139   4.380   8.470
  341    HG2  GLU  47           HG2      GLU  47  -3.582   6.785   8.909
  342    HG3  GLU  47           HG1      GLU  47  -4.139   6.940   7.244
  343    H    THR  48           HN       THR  48  -1.967   4.187   5.245
  344    HA   THR  48           HA       THR  48  -0.672   1.806   5.802
  345    HB   THR  48           HB       THR  48  -1.104   3.204   3.152
  346    HG1  THR  48           HG1      THR  48  -2.651   1.454   4.748
  347   HG21  THR  48          HG21      THR  48   0.466   1.300   2.979
  348   HG22  THR  48          HG22      THR  48  -1.073   0.948   2.194
  349   HG23  THR  48          HG23      THR  48  -0.716   0.263   3.781
  350    H    ALA  49           HN       ALA  49   0.568   4.645   3.969
  351    HA   ALA  49           HA       ALA  49   3.059   3.637   3.313
  352    HB1  ALA  49           HB1      ALA  49   3.749   5.938   2.929
  353    HB2  ALA  49           HB2      ALA  49   2.374   6.523   3.868
  354    HB3  ALA  49           HB3      ALA  49   2.105   5.678   2.344
  355    H    ALA  50           HN       ALA  50   2.252   5.696   6.123
  356    HA   ALA  50           HA       ALA  50   4.846   5.798   7.192
  357    HB1  ALA  50           HB1      ALA  50   3.082   7.378   7.790
  358    HB2  ALA  50           HB2      ALA  50   3.760   6.610   9.229
  359    HB3  ALA  50           HB3      ALA  50   2.196   6.088   8.601
  360    H    ARG  51           HN       ARG  51   2.271   3.484   7.558
  361    HA   ARG  51           HA       ARG  51   3.369   2.108   9.789
  362    HB2  ARG  51           HB2      ARG  51   0.979   2.027   9.143
  363    HB3  ARG  51           HB1      ARG  51   1.422   1.134   7.697
  364    HG2  ARG  51           HG2      ARG  51   2.319  -0.662   9.120
  365    HG3  ARG  51           HG1      ARG  51   1.762   0.227  10.541
  366    HD2  ARG  51           HD2      ARG  51   0.055  -0.834   8.297
  367    HD3  ARG  51           HD1      ARG  51   0.164  -1.490   9.927
  368    HE   ARG  51           HE       ARG  51  -0.642   1.277   9.838
  369   HH11  ARG  51          HH11      ARG  51  -1.750  -2.065   9.902
  370   HH12  ARG  51          HH12      ARG  51  -3.379  -1.650  10.246
  371   HH21  ARG  51          HH21      ARG  51  -2.840   1.830  10.329
  372   HH22  ARG  51          HH22      ARG  51  -3.984   0.585  10.548
  373    H    LEU  52           HN       LEU  52   3.399   1.653   6.293
  374    HA   LEU  52           HA       LEU  52   4.773  -0.783   6.196
  375    HB2  LEU  52           HB2      LEU  52   4.722   1.454   4.184
  376    HB3  LEU  52           HB1      LEU  52   5.343  -0.152   3.869
  377    HG   LEU  52           HG       LEU  52   2.480   0.510   4.549
  378   HD11  LEU  52          HD11      LEU  52   2.031  -0.054   2.223
  379   HD12  LEU  52          HD12      LEU  52   3.760  -0.264   1.941
  380   HD13  LEU  52          HD13      LEU  52   3.119   1.326   2.356
  381   HD21  LEU  52          HD21      LEU  52   3.757  -2.082   3.702
  382   HD22  LEU  52          HD22      LEU  52   2.030  -1.803   3.925
  383   HD23  LEU  52          HD23      LEU  52   3.126  -1.711   5.305
  384    H    GLU  53           HN       GLU  53   5.947   2.549   6.165
  385    HA   GLU  53           HA       GLU  53   8.653   2.036   5.728
  386    HB2  GLU  53           HB2      GLU  53   7.433   4.211   7.430
  387    HB3  GLU  53           HB1      GLU  53   9.110   4.166   6.923
  388    HG2  GLU  53           HG2      GLU  53   8.347   4.249   4.583
  389    HG3  GLU  53           HG1      GLU  53   6.693   4.439   5.162
  390    H    SER  54           HN       SER  54   6.980   2.459   8.787
  391    HA   SER  54           HA       SER  54   9.147   1.934  10.457
  392    HB2  SER  54           HB2      SER  54   6.219   1.506  11.034
  393    HB3  SER  54           HB1      SER  54   7.504   1.843  12.201
  394    HG   SER  54           HG       SER  54   6.162   3.549  10.477
  395    H    ARG  55           HN       ARG  55   6.493  -0.230   9.409
  396    HA   ARG  55           HA       ARG  55   7.413  -2.416  10.920
  397    HB2  ARG  55           HB2      ARG  55   5.081  -2.242  10.258
  398    HB3  ARG  55           HB1      ARG  55   5.530  -2.430   8.563
  399    HG2  ARG  55           HG2      ARG  55   6.453  -4.638   9.069
  400    HG3  ARG  55           HG1      ARG  55   5.947  -4.453  10.741
  401    HD2  ARG  55           HD2      ARG  55   3.606  -4.310   9.984
  402    HD3  ARG  55           HD1      ARG  55   4.162  -4.538   8.322
  403    HE   ARG  55           HE       ARG  55   5.272  -6.614   9.613
  404   HH11  ARG  55          HH11      ARG  55   1.961  -5.487   9.338
  405   HH12  ARG  55          HH12      ARG  55   1.241  -6.993   9.565
  406   HH21  ARG  55          HH21      ARG  55   4.395  -8.685   9.906
  407   HH22  ARG  55          HH22      ARG  55   2.713  -8.936   9.945
  408    H    TYR  56           HN       TYR  56   7.769  -1.732   7.419
  409    HA   TYR  56           HA       TYR  56   9.206  -4.241   7.238
  410    HB2  TYR  56           HB2      TYR  56   8.232  -2.379   5.082
  411    HB3  TYR  56           HB1      TYR  56   9.170  -3.841   4.768
  412    HD1  TYR  56           HD2      TYR  56   8.191  -6.058   5.735
  413    HD2  TYR  56           HD1      TYR  56   5.936  -2.497   5.218
  414    HE1  TYR  56           HE2      TYR  56   6.125  -7.377   5.754
  415    HE2  TYR  56           HE1      TYR  56   3.862  -3.795   5.233
  416    HH   TYR  56           HH       TYR  56   3.647  -6.976   6.253
  417    H    GLY  57           HN       GLY  57   9.955  -0.935   7.474
  418    HA2  GLY  57           HA2      GLY  57  12.099  -0.121   7.825
  419    HA3  GLY  57           HA1      GLY  57  12.750  -1.659   7.266
  420    H    VAL  58           HN       VAL  58  10.690   0.851   5.973
  421    HA   VAL  58           HA       VAL  58  12.479   1.049   3.688
  422    HB   VAL  58           HB       VAL  58  10.591   1.329   2.113
  423   HG11  VAL  58          HG11      VAL  58  11.593  -0.859   2.278
  424   HG12  VAL  58          HG12      VAL  58   9.858  -0.989   1.972
  425   HG13  VAL  58          HG13      VAL  58  10.493  -1.279   3.592
  426   HG21  VAL  58          HG21      VAL  58   8.315   0.679   2.748
  427   HG22  VAL  58          HG22      VAL  58   8.871   2.085   3.659
  428   HG23  VAL  58          HG23      VAL  58   8.840   0.495   4.421
  429    H    SER  59           HN       SER  59  11.807   3.051   2.360
  430    HA   SER  59           HA       SER  59  10.962   5.175   4.162
  431    HB2  SER  59           HB2      SER  59  13.173   5.330   2.084
  432    HB3  SER  59           HB1      SER  59  12.683   6.607   3.196
  433    HG   SER  59           HG       SER  59  13.996   4.171   3.747
  434    H    ILE  60           HN       ILE  60   9.079   5.792   3.326
  435    HA   ILE  60           HA       ILE  60   8.668   5.586   0.432
  436    HB   ILE  60           HB       ILE  60   6.591   5.920   2.624
  437   HG12  ILE  60          HG12      ILE  60   7.295   3.497   0.947
  438   HG13  ILE  60          HG11      ILE  60   7.655   3.700   2.657
  439   HG21  ILE  60          HG21      ILE  60   6.246   5.438  -0.344
  440   HG22  ILE  60          HG22      ILE  60   5.886   6.937   0.512
  441   HG23  ILE  60          HG23      ILE  60   4.942   5.484   0.844
  442   HD11  ILE  60          HD11      ILE  60   5.270   3.736   3.152
  443   HD12  ILE  60          HD12      ILE  60   5.735   2.256   2.313
  444   HD13  ILE  60          HD13      ILE  60   4.911   3.545   1.437
  445    HA   PRO  61           HA       PRO  61   9.330  10.038   0.781
  446    HB2  PRO  61           HB2      PRO  61   9.065   9.762  -2.163
  447    HB3  PRO  61           HB1      PRO  61  10.349  10.531  -1.224
  448    HG2  PRO  61           HG2      PRO  61  10.775   8.206  -2.428
  449    HG3  PRO  61           HG1      PRO  61  11.428   8.519  -0.808
  450    HD2  PRO  61           HD2      PRO  61   9.005   6.954  -1.602
  451    HD3  PRO  61           HD1      PRO  61  10.257   6.560  -0.402
  452    H    ASP  62           HN       ASP  62   7.757  11.444   1.026
  453    HA   ASP  62           HA       ASP  62   5.071  10.735   0.706
  454    HB2  ASP  62           HB2      ASP  62   4.479  13.007   1.439
  455    HB3  ASP  62           HB1      ASP  62   5.726  12.295   2.449
  456    H    ASP  63           HN       ASP  63   7.159  12.398  -1.500
  457    HA   ASP  63           HA       ASP  63   5.064  13.422  -3.153
  458    HB2  ASP  63           HB2      ASP  63   7.314  14.349  -3.315
  459    HB3  ASP  63           HB1      ASP  63   7.954  12.781  -3.798
  460    H    VAL  64           HN       VAL  64   6.774  10.426  -2.903
  461    HA   VAL  64           HA       VAL  64   5.754   9.310  -5.345
  462    HB   VAL  64           HB       VAL  64   7.121   7.951  -2.994
  463   HG11  VAL  64          HG11      VAL  64   6.580   6.904  -5.779
  464   HG12  VAL  64          HG12      VAL  64   5.790   6.359  -4.302
  465   HG13  VAL  64          HG13      VAL  64   7.517   6.081  -4.531
  466   HG21  VAL  64          HG21      VAL  64   8.532   9.589  -4.083
  467   HG22  VAL  64          HG22      VAL  64   8.195   8.857  -5.654
  468   HG23  VAL  64          HG23      VAL  64   9.094   7.955  -4.432
  469    H    ALA  65           HN       ALA  65   4.954   9.236  -1.944
  470    HA   ALA  65           HA       ALA  65   2.963   7.265  -1.994
  471    HB1  ALA  65           HB1      ALA  65   3.080   9.732  -0.250
  472    HB2  ALA  65           HB2      ALA  65   3.882   8.197   0.087
  473    HB3  ALA  65           HB3      ALA  65   2.120   8.285   0.065
  474    H    GLY  66           HN       GLY  66   2.898  10.619  -2.944
  475    HA2  GLY  66           HA2      GLY  66   0.032  10.588  -3.363
  476    HA3  GLY  66           HA1      GLY  66   1.125  11.926  -3.679
  477    H    ARG  67           HN       ARG  67   2.686   9.512  -5.147
  478    HA   ARG  67           HA       ARG  67   1.441  10.236  -7.710
  479    HB2  ARG  67           HB2      ARG  67   3.481   9.900  -8.792
  480    HB3  ARG  67           HB1      ARG  67   3.998  10.514  -7.233
  481    HG2  ARG  67           HG2      ARG  67   4.518   8.237  -6.501
  482    HG3  ARG  67           HG1      ARG  67   3.950   7.604  -8.040
  483    HD2  ARG  67           HD2      ARG  67   5.698   9.081  -9.134
  484    HD3  ARG  67           HD1      ARG  67   6.354   9.337  -7.518
  485    HE   ARG  67           HE       ARG  67   5.985   6.576  -8.305
  486   HH11  ARG  67          HH11      ARG  67   8.305   9.279  -8.092
  487   HH12  ARG  67          HH12      ARG  67   9.667   8.286  -8.318
  488   HH21  ARG  67          HH21      ARG  67   7.911   5.225  -8.587
  489   HH22  ARG  67          HH22      ARG  67   9.449   5.980  -8.632
  490    H    VAL  68           HN       VAL  68   1.663   7.637  -5.559
  491    HA   VAL  68           HA       VAL  68   1.506   5.624  -7.610
  492    HB   VAL  68           HB       VAL  68   1.478   3.959  -5.755
  493   HG11  VAL  68          HG11      VAL  68   3.591   4.682  -6.674
  494   HG12  VAL  68          HG12      VAL  68   3.741   4.364  -4.943
  495   HG13  VAL  68          HG13      VAL  68   3.643   6.027  -5.529
  496   HG21  VAL  68          HG21      VAL  68   0.350   5.246  -3.994
  497   HG22  VAL  68          HG22      VAL  68   1.733   6.350  -3.923
  498   HG23  VAL  68          HG23      VAL  68   1.931   4.657  -3.463
  499    H    ASP  69           HN       ASP  69  -0.273   5.346  -8.631
  500    HA   ASP  69           HA       ASP  69  -2.868   5.877  -7.410
  501    HB2  ASP  69           HB2      ASP  69  -2.155   4.919 -10.197
  502    HB3  ASP  69           HB1      ASP  69  -3.780   5.287  -9.653
  503    H    THR  70           HN       THR  70  -0.997   3.188  -8.662
  504    HA   THR  70           HA       THR  70  -3.057   1.370  -7.685
  505    HB   THR  70           HB       THR  70  -1.867  -0.299  -9.175
  506    HG1  THR  70           HG1      THR  70  -0.817   1.800 -10.681
  507   HG21  THR  70          HG21      THR  70  -3.965   0.780  -9.858
  508   HG22  THR  70          HG22      THR  70  -2.895   0.539 -11.240
  509   HG23  THR  70          HG23      THR  70  -3.050   2.138 -10.517
  510    HA   PRO  71           HA       PRO  71  -0.313  -0.151  -4.488
  511    HB2  PRO  71           HB2      PRO  71  -1.238  -2.842  -5.391
  512    HB3  PRO  71           HB1      PRO  71  -1.239  -2.149  -3.765
  513    HG2  PRO  71           HG2      PRO  71  -3.502  -2.340  -5.102
  514    HG3  PRO  71           HG1      PRO  71  -3.142  -0.869  -4.175
  515    HD2  PRO  71           HD2      PRO  71  -2.955  -1.342  -7.122
  516    HD3  PRO  71           HD1      PRO  71  -3.570   0.076  -6.248
  517    H    ARG  72           HN       ARG  72  -0.341  -1.439  -7.707
  518    HA   ARG  72           HA       ARG  72   1.935  -2.953  -7.982
  519    HB2  ARG  72           HB2      ARG  72   0.367  -2.457  -9.799
  520    HB3  ARG  72           HB1      ARG  72   0.895  -0.783  -9.821
  521    HG2  ARG  72           HG2      ARG  72   3.191  -1.651 -10.415
  522    HG3  ARG  72           HG1      ARG  72   2.430  -3.224 -10.655
  523    HD2  ARG  72           HD2      ARG  72   1.703  -0.667 -12.080
  524    HD3  ARG  72           HD1      ARG  72   2.654  -1.983 -12.755
  525    HE   ARG  72           HE       ARG  72   0.395  -3.250 -12.121
  526   HH11  ARG  72          HH11      ARG  72   0.722  -0.063 -13.642
  527   HH12  ARG  72          HH12      ARG  72  -0.549  -0.297 -14.733
  528   HH21  ARG  72          HH21      ARG  72  -1.370  -3.537 -13.545
  529   HH22  ARG  72          HH22      ARG  72  -1.783  -2.321 -14.697
  530    H    GLU  73           HN       GLU  73   1.645   0.550  -8.198
  531    HA   GLU  73           HA       GLU  73   4.353   1.196  -8.635
  532    HB2  GLU  73           HB2      GLU  73   2.144   2.860  -7.445
  533    HB3  GLU  73           HB1      GLU  73   3.641   3.456  -8.145
  534    HG2  GLU  73           HG2      GLU  73   1.514   1.952  -9.627
  535    HG3  GLU  73           HG1      GLU  73   1.726   3.702  -9.633
  536    H    LEU  74           HN       LEU  74   2.331   1.067  -5.794
  537    HA   LEU  74           HA       LEU  74   4.210   2.153  -3.991
  538    HB2  LEU  74           HB2      LEU  74   1.727   2.127  -3.666
  539    HB3  LEU  74           HB1      LEU  74   1.799   0.403  -3.417
  540    HG   LEU  74           HG       LEU  74   1.503   1.816  -1.335
  541   HD11  LEU  74          HD11      LEU  74   3.921   0.049  -1.396
  542   HD12  LEU  74          HD12      LEU  74   2.250  -0.468  -1.163
  543   HD13  LEU  74          HD13      LEU  74   3.035   0.554   0.043
  544   HD21  LEU  74          HD21      LEU  74   2.997   3.644  -1.941
  545   HD22  LEU  74          HD22      LEU  74   4.374   2.550  -1.890
  546   HD23  LEU  74          HD23      LEU  74   3.487   2.913  -0.410
  547    H    LEU  75           HN       LEU  75   3.322  -1.174  -4.828
  548    HA   LEU  75           HA       LEU  75   4.946  -2.596  -3.077
  549    HB2  LEU  75           HB2      LEU  75   3.216  -3.583  -4.555
  550    HB3  LEU  75           HB1      LEU  75   4.235  -3.262  -5.940
  551    HG   LEU  75           HG       LEU  75   5.918  -4.841  -5.020
  552   HD11  LEU  75          HD11      LEU  75   3.779  -5.429  -2.985
  553   HD12  LEU  75          HD12      LEU  75   5.341  -4.671  -2.670
  554   HD13  LEU  75          HD13      LEU  75   5.266  -6.347  -3.216
  555   HD21  LEU  75          HD21      LEU  75   4.295  -5.581  -6.683
  556   HD22  LEU  75          HD22      LEU  75   3.149  -5.977  -5.400
  557   HD23  LEU  75          HD23      LEU  75   4.662  -6.875  -5.540
  558    H    ASP  76           HN       ASP  76   5.627  -1.322  -6.293
  559    HA   ASP  76           HA       ASP  76   8.258  -2.200  -6.594
  560    HB2  ASP  76           HB2      ASP  76   7.081  -1.285  -8.478
  561    HB3  ASP  76           HB1      ASP  76   6.880   0.262  -7.668
  562    H    LEU  77           HN       LEU  77   7.008   0.757  -5.102
  563    HA   LEU  77           HA       LEU  77   9.493   1.958  -4.554
  564    HB2  LEU  77           HB2      LEU  77   7.276   3.110  -4.552
  565    HB3  LEU  77           HB1      LEU  77   6.838   2.254  -3.100
  566    HG   LEU  77           HG       LEU  77   7.413   4.649  -2.754
  567   HD11  LEU  77          HD11      LEU  77   7.610   3.167  -0.867
  568   HD12  LEU  77          HD12      LEU  77   8.876   4.393  -0.828
  569   HD13  LEU  77          HD13      LEU  77   9.255   2.749  -1.340
  570   HD21  LEU  77          HD21      LEU  77  10.192   3.801  -3.528
  571   HD22  LEU  77          HD22      LEU  77   9.744   5.366  -2.846
  572   HD23  LEU  77          HD23      LEU  77   9.135   4.886  -4.432
  573    H    ILE  78           HN       ILE  78   7.466  -0.243  -2.679
  574    HA   ILE  78           HA       ILE  78   8.996  -0.218  -0.286
  575    HB   ILE  78           HB       ILE  78   7.203  -2.436  -1.342
  576   HG12  ILE  78          HG12      ILE  78   5.987  -0.324  -1.163
  577   HG13  ILE  78          HG11      ILE  78   5.454  -1.454   0.075
  578   HG21  ILE  78          HG21      ILE  78   8.647  -3.232   0.447
  579   HG22  ILE  78          HG22      ILE  78   6.988  -3.096   1.036
  580   HG23  ILE  78          HG23      ILE  78   8.177  -1.868   1.458
  581   HD11  ILE  78          HD11      ILE  78   5.641   0.795   0.954
  582   HD12  ILE  78          HD12      ILE  78   7.337   0.857   0.471
  583   HD13  ILE  78          HD13      ILE  78   6.819  -0.270   1.723
  584    H    ASN  79           HN       ASN  79   8.828  -2.556  -2.944
  585    HA   ASN  79           HA       ASN  79  10.805  -4.299  -2.008
  586    HB2  ASN  79           HB2      ASN  79   9.738  -3.815  -4.788
  587    HB3  ASN  79           HB1      ASN  79  10.953  -5.042  -4.453
  588   HD21  ASN  79          HD21      ASN  79   9.478  -6.658  -5.136
  589   HD22  ASN  79          HD22      ASN  79   8.178  -7.140  -4.095
  590    H    GLY  80           HN       GLY  80  11.078  -1.434  -4.020
  591    HA2  GLY  80           HA2      GLY  80  13.751  -1.693  -4.764
  592    HA3  GLY  80           HA1      GLY  80  12.908  -0.164  -4.535
  593    H    ALA  81           HN       ALA  81  12.355  -0.152  -1.905
  594    HA   ALA  81           HA       ALA  81  14.892   0.533  -0.802
  595    HB1  ALA  81           HB1      ALA  81  12.202   0.419   0.563
  596    HB2  ALA  81           HB2      ALA  81  12.867   1.815  -0.289
  597    HB3  ALA  81           HB3      ALA  81  13.647   1.224   1.174
  598    H    LEU  82           HN       LEU  82  12.687  -2.167  -0.401
  599    HA   LEU  82           HA       LEU  82  13.934  -3.345   1.842
  600    HB2  LEU  82           HB2      LEU  82  12.260  -4.548  -0.340
  601    HB3  LEU  82           HB1      LEU  82  12.904  -5.502   0.976
  602    HG   LEU  82           HG       LEU  82  10.981  -3.191   1.260
  603   HD11  LEU  82          HD11      LEU  82   9.382  -4.931   1.891
  604   HD12  LEU  82          HD12      LEU  82  10.593  -6.169   1.551
  605   HD13  LEU  82          HD13      LEU  82   9.967  -5.165   0.244
  606   HD21  LEU  82          HD21      LEU  82  12.080  -5.122   3.306
  607   HD22  LEU  82          HD22      LEU  82  10.835  -3.903   3.595
  608   HD23  LEU  82          HD23      LEU  82  12.477  -3.408   3.180
  609    H    ALA  83           HN       ALA  83  14.500  -3.731  -1.602
  610    HA   ALA  83           HA       ALA  83  16.309  -5.866  -1.456
  611    HB1  ALA  83           HB1      ALA  83  15.225  -5.150  -3.526
  612    HB2  ALA  83           HB2      ALA  83  16.978  -5.236  -3.705
  613    HB3  ALA  83           HB3      ALA  83  16.186  -3.672  -3.517
  614    H    GLU  84           HN       GLU  84  16.763  -2.421  -1.082
  615    HA   GLU  84           HA       GLU  84  19.628  -2.581  -1.229
  616    HB2  GLU  84           HB2      GLU  84  17.863  -0.303  -0.354
  617    HB3  GLU  84           HB1      GLU  84  19.588  -0.198  -0.676
  618    HG2  GLU  84           HG2      GLU  84  19.158  -0.857  -3.007
  619    HG3  GLU  84           HG1      GLU  84  17.429  -0.858  -2.660
  620    H    ALA  85           HN       ALA  85  17.336  -3.077   1.212
  621    HA   ALA  85           HA       ALA  85  19.188  -2.363   3.327
  622    HB1  ALA  85           HB1      ALA  85  17.379  -2.893   4.883
  623    HB2  ALA  85           HB2      ALA  85  16.402  -3.508   3.552
  624    HB3  ALA  85           HB3      ALA  85  16.810  -1.793   3.627
  625    H    ALA  86           HN       ALA  86  20.726  -3.912   2.556
  626    HA   ALA  86           HA       ALA  86  20.675  -6.304   4.087
  627    HB1  ALA  86           HB1      ALA  86  20.728  -6.525   1.061
  628    HB2  ALA  86           HB2      ALA  86  19.436  -7.105   2.111
  629    HB3  ALA  86           HB3      ALA  86  21.034  -7.848   2.187
  630    H28  SXH  87          H28B      SXH  87  -4.482  12.548   3.231
  631   H28A  SXH  87          H28A      SXH  87  -5.096  13.722   4.398
  632    H30  SXH  87          H30C      SXH  87  -2.821  13.260   5.421
  633   H30A  SXH  87          H30A      SXH  87  -1.362  13.714   4.545
  634   H30B  SXH  87          H30B      SXH  87  -2.314  12.333   4.006
  635    H31  SXH  87          H31A      SXH  87  -1.546  14.716   2.250
  636   H31A  SXH  87          H31C      SXH  87  -2.423  13.251   1.812
  637   H31B  SXH  87          H31B      SXH  87  -3.141  14.835   1.494
  638    H32  SXH  87          H32A      SXH  87  -3.756  15.678   5.122
  639   HO33  SXH  87          H33A      SXH  87  -3.345  17.229   3.059
  640   HN36  SXH  87          H36A      SXH  87  -1.663  15.543   6.100
  641    H37  SXH  87          H37A      SXH  87   0.759  16.593   4.908
  642   H37A  SXH  87          H37B      SXH  87  -0.055  17.739   5.933
  643    H38  SXH  87          H38A      SXH  87   1.572  16.704   7.262
  644   H38A  SXH  87          H38B      SXH  87  -0.021  16.179   7.846
  645   HN41  SXH  87          H41A      SXH  87   1.266  14.822   4.995
  646    H42  SXH  87          H42A      SXH  87   3.003  12.889   5.598
  647   H42A  SXH  87          H42B      SXH  87   1.438  12.145   5.990
  648    H43  SXH  87          H43A      SXH  87   0.683  12.522   3.729
  649   H43A  SXH  87          H43B      SXH  87   2.295  11.766   3.598
  650    H2   SXH  87           H2A      SXH  87   1.505  11.602   2.088
  651    H2A  SXH  87           H2B      SXH  87   2.154  11.686   0.451
  652    H3   SXH  87           H3A      SXH  87   0.009  12.555  -0.344
  653    H3A  SXH  87           H3B      SXH  87  -0.632  12.469   1.298
  654    H4   SXH  87           H4B      SXH  87   0.344  10.138  -0.349
  655    H4A  SXH  87           H4A      SXH  87  -0.258  10.041   1.305
  656    H5   SXH  87           H5A      SXH  87  -2.442  10.921   0.529
  657    H5A  SXH  87           H5B      SXH  87  -2.007   9.402  -0.271
  658    H6   SXH  87           H6C      SXH  87  -1.655  12.180  -1.403
  659    H6A  SXH  87           H6A      SXH  87  -2.905  11.025  -1.866
  660    H6B  SXH  87           H6B      SXH  87  -1.211  10.677  -2.212
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  11.332  -9.103  10.243
    2    H2   MET   1           HT2      MET   1  10.203  -8.189   9.345
    3    H3   MET   1           HT3      MET   1  11.814  -8.204   8.892
    4    HA   MET   1           HA       MET   1  11.718 -10.506   8.320
    5    HB2  MET   1           HB2      MET   1   8.809 -10.214   9.123
    6    HB3  MET   1           HB1      MET   1   9.418 -11.544   8.153
    7    HG2  MET   1           HG2      MET   1  10.275 -10.884  10.958
    8    HG3  MET   1           HG1      MET   1   9.127 -12.144  10.502
    9    HE1  MET   1           HE1      MET   1  11.712 -12.641  12.317
   10    HE2  MET   1           HE2      MET   1  12.293 -14.163  11.641
   11    HE3  MET   1           HE3      MET   1  10.564 -13.909  11.884
   12    H    ALA   2           HN       ALA   2  10.056 -11.299   6.431
   13    HA   ALA   2           HA       ALA   2   9.189 -11.050   4.455
   14    HB1  ALA   2           HB1      ALA   2   8.707  -8.136   5.054
   15    HB2  ALA   2           HB2      ALA   2   7.601  -9.450   5.453
   16    HB3  ALA   2           HB3      ALA   2   7.968  -9.088   3.766
   17    H    THR   3           HN       THR   3  11.293 -11.562   3.813
   18    HA   THR   3           HA       THR   3  13.004  -9.564   2.703
   19    HB   THR   3           HB       THR   3  12.751 -12.427   1.876
   20    HG1  THR   3           HG1      THR   3  14.084 -12.951   3.593
   21   HG21  THR   3          HG21      THR   3  15.192 -12.230   1.518
   22   HG22  THR   3          HG22      THR   3  15.117 -10.547   2.040
   23   HG23  THR   3          HG23      THR   3  14.290 -11.049   0.565
   24    H    LEU   4           HN       LEU   4  12.129  -8.319   1.186
   25    HA   LEU   4           HA       LEU   4  11.097  -7.523  -0.603
   26    HB2  LEU   4           HB2      LEU   4  11.199 -10.360  -1.636
   27    HB3  LEU   4           HB1      LEU   4  10.654  -8.990  -2.586
   28    HG   LEU   4           HG       LEU   4  13.431  -9.409  -1.484
   29   HD11  LEU   4          HD11      LEU   4  12.373  -9.449  -4.302
   30   HD12  LEU   4          HD12      LEU   4  12.918 -10.845  -3.373
   31   HD13  LEU   4          HD13      LEU   4  14.068  -9.587  -3.834
   32   HD21  LEU   4          HD21      LEU   4  14.020  -7.385  -2.732
   33   HD22  LEU   4          HD22      LEU   4  12.836  -7.044  -1.473
   34   HD23  LEU   4          HD23      LEU   4  12.325  -7.151  -3.159
   35    H    LEU   5           HN       LEU   5   9.197  -6.815  -0.843
   36    HA   LEU   5           HA       LEU   5   7.074  -7.841   0.764
   37    HB2  LEU   5           HB2      LEU   5   7.616  -5.414   0.303
   38    HB3  LEU   5           HB1      LEU   5   7.041  -5.663  -1.329
   39    HG   LEU   5           HG       LEU   5   4.818  -6.350  -0.247
   40   HD11  LEU   5          HD11      LEU   5   5.619  -6.639   2.006
   41   HD12  LEU   5          HD12      LEU   5   4.390  -5.371   1.932
   42   HD13  LEU   5          HD13      LEU   5   6.092  -4.940   2.070
   43   HD21  LEU   5          HD21      LEU   5   4.089  -4.050  -0.039
   44   HD22  LEU   5          HD22      LEU   5   5.127  -4.269  -1.453
   45   HD23  LEU   5          HD23      LEU   5   5.767  -3.508   0.009
   46    H    THR   6           HN       THR   6   5.695  -9.387   0.045
   47    HA   THR   6           HA       THR   6   5.426  -9.750  -2.839
   48    HB   THR   6           HB       THR   6   4.131 -11.791  -2.252
   49    HG1  THR   6           HG1      THR   6   4.830 -11.178   0.444
   50   HG21  THR   6          HG21      THR   6   6.751 -11.606  -0.771
   51   HG22  THR   6          HG22      THR   6   6.559 -11.986  -2.482
   52   HG23  THR   6          HG23      THR   6   5.947 -13.097  -1.257
   53    H    THR   7           HN       THR   7   3.079 -10.088  -3.589
   54    HA   THR   7           HA       THR   7   1.460  -7.963  -2.913
   55    HB   THR   7           HB       THR   7   0.498 -10.619  -4.021
   56    HG1  THR   7           HG1      THR   7   1.097  -9.804  -6.022
   57   HG21  THR   7          HG21      THR   7  -1.277  -8.978  -3.458
   58   HG22  THR   7          HG22      THR   7  -1.152  -9.204  -5.202
   59   HG23  THR   7          HG23      THR   7  -0.463  -7.768  -4.445
   60    H    ASP   8           HN       ASP   8   1.850 -11.058  -1.404
   61    HA   ASP   8           HA       ASP   8  -0.497 -11.027   0.223
   62    HB2  ASP   8           HB2      ASP   8   2.104 -12.533   0.519
   63    HB3  ASP   8           HB1      ASP   8   0.763 -12.707   1.641
   64    H    ASP   9           HN       ASP   9   2.879 -10.165   0.817
   65    HA   ASP   9           HA       ASP   9   2.518  -9.311   3.523
   66    HB2  ASP   9           HB2      ASP   9   4.600  -8.264   1.567
   67    HB3  ASP   9           HB1      ASP   9   4.620  -8.052   3.299
   68    H    LEU  10           HN       LEU  10   2.280  -7.783   0.437
   69    HA   LEU  10           HA       LEU  10   1.850  -5.119   1.207
   70    HB2  LEU  10           HB2      LEU  10   2.368  -5.896  -1.081
   71    HB3  LEU  10           HB1      LEU  10   0.819  -6.696  -1.159
   72    HG   LEU  10           HG       LEU  10  -0.263  -4.443  -1.002
   73   HD11  LEU  10          HD11      LEU  10   2.559  -3.485  -1.398
   74   HD12  LEU  10          HD12      LEU  10   1.567  -3.240   0.039
   75   HD13  LEU  10          HD13      LEU  10   1.108  -2.487  -1.489
   76   HD21  LEU  10          HD21      LEU  10   0.014  -5.595  -3.127
   77   HD22  LEU  10          HD22      LEU  10   1.627  -4.903  -3.303
   78   HD23  LEU  10          HD23      LEU  10   0.209  -3.854  -3.326
   79    H    ARG  11           HN       ARG  11  -0.413  -7.682   0.263
   80    HA   ARG  11           HA       ARG  11  -2.800  -6.432   0.647
   81    HB2  ARG  11           HB2      ARG  11  -2.625  -8.553  -0.499
   82    HB3  ARG  11           HB1      ARG  11  -2.166  -9.360   0.990
   83    HG2  ARG  11           HG2      ARG  11  -4.327  -9.161   1.887
   84    HG3  ARG  11           HG1      ARG  11  -4.804  -7.967   0.681
   85    HD2  ARG  11           HD2      ARG  11  -5.797 -10.137   0.199
   86    HD3  ARG  11           HD1      ARG  11  -4.675  -9.657  -1.066
   87    HE   ARG  11           HE       ARG  11  -3.426 -11.349   0.875
   88   HH11  ARG  11          HH11      ARG  11  -5.425 -11.358  -2.046
   89   HH12  ARG  11          HH12      ARG  11  -5.168 -13.012  -2.386
   90   HH21  ARG  11          HH21      ARG  11  -3.034 -13.527   0.398
   91   HH22  ARG  11          HH22      ARG  11  -3.746 -14.319  -0.933
   92    H    ARG  12           HN       ARG  12  -1.154  -8.401   3.094
   93    HA   ARG  12           HA       ARG  12  -3.166  -8.064   5.023
   94    HB2  ARG  12           HB2      ARG  12  -0.228  -8.553   5.489
   95    HB3  ARG  12           HB1      ARG  12  -1.479  -8.702   6.713
   96    HG2  ARG  12           HG2      ARG  12  -2.542 -10.454   5.326
   97    HG3  ARG  12           HG1      ARG  12  -1.165 -10.348   4.227
   98    HD2  ARG  12           HD2      ARG  12  -1.060 -11.060   7.149
   99    HD3  ARG  12           HD1      ARG  12  -0.905 -12.184   5.804
  100    HE   ARG  12           HE       ARG  12   1.041 -10.013   6.308
  101   HH11  ARG  12          HH11      ARG  12   0.288 -13.338   5.380
  102   HH12  ARG  12          HH12      ARG  12   1.894 -13.867   5.372
  103   HH21  ARG  12          HH21      ARG  12   3.300 -10.723   6.287
  104   HH22  ARG  12          HH22      ARG  12   3.637 -12.351   5.923
  105    H    ALA  13           HN       ALA  13  -0.265  -6.128   4.467
  106    HA   ALA  13           HA       ALA  13  -0.649  -4.429   6.695
  107    HB1  ALA  13           HB1      ALA  13   1.516  -4.639   5.561
  108    HB2  ALA  13           HB2      ALA  13   0.977  -2.957   5.632
  109    HB3  ALA  13           HB3      ALA  13   0.831  -3.863   4.130
  110    H    LEU  14           HN       LEU  14  -1.561  -4.213   3.322
  111    HA   LEU  14           HA       LEU  14  -2.706  -1.678   3.330
  112    HB2  LEU  14           HB2      LEU  14  -2.837  -4.111   1.613
  113    HB3  LEU  14           HB1      LEU  14  -3.952  -2.801   1.321
  114    HG   LEU  14           HG       LEU  14  -1.740  -3.015  -0.028
  115   HD11  LEU  14          HD11      LEU  14  -1.665  -0.529  -0.249
  116   HD12  LEU  14          HD12      LEU  14  -2.752  -0.436   1.148
  117   HD13  LEU  14          HD13      LEU  14  -3.285  -1.218  -0.332
  118   HD21  LEU  14          HD21      LEU  14  -0.182  -3.071   1.848
  119   HD22  LEU  14          HD22      LEU  14  -0.749  -1.488   2.384
  120   HD23  LEU  14          HD23      LEU  14   0.106  -1.645   0.849
  121    H    VAL  15           HN       VAL  15  -4.251  -4.898   3.580
  122    HA   VAL  15           HA       VAL  15  -6.861  -3.825   3.600
  123    HB   VAL  15           HB       VAL  15  -6.184  -6.182   2.863
  124   HG11  VAL  15          HG11      VAL  15  -6.277  -7.979   4.494
  125   HG12  VAL  15          HG12      VAL  15  -6.313  -6.781   5.788
  126   HG13  VAL  15          HG13      VAL  15  -4.908  -6.891   4.729
  127   HG21  VAL  15          HG21      VAL  15  -8.325  -7.198   3.476
  128   HG22  VAL  15          HG22      VAL  15  -8.525  -5.518   2.965
  129   HG23  VAL  15          HG23      VAL  15  -8.578  -5.933   4.680
  130    H    GLU  16           HN       GLU  16  -4.669  -4.318   6.228
  131    HA   GLU  16           HA       GLU  16  -6.844  -4.120   8.139
  132    HB2  GLU  16           HB2      GLU  16  -3.870  -4.039   8.623
  133    HB3  GLU  16           HB1      GLU  16  -5.097  -4.045   9.875
  134    HG2  GLU  16           HG2      GLU  16  -5.832  -6.257   9.117
  135    HG3  GLU  16           HG1      GLU  16  -4.551  -6.242   7.901
  136    H    SER  17           HN       SER  17  -4.819  -2.015   6.405
  137    HA   SER  17           HA       SER  17  -5.009   0.131   8.310
  138    HB2  SER  17           HB2      SER  17  -2.987  -0.198   6.840
  139    HB3  SER  17           HB1      SER  17  -4.014   0.212   5.463
  140    HG   SER  17           HG       SER  17  -4.105   2.004   7.529
  141    H    ALA  18           HN       ALA  18  -6.747  -1.029   5.510
  142    HA   ALA  18           HA       ALA  18  -8.770   0.969   5.856
  143    HB1  ALA  18           HB1      ALA  18  -7.138   2.191   4.502
  144    HB2  ALA  18           HB2      ALA  18  -8.608   1.821   3.578
  145    HB3  ALA  18           HB3      ALA  18  -7.149   0.845   3.354
  146    H    GLY  19           HN       GLY  19 -10.287   0.694   3.837
  147    HA2  GLY  19           HA2      GLY  19 -10.450  -1.525   2.297
  148    HA3  GLY  19           HA1      GLY  19 -11.174  -1.978   3.848
  149    H    GLU  20           HN       GLU  20 -13.251  -2.079   2.926
  150    HA   GLU  20           HA       GLU  20 -14.395   0.596   2.626
  151    HB2  GLU  20           HB2      GLU  20 -14.000  -0.988   0.450
  152    HB3  GLU  20           HB1      GLU  20 -15.545  -1.618   0.989
  153    HG2  GLU  20           HG2      GLU  20 -14.929   1.232   0.216
  154    HG3  GLU  20           HG1      GLU  20 -15.879   0.068  -0.703
  155    H    THR  21           HN       THR  21 -16.620   0.640   3.386
  156    HA   THR  21           HA       THR  21 -17.005  -1.336   5.430
  157    HB   THR  21           HB       THR  21 -17.379   1.024   6.031
  158    HG1  THR  21           HG1      THR  21 -19.618  -0.697   6.184
  159   HG21  THR  21          HG21      THR  21 -19.712   0.918   4.115
  160   HG22  THR  21          HG22      THR  21 -18.236   1.859   3.905
  161   HG23  THR  21          HG23      THR  21 -19.349   2.248   5.216
  162    H    ASP  22           HN       ASP  22 -17.586  -1.454   2.339
  163    HA   ASP  22           HA       ASP  22 -20.127  -2.657   2.066
  164    HB2  ASP  22           HB2      ASP  22 -18.809  -1.988   0.121
  165    HB3  ASP  22           HB1      ASP  22 -17.549  -3.141   0.547
  166    H    GLY  23           HN       GLY  23 -17.041  -3.729   3.139
  167    HA2  GLY  23           HA2      GLY  23 -17.037  -5.582   4.724
  168    HA3  GLY  23           HA1      GLY  23 -18.155  -6.395   3.626
  169    H    THR  24           HN       THR  24 -17.411  -7.357   1.808
  170    HA   THR  24           HA       THR  24 -14.532  -7.723   1.890
  171    HB   THR  24           HB       THR  24 -15.934  -9.724   2.296
  172    HG1  THR  24           HG1      THR  24 -13.828  -9.622   0.921
  173   HG21  THR  24          HG21      THR  24 -17.853  -9.214   0.865
  174   HG22  THR  24          HG22      THR  24 -17.169 -10.786   0.439
  175   HG23  THR  24          HG23      THR  24 -16.839  -9.377  -0.570
  176    H    ASP  25           HN       ASP  25 -15.352  -5.409   0.670
  177    HA   ASP  25           HA       ASP  25 -15.462  -5.781  -2.187
  178    HB2  ASP  25           HB2      ASP  25 -16.351  -3.700  -1.101
  179    HB3  ASP  25           HB1      ASP  25 -14.697  -3.251  -0.691
  180    H    LEU  26           HN       LEU  26 -13.017  -4.342  -0.088
  181    HA   LEU  26           HA       LEU  26 -10.915  -4.898  -1.951
  182    HB2  LEU  26           HB2      LEU  26 -10.768  -2.898  -0.579
  183    HB3  LEU  26           HB1      LEU  26 -10.916  -3.846   0.886
  184    HG   LEU  26           HG       LEU  26  -8.709  -4.875   0.389
  185   HD11  LEU  26          HD11      LEU  26  -8.688  -4.556  -2.026
  186   HD12  LEU  26          HD12      LEU  26  -7.253  -3.878  -1.261
  187   HD13  LEU  26          HD13      LEU  26  -8.550  -2.812  -1.793
  188   HD21  LEU  26          HD21      LEU  26  -7.388  -2.911   1.002
  189   HD22  LEU  26          HD22      LEU  26  -8.890  -3.003   1.920
  190   HD23  LEU  26          HD23      LEU  26  -8.746  -1.869   0.577
  191    H    SER  27           HN       SER  27 -11.124  -7.156  -2.140
  192    HA   SER  27           HA       SER  27  -9.710  -8.611  -0.086
  193    HB2  SER  27           HB2      SER  27 -12.389  -9.525  -1.148
  194    HB3  SER  27           HB1      SER  27 -11.360 -10.400  -0.015
  195    HG   SER  27           HG       SER  27 -11.707  -8.044   1.032
  196    H    GLY  28           HN       GLY  28  -8.491 -10.179  -0.988
  197    HA2  GLY  28           HA2      GLY  28  -7.989 -11.852  -2.582
  198    HA3  GLY  28           HA1      GLY  28  -9.109 -11.084  -3.699
  199    H    ASP  29           HN       ASP  29  -8.275  -9.959  -5.249
  200    HA   ASP  29           HA       ASP  29  -5.495  -9.067  -4.967
  201    HB2  ASP  29           HB2      ASP  29  -5.661 -10.648  -6.780
  202    HB3  ASP  29           HB1      ASP  29  -7.025  -9.778  -7.477
  203    H    PHE  30           HN       PHE  30  -4.924  -7.096  -5.624
  204    HA   PHE  30           HA       PHE  30  -6.906  -5.152  -6.415
  205    HB2  PHE  30           HB2      PHE  30  -6.552  -3.699  -4.468
  206    HB3  PHE  30           HB1      PHE  30  -7.209  -5.250  -3.966
  207    HD1  PHE  30           HD1      PHE  30  -5.510  -7.000  -3.065
  208    HD2  PHE  30           HD2      PHE  30  -4.637  -2.858  -3.476
  209    HE1  PHE  30           HE1      PHE  30  -3.661  -7.231  -1.475
  210    HE2  PHE  30           HE2      PHE  30  -2.781  -3.090  -1.890
  211    HZ   PHE  30           HZ       PHE  30  -2.284  -5.278  -0.895
  212    H    LEU  31           HN       LEU  31  -4.008  -6.453  -6.890
  213    HA   LEU  31           HA       LEU  31  -2.043  -4.544  -6.466
  214    HB2  LEU  31           HB2      LEU  31  -1.643  -6.910  -7.042
  215    HB3  LEU  31           HB1      LEU  31  -2.150  -6.566  -8.686
  216    HG   LEU  31           HG       LEU  31  -0.302  -4.868  -8.775
  217   HD11  LEU  31          HD11      LEU  31   0.594  -6.287  -6.281
  218   HD12  LEU  31          HD12      LEU  31   0.104  -4.599  -6.425
  219   HD13  LEU  31          HD13      LEU  31   1.570  -5.161  -7.224
  220   HD21  LEU  31          HD21      LEU  31   0.437  -7.775  -8.454
  221   HD22  LEU  31          HD22      LEU  31   1.428  -6.534  -9.236
  222   HD23  LEU  31          HD23      LEU  31  -0.133  -6.967  -9.923
  223    H    ASP  32           HN       ASP  32  -4.264  -4.853  -9.155
  224    HA   ASP  32           HA       ASP  32  -2.815  -2.816 -10.696
  225    HB2  ASP  32           HB2      ASP  32  -3.526  -5.000 -11.697
  226    HB3  ASP  32           HB1      ASP  32  -5.193  -4.499 -11.469
  227    H    LEU  33           HN       LEU  33  -5.213  -2.975  -8.451
  228    HA   LEU  33           HA       LEU  33  -7.130  -1.274  -9.770
  229    HB2  LEU  33           HB2      LEU  33  -7.098  -2.340  -6.955
  230    HB3  LEU  33           HB1      LEU  33  -8.449  -1.552  -7.746
  231    HG   LEU  33           HG       LEU  33  -7.263  -4.234  -8.459
  232   HD11  LEU  33          HD11      LEU  33  -9.946  -3.496  -7.329
  233   HD12  LEU  33          HD12      LEU  33  -8.626  -4.268  -6.452
  234   HD13  LEU  33          HD13      LEU  33  -9.421  -5.119  -7.775
  235   HD21  LEU  33          HD21      LEU  33  -9.546  -2.746  -9.752
  236   HD22  LEU  33          HD22      LEU  33  -9.074  -4.410 -10.099
  237   HD23  LEU  33          HD23      LEU  33  -7.974  -3.085 -10.478
  238    H    ARG  34           HN       ARG  34  -7.778   0.716  -8.964
  239    HA   ARG  34           HA       ARG  34  -5.583   2.431  -8.191
  240    HB2  ARG  34           HB2      ARG  34  -8.529   2.973  -8.569
  241    HB3  ARG  34           HB1      ARG  34  -7.284   4.197  -8.386
  242    HG2  ARG  34           HG2      ARG  34  -7.273   2.182 -10.603
  243    HG3  ARG  34           HG1      ARG  34  -8.089   3.739 -10.728
  244    HD2  ARG  34           HD2      ARG  34  -5.165   3.356 -10.103
  245    HD3  ARG  34           HD1      ARG  34  -5.813   3.743 -11.700
  246    HE   ARG  34           HE       ARG  34  -6.665   5.584  -9.675
  247   HH11  ARG  34          HH11      ARG  34  -4.069   4.925 -11.992
  248   HH12  ARG  34          HH12      ARG  34  -3.486   6.525 -11.956
  249   HH21  ARG  34          HH21      ARG  34  -5.980   7.628  -9.672
  250   HH22  ARG  34          HH22      ARG  34  -4.643   8.194 -10.574
  251    H    PHE  35           HN       PHE  35  -5.134   3.082  -6.105
  252    HA   PHE  35           HA       PHE  35  -6.378   2.041  -3.857
  253    HB2  PHE  35           HB2      PHE  35  -4.794   4.597  -4.134
  254    HB3  PHE  35           HB1      PHE  35  -5.407   4.034  -2.587
  255    HD1  PHE  35           HD1      PHE  35  -4.840   1.343  -2.307
  256    HD2  PHE  35           HD2      PHE  35  -2.584   4.224  -4.460
  257    HE1  PHE  35           HE1      PHE  35  -2.831  -0.050  -2.055
  258    HE2  PHE  35           HE2      PHE  35  -0.575   2.840  -4.211
  259    HZ   PHE  35           HZ       PHE  35  -0.692   0.719  -2.921
  260    H    GLU  36           HN       GLU  36  -6.971   5.129  -5.407
  261    HA   GLU  36           HA       GLU  36  -8.942   6.216  -3.795
  262    HB2  GLU  36           HB2      GLU  36  -9.653   7.468  -5.794
  263    HB3  GLU  36           HB1      GLU  36  -7.900   7.415  -5.663
  264    HG2  GLU  36           HG2      GLU  36  -7.845   5.600  -7.325
  265    HG3  GLU  36           HG1      GLU  36  -9.594   5.697  -7.470
  266    H    ASP  37           HN       ASP  37  -9.174   3.610  -6.043
  267    HA   ASP  37           HA       ASP  37 -12.070   3.621  -6.132
  268    HB2  ASP  37           HB2      ASP  37 -10.966   3.280  -8.215
  269    HB3  ASP  37           HB1      ASP  37  -9.954   2.014  -7.543
  270    H    ILE  38           HN       ILE  38  -9.489   1.922  -4.539
  271    HA   ILE  38           HA       ILE  38 -11.361  -0.165  -3.742
  272    HB   ILE  38           HB       ILE  38  -9.410  -1.478  -2.997
  273   HG12  ILE  38          HG12      ILE  38  -7.827   0.740  -4.334
  274   HG13  ILE  38          HG11      ILE  38  -7.820   0.363  -2.618
  275   HG21  ILE  38          HG21      ILE  38 -10.447  -1.842  -5.130
  276   HG22  ILE  38          HG22      ILE  38  -8.697  -2.055  -5.281
  277   HG23  ILE  38          HG23      ILE  38  -9.466  -0.570  -5.853
  278   HD11  ILE  38          HD11      ILE  38  -6.808  -1.411  -4.829
  279   HD12  ILE  38          HD12      ILE  38  -6.793  -1.803  -3.111
  280   HD13  ILE  38          HD13      ILE  38  -5.819  -0.462  -3.720
  281    H    GLY  39           HN       GLY  39 -11.331   2.429  -2.464
  282    HA2  GLY  39           HA2      GLY  39 -12.267   2.713  -0.293
  283    HA3  GLY  39           HA1      GLY  39 -11.394   1.289   0.234
  284    H    TYR  40           HN       TYR  40  -9.261   3.251  -1.433
  285    HA   TYR  40           HA       TYR  40  -8.382   4.462   1.102
  286    HB2  TYR  40           HB2      TYR  40  -6.774   3.953  -1.419
  287    HB3  TYR  40           HB1      TYR  40  -6.157   4.659   0.064
  288    HD1  TYR  40           HD1      TYR  40  -7.660   1.565  -1.313
  289    HD2  TYR  40           HD2      TYR  40  -5.257   3.292   1.726
  290    HE1  TYR  40           HE1      TYR  40  -7.092  -0.671  -0.512
  291    HE2  TYR  40           HE2      TYR  40  -4.681   1.048   2.542
  292    HH   TYR  40           HH       TYR  40  -5.625  -1.200   2.478
  293    H    ASP  41           HN       ASP  41  -9.154   6.469   1.205
  294    HA   ASP  41           HA       ASP  41  -9.620   7.968  -1.221
  295    HB2  ASP  41           HB2      ASP  41 -11.072   8.075   0.883
  296    HB3  ASP  41           HB1      ASP  41  -9.771   8.994   1.608
  297    H    SER  42           HN       SER  42  -7.715   8.403   1.647
  298    HA   SER  42           HA       SER  42  -5.252   8.954   0.440
  299    HB2  SER  42           HB2      SER  42  -5.112  11.438   0.795
  300    HB3  SER  42           HB1      SER  42  -6.258  10.954  -0.471
  301    H    LEU  43           HN       LEU  43  -7.317  10.041   3.067
  302    HA   LEU  43           HA       LEU  43  -5.377  10.464   5.054
  303    HB2  LEU  43           HB2      LEU  43  -7.933  11.001   4.998
  304    HB3  LEU  43           HB1      LEU  43  -8.145   9.384   5.610
  305    HG   LEU  43           HG       LEU  43  -8.344  11.012   7.388
  306   HD11  LEU  43          HD11      LEU  43  -6.727  10.204   9.010
  307   HD12  LEU  43          HD12      LEU  43  -5.796   9.462   7.708
  308   HD13  LEU  43          HD13      LEU  43  -7.427   8.894   8.059
  309   HD21  LEU  43          HD21      LEU  43  -5.552  11.875   6.681
  310   HD22  LEU  43          HD22      LEU  43  -6.466  12.419   8.087
  311   HD23  LEU  43          HD23      LEU  43  -7.034  12.807   6.461
  312    H    ALA  44           HN       ALA  44  -7.313   7.593   4.308
  313    HA   ALA  44           HA       ALA  44  -6.150   5.843   6.194
  314    HB1  ALA  44           HB1      ALA  44  -7.154   4.061   4.842
  315    HB2  ALA  44           HB2      ALA  44  -7.453   5.218   3.544
  316    HB3  ALA  44           HB3      ALA  44  -8.296   5.390   5.081
  317    H    LEU  45           HN       LEU  45  -5.464   6.589   2.863
  318    HA   LEU  45           HA       LEU  45  -3.658   4.547   2.266
  319    HB2  LEU  45           HB2      LEU  45  -4.709   5.850   0.548
  320    HB3  LEU  45           HB1      LEU  45  -3.916   7.306   1.110
  321    HG   LEU  45           HG       LEU  45  -1.734   6.288   0.487
  322   HD11  LEU  45          HD11      LEU  45  -3.447   4.165  -0.782
  323   HD12  LEU  45          HD12      LEU  45  -2.343   3.949   0.577
  324   HD13  LEU  45          HD13      LEU  45  -1.711   4.369  -1.015
  325   HD21  LEU  45          HD21      LEU  45  -2.018   6.644  -1.905
  326   HD22  LEU  45          HD22      LEU  45  -2.862   7.864  -0.942
  327   HD23  LEU  45          HD23      LEU  45  -3.773   6.559  -1.705
  328    H    MET  46           HN       MET  46  -3.072   7.786   3.602
  329    HA   MET  46           HA       MET  46  -0.254   7.554   3.436
  330    HB2  MET  46           HB2      MET  46  -0.073   9.504   4.830
  331    HB3  MET  46           HB1      MET  46  -1.439   9.730   3.751
  332    HG2  MET  46           HG2      MET  46  -2.998   9.286   5.509
  333    HG3  MET  46           HG1      MET  46  -1.706   8.782   6.591
  334    HE1  MET  46           HE1      MET  46  -3.926  10.834   7.478
  335    HE2  MET  46           HE2      MET  46  -2.945  12.051   8.293
  336    HE3  MET  46           HE3      MET  46  -2.582  10.339   8.508
  337    H    GLU  47           HN       GLU  47  -2.579   6.645   5.945
  338    HA   GLU  47           HA       GLU  47  -0.618   5.965   7.853
  339    HB2  GLU  47           HB2      GLU  47  -3.459   4.946   7.626
  340    HB3  GLU  47           HB1      GLU  47  -2.427   4.778   9.037
  341    HG2  GLU  47           HG2      GLU  47  -2.301   7.315   9.061
  342    HG3  GLU  47           HG1      GLU  47  -3.608   7.284   7.883
  343    H    THR  48           HN       THR  48  -2.177   4.254   5.255
  344    HA   THR  48           HA       THR  48  -1.209   1.677   5.705
  345    HB   THR  48           HB       THR  48  -1.569   3.061   3.036
  346    HG1  THR  48           HG1      THR  48  -3.361   2.361   5.010
  347   HG21  THR  48          HG21      THR  48  -1.856   0.174   3.872
  348   HG22  THR  48          HG22      THR  48  -0.496   0.854   2.985
  349   HG23  THR  48          HG23      THR  48  -2.102   0.836   2.255
  350    H    ALA  49           HN       ALA  49   0.119   4.308   3.689
  351    HA   ALA  49           HA       ALA  49   2.480   3.090   2.886
  352    HB1  ALA  49           HB1      ALA  49   1.592   5.170   1.898
  353    HB2  ALA  49           HB2      ALA  49   3.284   5.333   2.351
  354    HB3  ALA  49           HB3      ALA  49   2.030   6.045   3.362
  355    H    ALA  50           HN       ALA  50   1.924   5.154   5.726
  356    HA   ALA  50           HA       ALA  50   4.566   5.104   6.694
  357    HB1  ALA  50           HB1      ALA  50   3.631   5.898   8.791
  358    HB2  ALA  50           HB2      ALA  50   2.013   5.446   8.253
  359    HB3  ALA  50           HB3      ALA  50   2.894   6.729   7.422
  360    H    ARG  51           HN       ARG  51   1.927   2.866   7.074
  361    HA   ARG  51           HA       ARG  51   3.009   1.363   9.240
  362    HB2  ARG  51           HB2      ARG  51   0.592   1.422   8.440
  363    HB3  ARG  51           HB1      ARG  51   1.098   0.384   7.117
  364    HG2  ARG  51           HG2      ARG  51   1.787  -1.316   8.733
  365    HG3  ARG  51           HG1      ARG  51   1.248  -0.267  10.048
  366    HD2  ARG  51           HD2      ARG  51  -1.022  -0.268   8.992
  367    HD3  ARG  51           HD1      ARG  51  -0.435  -1.509   7.882
  368    HE   ARG  51           HE       ARG  51  -0.275  -1.902  10.778
  369   HH11  ARG  51          HH11      ARG  51  -1.684  -2.950   7.685
  370   HH12  ARG  51          HH12      ARG  51  -2.215  -4.441   8.347
  371   HH21  ARG  51          HH21      ARG  51  -1.096  -3.862  11.599
  372   HH22  ARG  51          HH22      ARG  51  -1.912  -4.945  10.544
  373    H    LEU  52           HN       LEU  52   3.226   1.250   5.773
  374    HA   LEU  52           HA       LEU  52   4.623  -1.215   5.532
  375    HB2  LEU  52           HB2      LEU  52   4.542   1.188   3.707
  376    HB3  LEU  52           HB1      LEU  52   5.193  -0.381   3.277
  377    HG   LEU  52           HG       LEU  52   2.309   0.062   4.040
  378   HD11  LEU  52          HD11      LEU  52   2.868   1.322   2.025
  379   HD12  LEU  52          HD12      LEU  52   1.845  -0.071   1.661
  380   HD13  LEU  52          HD13      LEU  52   3.575  -0.134   1.322
  381   HD21  LEU  52          HD21      LEU  52   3.136  -2.215   4.333
  382   HD22  LEU  52          HD22      LEU  52   3.735  -2.214   2.675
  383   HD23  LEU  52          HD23      LEU  52   2.001  -2.116   2.987
  384    H    GLU  53           HN       GLU  53   5.575   2.178   5.692
  385    HA   GLU  53           HA       GLU  53   8.323   1.931   5.365
  386    HB2  GLU  53           HB2      GLU  53   6.791   3.904   7.046
  387    HB3  GLU  53           HB1      GLU  53   8.498   4.042   6.659
  388    HG2  GLU  53           HG2      GLU  53   7.956   4.178   4.310
  389    HG3  GLU  53           HG1      GLU  53   6.241   4.041   4.676
  390    H    SER  54           HN       SER  54   6.505   2.089   8.381
  391    HA   SER  54           HA       SER  54   8.712   1.765  10.044
  392    HB2  SER  54           HB2      SER  54   6.911   1.252  11.769
  393    HB3  SER  54           HB1      SER  54   6.796   2.801  10.933
  394    HG   SER  54           HG       SER  54   5.042   2.169   9.934
  395    H    ARG  55           HN       ARG  55   6.282  -0.625   9.027
  396    HA   ARG  55           HA       ARG  55   7.396  -2.722  10.546
  397    HB2  ARG  55           HB2      ARG  55   5.086  -2.790   9.921
  398    HB3  ARG  55           HB1      ARG  55   5.495  -2.791   8.215
  399    HG2  ARG  55           HG2      ARG  55   6.512  -4.991   8.448
  400    HG3  ARG  55           HG1      ARG  55   6.130  -4.990  10.172
  401    HD2  ARG  55           HD2      ARG  55   4.108  -4.779   7.954
  402    HD3  ARG  55           HD1      ARG  55   4.514  -6.276   8.788
  403    HE   ARG  55           HE       ARG  55   3.786  -4.261  10.634
  404   HH11  ARG  55          HH11      ARG  55   2.336  -6.469   8.276
  405   HH12  ARG  55          HH12      ARG  55   0.848  -6.601   9.067
  406   HH21  ARG  55          HH21      ARG  55   1.740  -4.416  11.753
  407   HH22  ARG  55          HH22      ARG  55   0.544  -5.480  11.155
  408    H    TYR  56           HN       TYR  56   7.790  -1.936   7.081
  409    HA   TYR  56           HA       TYR  56   9.385  -4.342   6.870
  410    HB2  TYR  56           HB2      TYR  56   8.406  -2.491   4.691
  411    HB3  TYR  56           HB1      TYR  56   9.308  -3.986   4.423
  412    HD1  TYR  56           HD2      TYR  56   8.273  -6.160   5.414
  413    HD2  TYR  56           HD1      TYR  56   6.078  -2.567   4.832
  414    HE1  TYR  56           HE2      TYR  56   6.183  -7.444   5.418
  415    HE2  TYR  56           HE1      TYR  56   3.980  -3.838   4.827
  416    HH   TYR  56           HH       TYR  56   3.701  -7.022   5.859
  417    H    GLY  57           HN       GLY  57  10.017  -1.193   7.578
  418    HA2  GLY  57           HA2      GLY  57  12.082  -0.255   8.018
  419    HA3  GLY  57           HA1      GLY  57  12.838  -1.686   7.328
  420    H    VAL  58           HN       VAL  58  10.534   0.530   5.904
  421    HA   VAL  58           HA       VAL  58  12.565   1.247   3.926
  422    HB   VAL  58           HB       VAL  58  10.857   1.452   2.166
  423   HG11  VAL  58          HG11      VAL  58  10.847  -1.245   3.469
  424   HG12  VAL  58          HG12      VAL  58  12.035  -0.638   2.307
  425   HG13  VAL  58          HG13      VAL  58  10.358  -0.907   1.810
  426   HG21  VAL  58          HG21      VAL  58   8.941   0.310   4.195
  427   HG22  VAL  58          HG22      VAL  58   8.602   0.534   2.479
  428   HG23  VAL  58          HG23      VAL  58   8.901   1.936   3.507
  429    H    SER  59           HN       SER  59  11.793   3.323   2.692
  430    HA   SER  59           HA       SER  59  10.453   5.123   4.545
  431    HB2  SER  59           HB2      SER  59  13.083   5.708   3.144
  432    HB3  SER  59           HB1      SER  59  12.197   6.803   4.208
  433    HG   SER  59           HG       SER  59  12.605   4.402   5.353
  434    H    ILE  60           HN       ILE  60   8.776   5.865   3.441
  435    HA   ILE  60           HA       ILE  60   8.940   6.065   0.518
  436    HB   ILE  60           HB       ILE  60   6.478   6.108   2.309
  437   HG12  ILE  60          HG12      ILE  60   7.472   3.904   0.482
  438   HG13  ILE  60          HG11      ILE  60   7.600   3.891   2.236
  439   HG21  ILE  60          HG21      ILE  60   6.714   6.009  -0.705
  440   HG22  ILE  60          HG22      ILE  60   6.158   7.383   0.248
  441   HG23  ILE  60          HG23      ILE  60   5.209   5.896   0.208
  442   HD11  ILE  60          HD11      ILE  60   5.742   2.524   1.465
  443   HD12  ILE  60          HD12      ILE  60   5.033   3.924   0.656
  444   HD13  ILE  60          HD13      ILE  60   5.165   3.893   2.416
  445    HA   PRO  61           HA       PRO  61   9.444  10.417   1.567
  446    HB2  PRO  61           HB2      PRO  61   9.483  10.649  -1.386
  447    HB3  PRO  61           HB1      PRO  61  10.669  11.207  -0.200
  448    HG2  PRO  61           HG2      PRO  61  11.187   9.103  -1.742
  449    HG3  PRO  61           HG1      PRO  61  11.680   9.127  -0.036
  450    HD2  PRO  61           HD2      PRO  61   9.333   7.774  -1.311
  451    HD3  PRO  61           HD1      PRO  61  10.461   7.154  -0.084
  452    H    ASP  62           HN       ASP  62   8.147  12.148   1.487
  453    HA   ASP  62           HA       ASP  62   5.373  11.838   1.323
  454    HB2  ASP  62           HB2      ASP  62   6.596  13.563   2.650
  455    HB3  ASP  62           HB1      ASP  62   6.954  14.417   1.159
  456    H    ASP  63           HN       ASP  63   7.661  13.099  -1.003
  457    HA   ASP  63           HA       ASP  63   5.731  13.986  -2.938
  458    HB2  ASP  63           HB2      ASP  63   8.687  13.417  -3.172
  459    HB3  ASP  63           HB1      ASP  63   7.713  13.983  -4.519
  460    H    VAL  64           HN       VAL  64   7.552  11.021  -2.462
  461    HA   VAL  64           HA       VAL  64   6.853   9.977  -5.047
  462    HB   VAL  64           HB       VAL  64   8.093   8.517  -2.686
  463   HG11  VAL  64          HG11      VAL  64   7.071   6.956  -4.273
  464   HG12  VAL  64          HG12      VAL  64   8.828   6.855  -4.332
  465   HG13  VAL  64          HG13      VAL  64   7.953   7.713  -5.598
  466   HG21  VAL  64          HG21      VAL  64   9.377   9.779  -5.103
  467   HG22  VAL  64          HG22      VAL  64  10.209   8.822  -3.878
  468   HG23  VAL  64          HG23      VAL  64   9.472  10.365  -3.443
  469    H    ALA  65           HN       ALA  65   5.531   9.832  -1.866
  470    HA   ALA  65           HA       ALA  65   3.824   7.628  -2.124
  471    HB1  ALA  65           HB1      ALA  65   2.542   8.629  -0.304
  472    HB2  ALA  65           HB2      ALA  65   3.370  10.167  -0.553
  473    HB3  ALA  65           HB3      ALA  65   4.275   8.761   0.008
  474    H    GLY  66           HN       GLY  66   3.690  10.753  -3.550
  475    HA2  GLY  66           HA2      GLY  66   0.882  10.776  -4.065
  476    HA3  GLY  66           HA1      GLY  66   2.082  11.863  -4.743
  477    H    ARG  67           HN       ARG  67   3.540   9.205  -5.658
  478    HA   ARG  67           HA       ARG  67   2.049   9.213  -8.188
  479    HB2  ARG  67           HB2      ARG  67   3.959   8.318  -9.290
  480    HB3  ARG  67           HB1      ARG  67   4.507   9.639  -8.273
  481    HG2  ARG  67           HG2      ARG  67   5.827   8.301  -7.045
  482    HG3  ARG  67           HG1      ARG  67   4.619   7.013  -6.979
  483    HD2  ARG  67           HD2      ARG  67   6.438   7.637  -9.308
  484    HD3  ARG  67           HD1      ARG  67   6.594   6.271  -8.201
  485    HE   ARG  67           HE       ARG  67   4.019   6.267  -9.340
  486   HH11  ARG  67          HH11      ARG  67   7.357   5.346 -10.141
  487   HH12  ARG  67          HH12      ARG  67   6.908   4.446 -11.522
  488   HH21  ARG  67          HH21      ARG  67   3.424   4.943 -11.140
  489   HH22  ARG  67          HH22      ARG  67   4.603   4.201 -12.091
  490    H    VAL  68           HN       VAL  68   2.221   7.301  -5.489
  491    HA   VAL  68           HA       VAL  68   1.918   4.906  -7.064
  492    HB   VAL  68           HB       VAL  68   1.920   3.633  -4.895
  493   HG11  VAL  68          HG11      VAL  68   4.265   5.462  -5.380
  494   HG12  VAL  68          HG12      VAL  68   3.952   3.920  -6.177
  495   HG13  VAL  68          HG13      VAL  68   4.313   3.964  -4.450
  496   HG21  VAL  68          HG21      VAL  68   2.708   4.746  -2.882
  497   HG22  VAL  68          HG22      VAL  68   1.130   5.384  -3.368
  498   HG23  VAL  68          HG23      VAL  68   2.606   6.316  -3.678
  499    H    ASP  69           HN       ASP  69   0.086   5.122  -8.073
  500    HA   ASP  69           HA       ASP  69  -2.354   5.700  -6.577
  501    HB2  ASP  69           HB2      ASP  69  -1.881   5.340  -9.540
  502    HB3  ASP  69           HB1      ASP  69  -3.438   5.698  -8.816
  503    H    THR  70           HN       THR  70  -0.792   3.195  -8.383
  504    HA   THR  70           HA       THR  70  -2.880   1.350  -7.488
  505    HB   THR  70           HB       THR  70  -1.980  -0.216  -9.221
  506    HG1  THR  70           HG1      THR  70  -0.333   2.031  -9.827
  507   HG21  THR  70          HG21      THR  70  -3.896   1.208  -9.777
  508   HG22  THR  70          HG22      THR  70  -2.864   0.967 -11.189
  509   HG23  THR  70          HG23      THR  70  -2.802   2.488 -10.302
  510    HA   PRO  71           HA       PRO  71  -0.047  -0.502  -4.593
  511    HB2  PRO  71           HB2      PRO  71  -1.163  -3.076  -5.600
  512    HB3  PRO  71           HB1      PRO  71  -1.017  -2.489  -3.937
  513    HG2  PRO  71           HG2      PRO  71  -3.368  -2.462  -5.119
  514    HG3  PRO  71           HG1      PRO  71  -2.853  -1.074  -4.141
  515    HD2  PRO  71           HD2      PRO  71  -2.889  -1.389  -7.113
  516    HD3  PRO  71           HD1      PRO  71  -3.363   0.007  -6.120
  517    H    ARG  72           HN       ARG  72  -0.295  -1.676  -7.865
  518    HA   ARG  72           HA       ARG  72   1.931  -3.247  -8.272
  519    HB2  ARG  72           HB2      ARG  72   0.250  -2.555  -9.972
  520    HB3  ARG  72           HB1      ARG  72   1.002  -0.970 -10.027
  521    HG2  ARG  72           HG2      ARG  72   3.145  -2.288 -10.651
  522    HG3  ARG  72           HG1      ARG  72   2.013  -3.584 -11.054
  523    HD2  ARG  72           HD2      ARG  72   2.092  -0.800 -12.174
  524    HD3  ARG  72           HD1      ARG  72   2.442  -2.293 -13.028
  525    HE   ARG  72           HE       ARG  72   0.057  -2.884 -12.601
  526   HH11  ARG  72          HH11      ARG  72   1.046   0.564 -12.907
  527   HH12  ARG  72          HH12      ARG  72  -0.488   1.087 -13.391
  528   HH21  ARG  72          HH21      ARG  72  -2.040  -2.110 -13.339
  529   HH22  ARG  72          HH22      ARG  72  -2.289  -0.467 -13.645
  530    H    GLU  73           HN       GLU  73   1.744   0.275  -8.557
  531    HA   GLU  73           HA       GLU  73   4.474   0.853  -8.987
  532    HB2  GLU  73           HB2      GLU  73   2.283   2.595  -7.846
  533    HB3  GLU  73           HB1      GLU  73   3.793   3.161  -8.548
  534    HG2  GLU  73           HG2      GLU  73   3.145   2.497 -10.714
  535    HG3  GLU  73           HG1      GLU  73   1.790   1.550 -10.096
  536    H    LEU  74           HN       LEU  74   2.425   0.815  -6.159
  537    HA   LEU  74           HA       LEU  74   4.285   1.889  -4.326
  538    HB2  LEU  74           HB2      LEU  74   1.831   1.913  -4.013
  539    HB3  LEU  74           HB1      LEU  74   1.826   0.178  -3.866
  540    HG   LEU  74           HG       LEU  74   1.500   1.473  -1.738
  541   HD11  LEU  74          HD11      LEU  74   2.942   0.069  -0.367
  542   HD12  LEU  74          HD12      LEU  74   3.862  -0.382  -1.802
  543   HD13  LEU  74          HD13      LEU  74   2.166  -0.846  -1.659
  544   HD21  LEU  74          HD21      LEU  74   3.078   3.273  -2.129
  545   HD22  LEU  74          HD22      LEU  74   4.419   2.129  -2.105
  546   HD23  LEU  74          HD23      LEU  74   3.482   2.418  -0.638
  547    H    LEU  75           HN       LEU  75   3.372  -1.441  -5.110
  548    HA   LEU  75           HA       LEU  75   4.894  -2.874  -3.289
  549    HB2  LEU  75           HB2      LEU  75   3.184  -3.816  -4.788
  550    HB3  LEU  75           HB1      LEU  75   4.223  -3.523  -6.159
  551    HG   LEU  75           HG       LEU  75   5.850  -5.160  -5.193
  552   HD11  LEU  75          HD11      LEU  75   3.588  -5.726  -3.291
  553   HD12  LEU  75          HD12      LEU  75   5.153  -5.033  -2.868
  554   HD13  LEU  75          HD13      LEU  75   5.056  -6.685  -3.473
  555   HD21  LEU  75          HD21      LEU  75   4.295  -5.776  -6.941
  556   HD22  LEU  75          HD22      LEU  75   3.068  -6.152  -5.733
  557   HD23  LEU  75          HD23      LEU  75   4.544  -7.115  -5.822
  558    H    ASP  76           HN       ASP  76   5.684  -1.842  -6.580
  559    HA   ASP  76           HA       ASP  76   8.315  -2.775  -6.603
  560    HB2  ASP  76           HB2      ASP  76   7.213  -2.123  -8.676
  561    HB3  ASP  76           HB1      ASP  76   7.190  -0.438  -8.155
  562    H    LEU  77           HN       LEU  77   7.025   0.340  -5.480
  563    HA   LEU  77           HA       LEU  77   9.521   1.578  -5.129
  564    HB2  LEU  77           HB2      LEU  77   7.275   2.720  -5.192
  565    HB3  LEU  77           HB1      LEU  77   6.939   2.077  -3.608
  566    HG   LEU  77           HG       LEU  77   7.572   4.504  -3.688
  567   HD11  LEU  77          HD11      LEU  77   9.366   2.768  -2.007
  568   HD12  LEU  77          HD12      LEU  77   7.744   3.311  -1.588
  569   HD13  LEU  77          HD13      LEU  77   9.052   4.483  -1.742
  570   HD21  LEU  77          HD21      LEU  77  10.296   3.410  -4.357
  571   HD22  LEU  77          HD22      LEU  77   9.943   5.084  -3.929
  572   HD23  LEU  77          HD23      LEU  77   9.275   4.392  -5.407
  573    H    ILE  78           HN       ILE  78   7.523  -0.386  -2.980
  574    HA   ILE  78           HA       ILE  78   9.190  -0.170  -0.696
  575    HB   ILE  78           HB       ILE  78   7.326  -2.455  -1.441
  576   HG12  ILE  78          HG12      ILE  78   6.118  -0.322  -1.350
  577   HG13  ILE  78          HG11      ILE  78   5.674  -1.344   0.009
  578   HG21  ILE  78          HG21      ILE  78   7.272  -2.946   0.980
  579   HG22  ILE  78          HG22      ILE  78   8.476  -1.691   1.253
  580   HG23  ILE  78          HG23      ILE  78   8.893  -3.120   0.307
  581   HD11  ILE  78          HD11      ILE  78   7.589   0.970   0.092
  582   HD12  ILE  78          HD12      ILE  78   7.137  -0.045   1.460
  583   HD13  ILE  78          HD13      ILE  78   5.926   0.974   0.678
  584    H    ASN  79           HN       ASN  79   8.920  -2.665  -3.216
  585    HA   ASN  79           HA       ASN  79  11.035  -4.250  -2.258
  586    HB2  ASN  79           HB2      ASN  79   9.680  -4.119  -4.934
  587    HB3  ASN  79           HB1      ASN  79  11.086  -5.159  -4.685
  588   HD21  ASN  79          HD21      ASN  79   8.266  -5.903  -5.202
  589   HD22  ASN  79          HD22      ASN  79   7.837  -6.880  -3.847
  590    H    GLY  80           HN       GLY  80  11.038  -1.544  -4.414
  591    HA2  GLY  80           HA2      GLY  80  13.722  -1.728  -5.225
  592    HA3  GLY  80           HA1      GLY  80  12.746  -0.260  -5.190
  593    H    ALA  81           HN       ALA  81  12.150  -0.083  -2.510
  594    HA   ALA  81           HA       ALA  81  14.548   1.062  -1.523
  595    HB1  ALA  81           HB1      ALA  81  13.250   1.586   0.484
  596    HB2  ALA  81           HB2      ALA  81  11.965   0.506  -0.057
  597    HB3  ALA  81           HB3      ALA  81  12.331   1.968  -0.972
  598    H    LEU  82           HN       LEU  82  12.837  -1.930  -0.863
  599    HA   LEU  82           HA       LEU  82  14.426  -2.829   1.277
  600    HB2  LEU  82           HB2      LEU  82  12.891  -4.367  -0.809
  601    HB3  LEU  82           HB1      LEU  82  13.697  -5.140   0.539
  602    HG   LEU  82           HG       LEU  82  11.477  -3.107   0.812
  603   HD11  LEU  82          HD11      LEU  82  10.680  -5.180  -0.202
  604   HD12  LEU  82          HD12      LEU  82  10.092  -5.012   1.451
  605   HD13  LEU  82          HD13      LEU  82  11.427  -6.109   1.098
  606   HD21  LEU  82          HD21      LEU  82  11.443  -3.838   3.142
  607   HD22  LEU  82          HD22      LEU  82  13.009  -3.154   2.711
  608   HD23  LEU  82          HD23      LEU  82  12.815  -4.905   2.831
  609    H    ALA  83           HN       ALA  83  14.833  -3.082  -2.194
  610    HA   ALA  83           HA       ALA  83  17.136  -4.713  -2.190
  611    HB1  ALA  83           HB1      ALA  83  15.738  -4.381  -4.182
  612    HB2  ALA  83           HB2      ALA  83  17.428  -3.982  -4.499
  613    HB3  ALA  83           HB3      ALA  83  16.250  -2.693  -4.249
  614    H    GLU  84           HN       GLU  84  16.664  -1.233  -2.063
  615    HA   GLU  84           HA       GLU  84  19.404  -0.500  -2.321
  616    HB2  GLU  84           HB2      GLU  84  17.135   1.054  -1.075
  617    HB3  GLU  84           HB1      GLU  84  18.678   1.711  -1.593
  618    HG2  GLU  84           HG2      GLU  84  16.567   0.511  -3.360
  619    HG3  GLU  84           HG1      GLU  84  16.928   2.224  -3.172
  620    H    ALA  85           HN       ALA  85  17.222  -0.921   0.398
  621    HA   ALA  85           HA       ALA  85  19.242  -0.302   2.341
  622    HB1  ALA  85           HB1      ALA  85  16.895   0.290   2.743
  623    HB2  ALA  85           HB2      ALA  85  17.496  -0.817   3.978
  624    HB3  ALA  85           HB3      ALA  85  16.456  -1.418   2.687
  625    H    ALA  86           HN       ALA  86  19.163  -2.047   4.265
  626    HA   ALA  86           HA       ALA  86  19.607  -4.674   3.081
  627    HB1  ALA  86           HB1      ALA  86  21.787  -3.592   3.361
  628    HB2  ALA  86           HB2      ALA  86  21.600  -4.936   4.490
  629    HB3  ALA  86           HB3      ALA  86  21.416  -3.276   5.056
  630    H28  SXH  87          H28B      SXH  87  -5.615  12.304   3.229
  631   H28A  SXH  87          H28A      SXH  87  -6.183  13.905   3.698
  632    H30  SXH  87          H30C      SXH  87  -2.807  13.558   5.074
  633   H30A  SXH  87          H30A      SXH  87  -3.911  12.215   4.790
  634   H30B  SXH  87          H30B      SXH  87  -4.525  13.734   5.457
  635    H31  SXH  87          H31A      SXH  87  -3.206  12.007   2.525
  636   H31A  SXH  87          H31C      SXH  87  -3.321  13.372   1.410
  637   H31B  SXH  87          H31B      SXH  87  -2.090  13.361   2.673
  638    H32  SXH  87          H32A      SXH  87  -4.693  15.875   3.780
  639   HO33  SXH  87          H33A      SXH  87  -2.947  15.999   1.757
  640   HN36  SXH  87          H36A      SXH  87  -3.297  15.826   5.643
  641    H37  SXH  87          H37A      SXH  87  -0.518  16.784   5.168
  642   H37A  SXH  87          H37B      SXH  87  -1.596  17.353   6.413
  643    H38  SXH  87          H38A      SXH  87  -0.065  16.007   7.499
  644   H38A  SXH  87          H38B      SXH  87  -1.594  15.084   7.461
  645   HN41  SXH  87          H41A      SXH  87  -0.247  15.036   4.537
  646    H42  SXH  87          H42A      SXH  87   1.931  13.254   4.579
  647   H42A  SXH  87          H42B      SXH  87   0.437  12.342   4.447
  648    H43  SXH  87          H43A      SXH  87   1.381  14.441   2.530
  649   H43A  SXH  87          H43B      SXH  87  -0.236  13.760   2.555
  650    H2   SXH  87           H2A      SXH  87   1.003  10.789  -0.276
  651    H2A  SXH  87           H2B      SXH  87   1.341  11.970  -1.551
  652    H3   SXH  87           H3A      SXH  87  -1.014  12.585  -1.594
  653    H3A  SXH  87           H3B      SXH  87  -1.345  11.443  -0.288
  654    H4   SXH  87           H4B      SXH  87  -0.255  10.708  -2.990
  655    H4A  SXH  87           H4A      SXH  87  -0.681   9.598  -1.684
  656    H5   SXH  87           H5A      SXH  87  -2.597  11.454  -3.107
  657    H5A  SXH  87           H5B      SXH  87  -3.004  10.302  -1.814
  658    H6   SXH  87           H6C      SXH  87  -3.512   9.389  -4.019
  659    H6A  SXH  87           H6A      SXH  87  -2.234   8.486  -3.207
  660    H6B  SXH  87           H6B      SXH  87  -1.822   9.622  -4.497
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1   9.852 -15.951   5.568
    2    H2   MET   1           HT2      MET   1   8.228 -15.531   5.422
    3    H3   MET   1           HT3      MET   1   8.953 -15.471   6.946
    4    HA   MET   1           HA       MET   1   8.562 -13.332   5.984
    5    HB2  MET   1           HB2      MET   1  10.761 -12.360   6.331
    6    HB3  MET   1           HB1      MET   1  10.529 -13.650   7.496
    7    HG2  MET   1           HG2      MET   1  11.928 -15.120   6.116
    8    HG3  MET   1           HG1      MET   1  12.161 -13.804   4.972
    9    HE1  MET   1           HE1      MET   1  12.956 -15.208   8.527
   10    HE2  MET   1           HE2      MET   1  12.067 -13.738   8.927
   11    HE3  MET   1           HE3      MET   1  13.788 -13.856   9.296
   12    H    ALA   2           HN       ALA   2   8.651 -11.974   4.297
   13    HA   ALA   2           HA       ALA   2   9.089 -13.266   1.761
   14    HB1  ALA   2           HB1      ALA   2   8.052 -10.517   2.400
   15    HB2  ALA   2           HB2      ALA   2   7.068 -11.959   2.152
   16    HB3  ALA   2           HB3      ALA   2   8.026 -11.305   0.824
   17    H    THR   3           HN       THR   3  11.037 -13.231   0.873
   18    HA   THR   3           HA       THR   3  12.849 -11.005   1.225
   19    HB   THR   3           HB       THR   3  14.042 -12.377  -0.655
   20    HG1  THR   3           HG1      THR   3  12.234 -13.559  -1.307
   21   HG21  THR   3          HG21      THR   3  14.873 -14.052   0.957
   22   HG22  THR   3          HG22      THR   3  13.526 -13.676   2.035
   23   HG23  THR   3          HG23      THR   3  14.756 -12.456   1.699
   24    H    LEU   4           HN       LEU   4  12.246  -9.209   0.209
   25    HA   LEU   4           HA       LEU   4  11.178  -7.754  -1.042
   26    HB2  LEU   4           HB2      LEU   4  11.291  -9.859  -3.221
   27    HB3  LEU   4           HB1      LEU   4  10.736  -8.216  -3.481
   28    HG   LEU   4           HG       LEU   4  13.536  -9.059  -2.714
   29   HD11  LEU   4          HD11      LEU   4  14.135  -8.247  -4.937
   30   HD12  LEU   4          HD12      LEU   4  12.434  -7.927  -5.276
   31   HD13  LEU   4          HD13      LEU   4  12.985  -9.581  -5.018
   32   HD21  LEU   4          HD21      LEU   4  12.962  -6.905  -1.719
   33   HD22  LEU   4          HD22      LEU   4  12.420  -6.312  -3.291
   34   HD23  LEU   4          HD23      LEU   4  14.122  -6.698  -3.034
   35    H    LEU   5           HN       LEU   5   9.219  -7.113  -0.953
   36    HA   LEU   5           HA       LEU   5   7.314  -8.866   0.260
   37    HB2  LEU   5           HB2      LEU   5   7.990  -6.450   0.842
   38    HB3  LEU   5           HB1      LEU   5   7.074  -5.969  -0.550
   39    HG   LEU   5           HG       LEU   5   5.767  -7.442   1.733
   40   HD11  LEU   5          HD11      LEU   5   6.872  -5.444   2.623
   41   HD12  LEU   5          HD12      LEU   5   5.117  -5.249   2.593
   42   HD13  LEU   5          HD13      LEU   5   6.112  -4.465   1.368
   43   HD21  LEU   5          HD21      LEU   5   3.790  -6.330   0.895
   44   HD22  LEU   5          HD22      LEU   5   4.557  -7.284  -0.379
   45   HD23  LEU   5          HD23      LEU   5   4.749  -5.531  -0.349
   46    H    THR   6           HN       THR   6   5.521  -9.781  -0.798
   47    HA   THR   6           HA       THR   6   5.289  -8.991  -3.591
   48    HB   THR   6           HB       THR   6   4.204 -11.216  -4.015
   49    HG1  THR   6           HG1      THR   6   4.620 -11.470  -1.258
   50   HG21  THR   6          HG21      THR   6   6.997 -11.301  -2.876
   51   HG22  THR   6          HG22      THR   6   6.564 -10.842  -4.522
   52   HG23  THR   6          HG23      THR   6   6.293 -12.495  -3.967
   53    H    THR   7           HN       THR   7   2.930  -9.924  -4.387
   54    HA   THR   7           HA       THR   7   1.118  -7.965  -3.855
   55    HB   THR   7           HB       THR   7   0.516 -10.794  -4.709
   56    HG1  THR   7           HG1      THR   7   1.615 -10.423  -6.484
   57   HG21  THR   7          HG21      THR   7  -0.617  -8.108  -5.543
   58   HG22  THR   7          HG22      THR   7  -1.417  -9.264  -4.476
   59   HG23  THR   7          HG23      THR   7  -1.123  -9.678  -6.166
   60    H    ASP   8           HN       ASP   8   1.118 -11.317  -2.659
   61    HA   ASP   8           HA       ASP   8  -1.177 -11.151  -1.031
   62    HB2  ASP   8           HB2      ASP   8   1.201 -12.995  -0.652
   63    HB3  ASP   8           HB1      ASP   8  -0.348 -13.164   0.153
   64    H    ASP   9           HN       ASP   9   2.186 -10.494  -0.308
   65    HA   ASP   9           HA       ASP   9   1.905 -10.196   2.516
   66    HB2  ASP   9           HB2      ASP   9   3.972  -8.929   0.704
   67    HB3  ASP   9           HB1      ASP   9   4.046  -8.975   2.453
   68    H    LEU  10           HN       LEU  10   1.856  -7.963  -0.187
   69    HA   LEU  10           HA       LEU  10   1.673  -5.597   1.346
   70    HB2  LEU  10           HB2      LEU  10   2.367  -5.724  -1.043
   71    HB3  LEU  10           HB1      LEU  10   0.713  -6.092  -1.479
   72    HG   LEU  10           HG       LEU  10   0.043  -3.862  -0.577
   73   HD11  LEU  10          HD11      LEU  10   1.782  -2.185  -0.194
   74   HD12  LEU  10          HD12      LEU  10   3.019  -3.428  -0.378
   75   HD13  LEU  10          HD13      LEU  10   1.883  -3.508   0.968
   76   HD21  LEU  10          HD21      LEU  10   0.929  -2.589  -2.465
   77   HD22  LEU  10          HD22      LEU  10   0.416  -4.203  -2.956
   78   HD23  LEU  10          HD23      LEU  10   2.129  -3.848  -2.752
   79    H    ARG  11           HN       ARG  11  -0.655  -7.742  -0.107
   80    HA   ARG  11           HA       ARG  11  -3.023  -6.390   0.278
   81    HB2  ARG  11           HB2      ARG  11  -2.685  -8.560  -0.927
   82    HB3  ARG  11           HB1      ARG  11  -2.649  -9.358   0.636
   83    HG2  ARG  11           HG2      ARG  11  -4.918  -8.670   1.076
   84    HG3  ARG  11           HG1      ARG  11  -4.958  -7.760  -0.435
   85    HD2  ARG  11           HD2      ARG  11  -4.611 -10.735  -0.145
   86    HD3  ARG  11           HD1      ARG  11  -6.067  -9.903  -0.683
   87    HE   ARG  11           HE       ARG  11  -4.775  -9.174  -2.647
   88   HH11  ARG  11          HH11      ARG  11  -3.656 -11.964  -0.804
   89   HH12  ARG  11          HH12      ARG  11  -2.794 -12.687  -2.077
   90   HH21  ARG  11          HH21      ARG  11  -3.638 -10.265  -4.578
   91   HH22  ARG  11          HH22      ARG  11  -2.842 -11.711  -4.238
   92    H    ARG  12           HN       ARG  12  -1.221  -8.364   2.555
   93    HA   ARG  12           HA       ARG  12  -2.971  -8.413   4.735
   94    HB2  ARG  12           HB2      ARG  12   0.033  -8.146   4.811
   95    HB3  ARG  12           HB1      ARG  12  -0.992  -8.656   6.137
   96    HG2  ARG  12           HG2      ARG  12  -1.578 -10.672   4.924
   97    HG3  ARG  12           HG1      ARG  12  -0.590 -10.145   3.555
   98    HD2  ARG  12           HD2      ARG  12   1.377 -10.102   4.972
   99    HD3  ARG  12           HD1      ARG  12   0.405 -10.579   6.356
  100    HE   ARG  12           HE       ARG  12   0.049 -12.530   4.445
  101   HH11  ARG  12          HH11      ARG  12   2.674 -11.162   6.384
  102   HH12  ARG  12          HH12      ARG  12   3.653 -12.541   6.354
  103   HH21  ARG  12          HH21      ARG  12   1.346 -14.563   4.536
  104   HH22  ARG  12          HH22      ARG  12   2.847 -14.525   5.350
  105    H    ALA  13           HN       ALA  13  -0.399  -6.121   3.953
  106    HA   ALA  13           HA       ALA  13  -0.689  -4.475   6.231
  107    HB1  ALA  13           HB1      ALA  13   1.322  -4.543   4.843
  108    HB2  ALA  13           HB2      ALA  13   0.704  -2.900   5.028
  109    HB3  ALA  13           HB3      ALA  13   0.428  -3.784   3.526
  110    H    LEU  14           HN       LEU  14  -2.081  -4.230   2.964
  111    HA   LEU  14           HA       LEU  14  -3.387  -1.810   3.349
  112    HB2  LEU  14           HB2      LEU  14  -3.721  -4.169   1.553
  113    HB3  LEU  14           HB1      LEU  14  -4.907  -2.889   1.534
  114    HG   LEU  14           HG       LEU  14  -3.156  -2.881  -0.232
  115   HD11  LEU  14          HD11      LEU  14  -4.506  -0.899   0.226
  116   HD12  LEU  14          HD12      LEU  14  -2.856  -0.412  -0.169
  117   HD13  LEU  14          HD13      LEU  14  -3.393  -0.424   1.511
  118   HD21  LEU  14          HD21      LEU  14  -1.363  -1.887   1.975
  119   HD22  LEU  14          HD22      LEU  14  -0.992  -1.807   0.251
  120   HD23  LEU  14          HD23      LEU  14  -1.172  -3.370   1.042
  121    H    VAL  15           HN       VAL  15  -4.573  -5.184   3.693
  122    HA   VAL  15           HA       VAL  15  -7.139  -4.324   4.523
  123    HB   VAL  15           HB       VAL  15  -6.691  -6.551   3.419
  124   HG11  VAL  15          HG11      VAL  15  -4.795  -7.308   4.651
  125   HG12  VAL  15          HG12      VAL  15  -6.109  -8.478   4.776
  126   HG13  VAL  15          HG13      VAL  15  -5.751  -7.406   6.131
  127   HG21  VAL  15          HG21      VAL  15  -8.863  -6.115   4.394
  128   HG22  VAL  15          HG22      VAL  15  -8.285  -6.641   5.976
  129   HG23  VAL  15          HG23      VAL  15  -8.414  -7.801   4.655
  130    H    GLU  16           HN       GLU  16  -4.267  -4.615   6.245
  131    HA   GLU  16           HA       GLU  16  -5.510  -4.787   8.851
  132    HB2  GLU  16           HB2      GLU  16  -2.702  -4.045   8.060
  133    HB3  GLU  16           HB1      GLU  16  -3.258  -4.203   9.710
  134    HG2  GLU  16           HG2      GLU  16  -3.677  -6.578   9.333
  135    HG3  GLU  16           HG1      GLU  16  -3.120  -6.403   7.663
  136    H    SER  17           HN       SER  17  -4.337  -2.299   6.694
  137    HA   SER  17           HA       SER  17  -4.470  -0.226   8.684
  138    HB2  SER  17           HB2      SER  17  -4.013  -0.024   5.707
  139    HB3  SER  17           HB1      SER  17  -3.719   1.247   6.895
  140    HG   SER  17           HG       SER  17  -2.363  -1.164   6.456
  141    H    ALA  18           HN       ALA  18  -6.393  -1.248   5.879
  142    HA   ALA  18           HA       ALA  18  -8.256   0.899   6.226
  143    HB1  ALA  18           HB1      ALA  18  -8.465  -1.620   4.586
  144    HB2  ALA  18           HB2      ALA  18  -7.882  -0.052   3.997
  145    HB3  ALA  18           HB3      ALA  18  -9.559  -0.242   4.517
  146    H    GLY  19           HN       GLY  19  -9.435   0.901   8.024
  147    HA2  GLY  19           HA2      GLY  19 -10.396  -1.616   9.064
  148    HA3  GLY  19           HA1      GLY  19 -10.548  -0.040   9.864
  149    H    GLU  20           HN       GLU  20 -12.180  -2.412   8.359
  150    HA   GLU  20           HA       GLU  20 -14.215  -2.723   7.537
  151    HB2  GLU  20           HB2      GLU  20 -15.208  -1.359   9.259
  152    HB3  GLU  20           HB1      GLU  20 -14.708   0.121   8.457
  153    HG2  GLU  20           HG2      GLU  20 -17.117  -0.292   8.253
  154    HG3  GLU  20           HG1      GLU  20 -16.313  -0.244   6.690
  155    H    THR  21           HN       THR  21 -13.715  -3.193   5.560
  156    HA   THR  21           HA       THR  21 -14.325  -1.168   3.619
  157    HB   THR  21           HB       THR  21 -11.867  -1.073   3.943
  158    HG1  THR  21           HG1      THR  21 -11.674  -0.634   1.987
  159   HG21  THR  21          HG21      THR  21 -11.406  -3.379   4.586
  160   HG22  THR  21          HG22      THR  21 -10.423  -2.932   3.191
  161   HG23  THR  21          HG23      THR  21 -11.859  -3.937   2.975
  162    H    ASP  22           HN       ASP  22 -15.921  -3.167   4.518
  163    HA   ASP  22           HA       ASP  22 -16.002  -5.654   3.252
  164    HB2  ASP  22           HB2      ASP  22 -17.535  -5.076   5.038
  165    HB3  ASP  22           HB1      ASP  22 -18.272  -3.823   4.053
  166    H    GLY  23           HN       GLY  23 -17.089  -2.530   2.092
  167    HA2  GLY  23           HA2      GLY  23 -18.448  -3.448  -0.240
  168    HA3  GLY  23           HA1      GLY  23 -17.920  -1.801   0.064
  169    H    THR  24           HN       THR  24 -15.162  -3.164   0.473
  170    HA   THR  24           HA       THR  24 -14.385  -3.061  -2.340
  171    HB   THR  24           HB       THR  24 -12.659  -3.007   0.139
  172    HG1  THR  24           HG1      THR  24 -13.112  -1.066   0.428
  173   HG21  THR  24          HG21      THR  24 -12.183  -2.053  -2.683
  174   HG22  THR  24          HG22      THR  24 -11.508  -3.509  -1.956
  175   HG23  THR  24          HG23      THR  24 -11.038  -1.920  -1.348
  176    H    ASP  25           HN       ASP  25 -12.798  -4.781  -2.935
  177    HA   ASP  25           HA       ASP  25 -13.321  -7.266  -1.576
  178    HB2  ASP  25           HB2      ASP  25 -11.444  -6.634  -3.882
  179    HB3  ASP  25           HB1      ASP  25 -11.672  -8.240  -3.194
  180    H    LEU  26           HN       LEU  26 -10.287  -5.775  -2.549
  181    HA   LEU  26           HA       LEU  26  -8.301  -5.496  -1.639
  182    HB2  LEU  26           HB2      LEU  26  -9.629  -4.112  -0.024
  183    HB3  LEU  26           HB1      LEU  26  -9.705  -5.506   1.037
  184    HG   LEU  26           HG       LEU  26  -7.280  -5.437   1.337
  185   HD11  LEU  26          HD11      LEU  26  -6.675  -4.575  -0.876
  186   HD12  LEU  26          HD12      LEU  26  -5.975  -3.584   0.404
  187   HD13  LEU  26          HD13      LEU  26  -7.394  -3.018  -0.471
  188   HD21  LEU  26          HD21      LEU  26  -8.696  -4.126   2.831
  189   HD22  LEU  26          HD22      LEU  26  -8.598  -2.754   1.725
  190   HD23  LEU  26          HD23      LEU  26  -7.149  -3.326   2.553
  191    H    SER  27           HN       SER  27  -9.907  -7.664   0.656
  192    HA   SER  27           HA       SER  27  -7.656  -9.454   0.560
  193    HB2  SER  27           HB2      SER  27  -9.085  -9.058   2.674
  194    HB3  SER  27           HB1      SER  27 -10.359  -9.952   1.847
  195    HG   SER  27           HG       SER  27  -8.809 -11.713   1.672
  196    H    GLY  28           HN       GLY  28  -7.591  -9.927  -1.477
  197    HA2  GLY  28           HA2      GLY  28  -8.735 -12.115  -2.622
  198    HA3  GLY  28           HA1      GLY  28  -9.675 -10.723  -3.211
  199    H    ASP  29           HN       ASP  29  -8.585  -8.966  -4.166
  200    HA   ASP  29           HA       ASP  29  -5.789  -8.914  -4.185
  201    HB2  ASP  29           HB2      ASP  29  -6.386 -10.412  -6.231
  202    HB3  ASP  29           HB1      ASP  29  -6.985  -8.922  -6.967
  203    H    PHE  30           HN       PHE  30  -5.437  -6.903  -6.095
  204    HA   PHE  30           HA       PHE  30  -7.102  -4.673  -5.737
  205    HB2  PHE  30           HB2      PHE  30  -6.208  -3.576  -3.753
  206    HB3  PHE  30           HB1      PHE  30  -6.787  -5.176  -3.286
  207    HD1  PHE  30           HD1      PHE  30  -4.760  -7.034  -3.546
  208    HD2  PHE  30           HD2      PHE  30  -4.295  -2.881  -2.782
  209    HE1  PHE  30           HE1      PHE  30  -2.548  -7.461  -2.597
  210    HE2  PHE  30           HE2      PHE  30  -2.076  -3.315  -1.830
  211    HZ   PHE  30           HZ       PHE  30  -1.200  -5.598  -1.746
  212    H    LEU  31           HN       LEU  31  -3.991  -6.119  -6.255
  213    HA   LEU  31           HA       LEU  31  -2.181  -4.093  -6.040
  214    HB2  LEU  31           HB2      LEU  31  -1.761  -6.522  -6.266
  215    HB3  LEU  31           HB1      LEU  31  -2.066  -6.366  -7.986
  216    HG   LEU  31           HG       LEU  31  -0.180  -4.768  -8.121
  217   HD11  LEU  31          HD11      LEU  31   1.417  -4.696  -6.255
  218   HD12  LEU  31          HD12      LEU  31   0.301  -5.652  -5.276
  219   HD13  LEU  31          HD13      LEU  31  -0.155  -4.032  -5.805
  220   HD21  LEU  31          HD21      LEU  31   1.564  -6.474  -7.950
  221   HD22  LEU  31          HD22      LEU  31   0.103  -7.111  -8.707
  222   HD23  LEU  31          HD23      LEU  31   0.467  -7.498  -7.025
  223    H    ASP  32           HN       ASP  32  -4.064  -4.928  -8.918
  224    HA   ASP  32           HA       ASP  32  -2.682  -2.868 -10.466
  225    HB2  ASP  32           HB2      ASP  32  -3.812  -3.860 -12.402
  226    HB3  ASP  32           HB1      ASP  32  -2.911  -5.066 -11.494
  227    H    LEU  33           HN       LEU  33  -5.242  -2.957  -8.471
  228    HA   LEU  33           HA       LEU  33  -7.041  -1.328 -10.073
  229    HB2  LEU  33           HB2      LEU  33  -7.208  -2.191  -7.179
  230    HB3  LEU  33           HB1      LEU  33  -8.466  -1.351  -8.063
  231    HG   LEU  33           HG       LEU  33  -7.483  -4.152  -8.623
  232   HD11  LEU  33          HD11      LEU  33  -8.758  -4.005  -6.558
  233   HD12  LEU  33          HD12      LEU  33  -9.682  -4.839  -7.807
  234   HD13  LEU  33          HD13      LEU  33 -10.055  -3.164  -7.406
  235   HD21  LEU  33          HD21      LEU  33  -8.222  -3.023 -10.660
  236   HD22  LEU  33          HD22      LEU  33  -9.738  -2.579  -9.874
  237   HD23  LEU  33          HD23      LEU  33  -9.369  -4.277 -10.183
  238    H    ARG  34           HN       ARG  34  -7.671   0.802  -9.250
  239    HA   ARG  34           HA       ARG  34  -5.406   2.371  -8.386
  240    HB2  ARG  34           HB2      ARG  34  -8.344   3.129  -8.579
  241    HB3  ARG  34           HB1      ARG  34  -6.994   4.243  -8.450
  242    HG2  ARG  34           HG2      ARG  34  -7.288   2.366 -10.769
  243    HG3  ARG  34           HG1      ARG  34  -8.084   3.937 -10.726
  244    HD2  ARG  34           HD2      ARG  34  -5.127   3.592 -10.325
  245    HD3  ARG  34           HD1      ARG  34  -5.851   3.814 -11.919
  246    HE   ARG  34           HE       ARG  34  -6.650   5.821 -10.016
  247   HH11  ARG  34          HH11      ARG  34  -4.122   4.951 -12.389
  248   HH12  ARG  34          HH12      ARG  34  -3.672   6.567 -12.668
  249   HH21  ARG  34          HH21      ARG  34  -5.974   8.001 -10.372
  250   HH22  ARG  34          HH22      ARG  34  -4.673   8.336 -11.410
  251    H    PHE  35           HN       PHE  35  -5.151   3.264  -6.243
  252    HA   PHE  35           HA       PHE  35  -6.293   2.035  -4.017
  253    HB2  PHE  35           HB2      PHE  35  -5.188   4.835  -4.307
  254    HB3  PHE  35           HB1      PHE  35  -5.822   4.259  -2.774
  255    HD1  PHE  35           HD1      PHE  35  -4.774   2.146  -1.798
  256    HD2  PHE  35           HD2      PHE  35  -2.979   4.407  -4.908
  257    HE1  PHE  35           HE1      PHE  35  -2.596   1.158  -1.242
  258    HE2  PHE  35           HE2      PHE  35  -0.794   3.418  -4.366
  259    HZ   PHE  35           HZ       PHE  35  -0.596   1.796  -2.530
  260    H    GLU  36           HN       GLU  36  -7.468   4.580  -5.937
  261    HA   GLU  36           HA       GLU  36  -9.697   5.571  -4.674
  262    HB2  GLU  36           HB2      GLU  36  -9.457   4.864  -7.589
  263    HB3  GLU  36           HB1      GLU  36 -10.518   6.073  -6.881
  264    HG2  GLU  36           HG2      GLU  36  -8.629   7.415  -6.227
  265    HG3  GLU  36           HG1      GLU  36  -7.513   6.183  -6.817
  266    H    ASP  37           HN       ASP  37  -9.305   2.478  -6.374
  267    HA   ASP  37           HA       ASP  37 -12.143   1.897  -6.337
  268    HB2  ASP  37           HB2      ASP  37  -9.758   0.282  -7.248
  269    HB3  ASP  37           HB1      ASP  37 -11.395  -0.347  -7.247
  270    H    ILE  38           HN       ILE  38  -9.389   1.336  -4.391
  271    HA   ILE  38           HA       ILE  38 -10.794  -0.808  -3.043
  272    HB   ILE  38           HB       ILE  38  -8.712  -1.381  -1.883
  273   HG12  ILE  38          HG12      ILE  38  -7.424   0.740  -3.631
  274   HG13  ILE  38          HG11      ILE  38  -7.665   0.875  -1.893
  275   HG21  ILE  38          HG21      ILE  38  -8.541  -1.218  -4.881
  276   HG22  ILE  38          HG22      ILE  38  -9.254  -2.518  -3.923
  277   HG23  ILE  38          HG23      ILE  38  -7.514  -2.227  -3.872
  278   HD11  ILE  38          HD11      ILE  38  -5.372   0.269  -2.436
  279   HD12  ILE  38          HD12      ILE  38  -5.941  -1.173  -3.279
  280   HD13  ILE  38          HD13      ILE  38  -6.171  -1.021  -1.538
  281    H    GLY  39           HN       GLY  39 -11.463   1.969  -2.791
  282    HA2  GLY  39           HA2      GLY  39 -12.496   3.174  -1.142
  283    HA3  GLY  39           HA1      GLY  39 -12.144   1.851  -0.049
  284    H    TYR  40           HN       TYR  40  -9.643   3.586  -1.772
  285    HA   TYR  40           HA       TYR  40  -8.847   4.805   0.771
  286    HB2  TYR  40           HB2      TYR  40  -7.274   3.738  -1.531
  287    HB3  TYR  40           HB1      TYR  40  -6.589   5.048  -0.574
  288    HD1  TYR  40           HD1      TYR  40  -8.596   2.129   0.464
  289    HD2  TYR  40           HD2      TYR  40  -4.781   3.991   0.548
  290    HE1  TYR  40           HE1      TYR  40  -7.806   0.414   2.007
  291    HE2  TYR  40           HE2      TYR  40  -3.970   2.266   2.109
  292    HH   TYR  40           HH       TYR  40  -5.896  -0.557   2.832
  293    H    ASP  41           HN       ASP  41  -9.302   6.837   0.878
  294    HA   ASP  41           HA       ASP  41  -9.693   8.408  -1.529
  295    HB2  ASP  41           HB2      ASP  41 -11.298   8.665   0.280
  296    HB3  ASP  41           HB1      ASP  41 -10.011   9.130   1.382
  297    H    SER  42           HN       SER  42  -7.696   8.478   1.319
  298    HA   SER  42           HA       SER  42  -5.336   9.444   0.188
  299    HB2  SER  42           HB2      SER  42  -6.061  11.509  -0.429
  300    HB3  SER  42           HB1      SER  42  -7.377  11.542   0.756
  301    H    LEU  43           HN       LEU  43  -7.326  10.092   3.089
  302    HA   LEU  43           HA       LEU  43  -5.226  10.254   4.922
  303    HB2  LEU  43           HB2      LEU  43  -7.594  10.984   5.251
  304    HB3  LEU  43           HB1      LEU  43  -8.050   9.309   5.427
  305    HG   LEU  43           HG       LEU  43  -6.071  10.580   7.317
  306   HD11  LEU  43          HD11      LEU  43  -8.041  11.972   7.236
  307   HD12  LEU  43          HD12      LEU  43  -7.952  11.102   8.773
  308   HD13  LEU  43          HD13      LEU  43  -9.075  10.569   7.507
  309   HD21  LEU  43          HD21      LEU  43  -6.317   8.119   7.389
  310   HD22  LEU  43          HD22      LEU  43  -8.054   8.313   7.634
  311   HD23  LEU  43          HD23      LEU  43  -6.921   8.880   8.861
  312    H    ALA  44           HN       ALA  44  -7.151   7.467   3.890
  313    HA   ALA  44           HA       ALA  44  -5.986   5.565   5.633
  314    HB1  ALA  44           HB1      ALA  44  -8.121   5.196   4.456
  315    HB2  ALA  44           HB2      ALA  44  -6.977   3.883   4.177
  316    HB3  ALA  44           HB3      ALA  44  -7.247   5.091   2.925
  317    H    LEU  45           HN       LEU  45  -4.835   7.067   2.808
  318    HA   LEU  45           HA       LEU  45  -3.103   4.953   1.978
  319    HB2  LEU  45           HB2      LEU  45  -4.043   6.552   0.373
  320    HB3  LEU  45           HB1      LEU  45  -3.203   7.861   1.173
  321    HG   LEU  45           HG       LEU  45  -1.053   6.972   0.423
  322   HD11  LEU  45          HD11      LEU  45  -1.615   4.589   0.460
  323   HD12  LEU  45          HD12      LEU  45  -0.963   5.068  -1.107
  324   HD13  LEU  45          HD13      LEU  45  -2.698   4.821  -0.912
  325   HD21  LEU  45          HD21      LEU  45  -1.335   7.389  -1.952
  326   HD22  LEU  45          HD22      LEU  45  -2.341   8.506  -1.017
  327   HD23  LEU  45          HD23      LEU  45  -3.070   7.116  -1.814
  328    H    MET  46           HN       MET  46  -2.788   7.914   3.915
  329    HA   MET  46           HA       MET  46   0.049   7.697   4.150
  330    HB2  MET  46           HB2      MET  46   0.004   9.363   5.889
  331    HB3  MET  46           HB1      MET  46  -1.217   9.836   4.721
  332    HG2  MET  46           HG2      MET  46  -2.978   9.148   6.161
  333    HG3  MET  46           HG1      MET  46  -1.861   8.327   7.244
  334    HE1  MET  46           HE1      MET  46  -3.024   9.545   9.318
  335    HE2  MET  46           HE2      MET  46  -4.126  10.356   8.205
  336    HE3  MET  46           HE3      MET  46  -3.249  11.292   9.414
  337    H    GLU  47           HN       GLU  47  -2.665   6.456   5.963
  338    HA   GLU  47           HA       GLU  47  -1.403   5.505   8.271
  339    HB2  GLU  47           HB2      GLU  47  -3.743   4.316   6.763
  340    HB3  GLU  47           HB1      GLU  47  -3.322   3.975   8.434
  341    HG2  GLU  47           HG2      GLU  47  -4.061   6.703   7.425
  342    HG3  GLU  47           HG1      GLU  47  -5.229   5.558   8.077
  343    H    THR  48           HN       THR  48  -2.179   3.880   5.257
  344    HA   THR  48           HA       THR  48  -1.021   1.402   5.801
  345    HB   THR  48           HB       THR  48  -1.364   2.746   3.108
  346    HG1  THR  48           HG1      THR  48  -3.357   2.818   4.114
  347   HG21  THR  48          HG21      THR  48  -0.079   0.639   3.070
  348   HG22  THR  48          HG22      THR  48  -1.655   0.433   2.305
  349   HG23  THR  48          HG23      THR  48  -1.381  -0.171   3.938
  350    H    ALA  49           HN       ALA  49   0.260   4.132   3.844
  351    HA   ALA  49           HA       ALA  49   2.716   3.019   3.188
  352    HB1  ALA  49           HB1      ALA  49   1.727   4.965   2.072
  353    HB2  ALA  49           HB2      ALA  49   3.394   5.256   2.568
  354    HB3  ALA  49           HB3      ALA  49   2.065   5.947   3.498
  355    H    ALA  50           HN       ALA  50   1.961   5.206   5.906
  356    HA   ALA  50           HA       ALA  50   4.628   5.482   6.795
  357    HB1  ALA  50           HB1      ALA  50   3.645   6.437   8.808
  358    HB2  ALA  50           HB2      ALA  50   2.055   5.836   8.321
  359    HB3  ALA  50           HB3      ALA  50   2.867   7.067   7.356
  360    H    ARG  51           HN       ARG  51   2.145   3.164   7.446
  361    HA   ARG  51           HA       ARG  51   3.259   2.010   9.790
  362    HB2  ARG  51           HB2      ARG  51   0.875   1.907   9.042
  363    HB3  ARG  51           HB1      ARG  51   1.371   0.804   7.775
  364    HG2  ARG  51           HG2      ARG  51   2.184  -0.741   9.545
  365    HG3  ARG  51           HG1      ARG  51   1.459   0.348  10.736
  366    HD2  ARG  51           HD2      ARG  51  -0.728   0.079   9.557
  367    HD3  ARG  51           HD1      ARG  51   0.051  -1.095   8.510
  368    HE   ARG  51           HE       ARG  51  -0.260  -1.382  11.398
  369   HH11  ARG  51          HH11      ARG  51  -0.125  -2.736   8.148
  370   HH12  ARG  51          HH12      ARG  51  -0.449  -4.355   8.627
  371   HH21  ARG  51          HH21      ARG  51  -0.754  -3.600  12.080
  372   HH22  ARG  51          HH22      ARG  51  -0.812  -4.870  10.924
  373    H    LEU  52           HN       LEU  52   3.641   1.548   6.368
  374    HA   LEU  52           HA       LEU  52   4.915  -1.005   6.465
  375    HB2  LEU  52           HB2      LEU  52   4.897   1.119   4.332
  376    HB3  LEU  52           HB1      LEU  52   5.599  -0.471   4.130
  377    HG   LEU  52           HG       LEU  52   2.685   0.081   4.679
  378   HD11  LEU  52          HD11      LEU  52   2.351  -0.615   2.364
  379   HD12  LEU  52          HD12      LEU  52   4.098  -0.743   2.149
  380   HD13  LEU  52          HD13      LEU  52   3.358   0.828   2.464
  381   HD21  LEU  52          HD21      LEU  52   4.150  -2.458   4.003
  382   HD22  LEU  52          HD22      LEU  52   2.401  -2.287   4.156
  383   HD23  LEU  52          HD23      LEU  52   3.439  -2.048   5.565
  384    H    GLU  53           HN       GLU  53   5.964   2.308   6.431
  385    HA   GLU  53           HA       GLU  53   8.665   1.983   5.907
  386    HB2  GLU  53           HB2      GLU  53   7.321   4.068   7.611
  387    HB3  GLU  53           HB1      GLU  53   8.963   4.170   6.986
  388    HG2  GLU  53           HG2      GLU  53   8.127   4.146   4.724
  389    HG3  GLU  53           HG1      GLU  53   6.473   3.999   5.308
  390    H    SER  54           HN       SER  54   7.178   2.407   9.133
  391    HA   SER  54           HA       SER  54   9.552   1.924  10.505
  392    HB2  SER  54           HB2      SER  54   7.912   1.634  12.443
  393    HB3  SER  54           HB1      SER  54   7.887   3.175  11.583
  394    HG   SER  54           HG       SER  54   5.803   2.206  11.970
  395    H    ARG  55           HN       ARG  55   6.937  -0.199   9.533
  396    HA   ARG  55           HA       ARG  55   7.640  -2.419  11.145
  397    HB2  ARG  55           HB2      ARG  55   5.411  -2.032  10.106
  398    HB3  ARG  55           HB1      ARG  55   6.105  -2.473   8.555
  399    HG2  ARG  55           HG2      ARG  55   6.580  -4.720   9.417
  400    HG3  ARG  55           HG1      ARG  55   5.873  -4.264  10.971
  401    HD2  ARG  55           HD2      ARG  55   3.762  -3.709   9.730
  402    HD3  ARG  55           HD1      ARG  55   4.496  -4.421   8.298
  403    HE   ARG  55           HE       ARG  55   4.638  -6.294  10.372
  404   HH11  ARG  55          HH11      ARG  55   2.242  -4.867   8.202
  405   HH12  ARG  55          HH12      ARG  55   1.036  -6.034   8.511
  406   HH21  ARG  55          HH21      ARG  55   2.989  -7.933  10.786
  407   HH22  ARG  55          HH22      ARG  55   1.508  -7.833   9.977
  408    H    TYR  56           HN       TYR  56   8.343  -1.733   7.708
  409    HA   TYR  56           HA       TYR  56   9.966  -4.170   7.668
  410    HB2  TYR  56           HB2      TYR  56   8.997  -2.465   5.373
  411    HB3  TYR  56           HB1      TYR  56  10.002  -3.900   5.201
  412    HD1  TYR  56           HD2      TYR  56   9.051  -6.132   6.014
  413    HD2  TYR  56           HD1      TYR  56   6.656  -2.648   5.525
  414    HE1  TYR  56           HE2      TYR  56   7.030  -7.534   5.968
  415    HE2  TYR  56           HE1      TYR  56   4.640  -4.031   5.473
  416    HH   TYR  56           HH       TYR  56   4.597  -7.311   6.407
  417    H    GLY  57           HN       GLY  57  10.456  -0.872   8.055
  418    HA2  GLY  57           HA2      GLY  57  12.488   0.165   8.421
  419    HA3  GLY  57           HA1      GLY  57  13.305  -1.277   7.833
  420    H    VAL  58           HN       VAL  58  10.844   0.683   6.287
  421    HA   VAL  58           HA       VAL  58  12.761   1.287   4.149
  422    HB   VAL  58           HB       VAL  58  10.934   1.303   2.501
  423   HG11  VAL  58          HG11      VAL  58  10.432  -1.072   2.390
  424   HG12  VAL  58          HG12      VAL  58  10.980  -1.262   4.054
  425   HG13  VAL  58          HG13      VAL  58  12.128  -0.783   2.796
  426   HG21  VAL  58          HG21      VAL  58   8.692   0.463   3.057
  427   HG22  VAL  58          HG22      VAL  58   9.081   1.937   3.944
  428   HG23  VAL  58          HG23      VAL  58   9.159   0.372   4.756
  429    H    SER  59           HN       SER  59  11.918   3.280   2.829
  430    HA   SER  59           HA       SER  59  10.511   5.143   4.519
  431    HB2  SER  59           HB2      SER  59  12.290   6.862   3.764
  432    HB3  SER  59           HB1      SER  59  12.749   5.730   5.035
  433    HG   SER  59           HG       SER  59  14.202   6.102   3.078
  434    H    ILE  60           HN       ILE  60   8.883   5.977   3.369
  435    HA   ILE  60           HA       ILE  60   8.982   5.701   0.463
  436    HB   ILE  60           HB       ILE  60   6.614   6.269   2.278
  437   HG12  ILE  60          HG12      ILE  60   7.435   3.729   0.843
  438   HG13  ILE  60          HG11      ILE  60   7.541   4.010   2.576
  439   HG21  ILE  60          HG21      ILE  60   5.239   5.821   0.277
  440   HG22  ILE  60          HG22      ILE  60   6.708   5.653  -0.686
  441   HG23  ILE  60          HG23      ILE  60   6.305   7.210   0.042
  442   HD11  ILE  60          HD11      ILE  60   5.108   4.180   2.684
  443   HD12  ILE  60          HD12      ILE  60   5.628   2.631   2.019
  444   HD13  ILE  60          HD13      ILE  60   5.011   3.890   0.949
  445    HA   PRO  61           HA       PRO  61   9.951  10.108   0.458
  446    HB2  PRO  61           HB2      PRO  61   9.615   9.632  -2.459
  447    HB3  PRO  61           HB1      PRO  61  10.962  10.385  -1.593
  448    HG2  PRO  61           HG2      PRO  61  11.210   7.942  -2.589
  449    HG3  PRO  61           HG1      PRO  61  11.889   8.344  -0.997
  450    HD2  PRO  61           HD2      PRO  61   9.378   6.859  -1.663
  451    HD3  PRO  61           HD1      PRO  61  10.592   6.524  -0.409
  452    H    ASP  62           HN       ASP  62   8.730  11.905   0.211
  453    HA   ASP  62           HA       ASP  62   5.939  11.689   0.360
  454    HB2  ASP  62           HB2      ASP  62   7.203  13.519   1.377
  455    HB3  ASP  62           HB1      ASP  62   7.630  14.122  -0.220
  456    H    ASP  63           HN       ASP  63   8.041  12.442  -2.335
  457    HA   ASP  63           HA       ASP  63   5.990  13.292  -4.138
  458    HB2  ASP  63           HB2      ASP  63   8.806  12.318  -4.573
  459    HB3  ASP  63           HB1      ASP  63   7.745  12.717  -5.911
  460    H    VAL  64           HN       VAL  64   7.412  10.240  -3.305
  461    HA   VAL  64           HA       VAL  64   6.296   8.952  -5.585
  462    HB   VAL  64           HB       VAL  64   7.536   7.656  -3.139
  463   HG11  VAL  64          HG11      VAL  64   6.087   6.130  -4.391
  464   HG12  VAL  64          HG12      VAL  64   7.781   5.687  -4.581
  465   HG13  VAL  64          HG13      VAL  64   6.939   6.531  -5.882
  466   HG21  VAL  64          HG21      VAL  64   9.534   7.421  -4.542
  467   HG22  VAL  64          HG22      VAL  64   9.109   9.118  -4.307
  468   HG23  VAL  64          HG23      VAL  64   8.732   8.318  -5.833
  469    H    ALA  65           HN       ALA  65   5.449   9.410  -2.242
  470    HA   ALA  65           HA       ALA  65   3.385   7.530  -2.003
  471    HB1  ALA  65           HB1      ALA  65   3.614  10.202  -0.617
  472    HB2  ALA  65           HB2      ALA  65   4.391   8.708  -0.093
  473    HB3  ALA  65           HB3      ALA  65   2.634   8.834  -0.087
  474    H    GLY  66           HN       GLY  66   3.447  10.559  -3.672
  475    HA2  GLY  66           HA2      GLY  66   0.534  10.637  -3.836
  476    HA3  GLY  66           HA1      GLY  66   1.640  11.872  -4.413
  477    H    ARG  67           HN       ARG  67   3.163   9.452  -5.683
  478    HA   ARG  67           HA       ARG  67   1.613   9.645  -8.170
  479    HB2  ARG  67           HB2      ARG  67   3.649   9.013  -9.357
  480    HB3  ARG  67           HB1      ARG  67   3.927  10.403  -8.321
  481    HG2  ARG  67           HG2      ARG  67   4.880   8.832  -6.641
  482    HG3  ARG  67           HG1      ARG  67   4.775   7.560  -7.849
  483    HD2  ARG  67           HD2      ARG  67   7.022   8.560  -7.804
  484    HD3  ARG  67           HD1      ARG  67   6.218   8.827  -9.356
  485    HE   ARG  67           HE       ARG  67   5.576  11.040  -8.016
  486   HH11  ARG  67          HH11      ARG  67   8.793   9.496  -8.361
  487   HH12  ARG  67          HH12      ARG  67   9.625  10.974  -8.358
  488   HH21  ARG  67          HH21      ARG  67   6.769  13.054  -8.027
  489   HH22  ARG  67          HH22      ARG  67   8.442  13.057  -8.213
  490    H    VAL  68           HN       VAL  68   1.988   7.540  -5.716
  491    HA   VAL  68           HA       VAL  68   1.830   5.187  -7.367
  492    HB   VAL  68           HB       VAL  68   1.733   3.904  -5.202
  493   HG11  VAL  68          HG11      VAL  68   4.011   5.854  -5.462
  494   HG12  VAL  68          HG12      VAL  68   3.849   4.308  -6.295
  495   HG13  VAL  68          HG13      VAL  68   4.049   4.347  -4.545
  496   HG21  VAL  68          HG21      VAL  68   0.715   5.609  -3.746
  497   HG22  VAL  68          HG22      VAL  68   2.165   6.609  -3.913
  498   HG23  VAL  68          HG23      VAL  68   2.261   5.045  -3.103
  499    H    ASP  69           HN       ASP  69   0.000   5.282  -8.460
  500    HA   ASP  69           HA       ASP  69  -2.498   6.013  -7.147
  501    HB2  ASP  69           HB2      ASP  69  -2.075   5.045  -9.976
  502    HB3  ASP  69           HB1      ASP  69  -3.526   5.797  -9.334
  503    H    THR  70           HN       THR  70  -0.964   3.222  -8.577
  504    HA   THR  70           HA       THR  70  -3.084   1.551  -7.473
  505    HB   THR  70           HB       THR  70  -2.020  -0.266  -8.834
  506    HG1  THR  70           HG1      THR  70  -0.593   1.812 -10.118
  507   HG21  THR  70          HG21      THR  70  -3.930   0.973  -9.741
  508   HG22  THR  70          HG22      THR  70  -2.803   0.533 -11.024
  509   HG23  THR  70          HG23      THR  70  -2.836   2.185 -10.405
  510    HA   PRO  71           HA       PRO  71  -0.474   0.238  -4.111
  511    HB2  PRO  71           HB2      PRO  71  -1.383  -2.501  -4.862
  512    HB3  PRO  71           HB1      PRO  71  -1.410  -1.704  -3.285
  513    HG2  PRO  71           HG2      PRO  71  -3.645  -1.958  -4.659
  514    HG3  PRO  71           HG1      PRO  71  -3.292  -0.435  -3.815
  515    HD2  PRO  71           HD2      PRO  71  -3.070  -1.095  -6.716
  516    HD3  PRO  71           HD1      PRO  71  -3.653   0.391  -5.936
  517    H    ARG  72           HN       ARG  72  -0.369  -1.397  -7.203
  518    HA   ARG  72           HA       ARG  72   1.937  -2.920  -7.099
  519    HB2  ARG  72           HB2      ARG  72   0.406  -2.724  -9.028
  520    HB3  ARG  72           HB1      ARG  72   1.086  -1.138  -9.364
  521    HG2  ARG  72           HG2      ARG  72   3.351  -2.446  -9.412
  522    HG3  ARG  72           HG1      ARG  72   2.302  -3.831  -9.721
  523    HD2  ARG  72           HD2      ARG  72   2.511  -1.294 -11.314
  524    HD3  ARG  72           HD1      ARG  72   2.981  -2.914 -11.808
  525    HE   ARG  72           HE       ARG  72   0.649  -3.534 -11.796
  526   HH11  ARG  72          HH11      ARG  72   1.239   0.019 -11.731
  527   HH12  ARG  72          HH12      ARG  72  -0.222   0.368 -12.507
  528   HH21  ARG  72          HH21      ARG  72  -1.266  -3.019 -12.801
  529   HH22  ARG  72          HH22      ARG  72  -1.696  -1.402 -13.208
  530    H    GLU  73           HN       GLU  73   1.606   0.530  -7.867
  531    HA   GLU  73           HA       GLU  73   4.326   1.034  -8.400
  532    HB2  GLU  73           HB2      GLU  73   2.292   3.016  -7.380
  533    HB3  GLU  73           HB1      GLU  73   3.741   3.361  -8.310
  534    HG2  GLU  73           HG2      GLU  73   1.290   1.914  -9.278
  535    HG3  GLU  73           HG1      GLU  73   1.770   3.558  -9.682
  536    H    LEU  74           HN       LEU  74   2.359   1.216  -5.529
  537    HA   LEU  74           HA       LEU  74   4.288   2.418  -3.832
  538    HB2  LEU  74           HB2      LEU  74   1.772   2.349  -3.486
  539    HB3  LEU  74           HB1      LEU  74   1.932   0.664  -3.066
  540    HG   LEU  74           HG       LEU  74   1.608   2.213  -1.133
  541   HD11  LEU  74          HD11      LEU  74   4.191   0.682  -1.102
  542   HD12  LEU  74          HD12      LEU  74   2.586   0.040  -0.750
  543   HD13  LEU  74          HD13      LEU  74   3.308   1.250   0.316
  544   HD21  LEU  74          HD21      LEU  74   4.379   3.161  -1.839
  545   HD22  LEU  74          HD22      LEU  74   3.491   3.582  -0.374
  546   HD23  LEU  74          HD23      LEU  74   2.894   4.103  -1.949
  547    H    LEU  75           HN       LEU  75   3.300  -0.909  -4.455
  548    HA   LEU  75           HA       LEU  75   4.954  -2.325  -2.734
  549    HB2  LEU  75           HB2      LEU  75   3.163  -3.329  -4.081
  550    HB3  LEU  75           HB1      LEU  75   4.088  -3.026  -5.540
  551    HG   LEU  75           HG       LEU  75   5.815  -4.603  -4.728
  552   HD11  LEU  75          HD11      LEU  75   3.841  -5.123  -2.528
  553   HD12  LEU  75          HD12      LEU  75   5.426  -4.369  -2.359
  554   HD13  LEU  75          HD13      LEU  75   5.300  -6.059  -2.856
  555   HD21  LEU  75          HD21      LEU  75   4.067  -5.370  -6.243
  556   HD22  LEU  75          HD22      LEU  75   3.019  -5.726  -4.870
  557   HD23  LEU  75          HD23      LEU  75   4.512  -6.636  -5.100
  558    H    ASP  76           HN       ASP  76   5.531  -1.251  -6.028
  559    HA   ASP  76           HA       ASP  76   8.115  -2.193  -6.418
  560    HB2  ASP  76           HB2      ASP  76   6.860  -1.309  -8.270
  561    HB3  ASP  76           HB1      ASP  76   6.783   0.282  -7.522
  562    H    LEU  77           HN       LEU  77   7.060   0.861  -4.951
  563    HA   LEU  77           HA       LEU  77   9.642   1.954  -4.625
  564    HB2  LEU  77           HB2      LEU  77   7.514   3.250  -4.519
  565    HB3  LEU  77           HB1      LEU  77   7.127   2.485  -3.004
  566    HG   LEU  77           HG       LEU  77   7.915   4.853  -2.841
  567   HD11  LEU  77          HD11      LEU  77   8.050   3.452  -0.875
  568   HD12  LEU  77          HD12      LEU  77   9.416   4.562  -0.945
  569   HD13  LEU  77          HD13      LEU  77   9.635   2.867  -1.378
  570   HD21  LEU  77          HD21      LEU  77  10.307   5.330  -3.067
  571   HD22  LEU  77          HD22      LEU  77   9.577   4.834  -4.595
  572   HD23  LEU  77          HD23      LEU  77  10.566   3.695  -3.680
  573    H    ILE  78           HN       ILE  78   7.661  -0.091  -2.585
  574    HA   ILE  78           HA       ILE  78   9.317  -0.104  -0.282
  575    HB   ILE  78           HB       ILE  78   7.407  -2.255  -1.272
  576   HG12  ILE  78          HG12      ILE  78   6.258  -0.124  -0.972
  577   HG13  ILE  78          HG11      ILE  78   5.765  -1.263   0.274
  578   HG21  ILE  78          HG21      ILE  78   7.296  -3.000   1.075
  579   HG22  ILE  78          HG22      ILE  78   8.546  -1.832   1.494
  580   HG23  ILE  78          HG23      ILE  78   8.916  -3.163   0.398
  581   HD11  ILE  78          HD11      ILE  78   7.735   0.992   0.607
  582   HD12  ILE  78          HD12      ILE  78   7.240  -0.137   1.870
  583   HD13  ILE  78          HD13      ILE  78   6.064   0.975   1.171
  584    H    ASN  79           HN       ASN  79   8.936  -2.422  -2.935
  585    HA   ASN  79           HA       ASN  79  11.018  -4.130  -2.117
  586    HB2  ASN  79           HB2      ASN  79   9.646  -3.826  -4.773
  587    HB3  ASN  79           HB1      ASN  79  10.921  -5.016  -4.497
  588   HD21  ASN  79          HD21      ASN  79   8.091  -5.435  -5.094
  589   HD22  ASN  79          HD22      ASN  79   7.494  -6.366  -3.762
  590    H    GLY  80           HN       GLY  80  11.037  -1.383  -4.285
  591    HA2  GLY  80           HA2      GLY  80  13.650  -1.632  -5.240
  592    HA3  GLY  80           HA1      GLY  80  12.785  -0.111  -5.034
  593    H    ALA  81           HN       ALA  81  12.390  -0.238  -2.269
  594    HA   ALA  81           HA       ALA  81  14.893   0.728  -1.334
  595    HB1  ALA  81           HB1      ALA  81  12.373   0.097   0.210
  596    HB2  ALA  81           HB2      ALA  81  12.769   1.655  -0.520
  597    HB3  ALA  81           HB3      ALA  81  13.743   1.031   0.812
  598    H    LEU  82           HN       LEU  82  12.951  -2.157  -0.663
  599    HA   LEU  82           HA       LEU  82  14.645  -3.350   1.222
  600    HB2  LEU  82           HB2      LEU  82  12.800  -4.657  -0.773
  601    HB3  LEU  82           HB1      LEU  82  13.591  -5.512   0.532
  602    HG   LEU  82           HG       LEU  82  11.579  -3.285   0.879
  603   HD11  LEU  82          HD11      LEU  82  10.576  -5.319  -0.023
  604   HD12  LEU  82          HD12      LEU  82  10.093  -5.059   1.654
  605   HD13  LEU  82          HD13      LEU  82  11.317  -6.264   1.267
  606   HD21  LEU  82          HD21      LEU  82  13.210  -3.395   2.702
  607   HD22  LEU  82          HD22      LEU  82  12.884  -5.117   2.895
  608   HD23  LEU  82          HD23      LEU  82  11.620  -3.938   3.240
  609    H    ALA  83           HN       ALA  83  14.753  -3.424  -2.265
  610    HA   ALA  83           HA       ALA  83  16.773  -5.364  -2.511
  611    HB1  ALA  83           HB1      ALA  83  17.031  -4.569  -4.788
  612    HB2  ALA  83           HB2      ALA  83  16.107  -3.113  -4.403
  613    HB3  ALA  83           HB3      ALA  83  15.323  -4.694  -4.366
  614    H    GLU  84           HN       GLU  84  17.014  -1.795  -2.607
  615    HA   GLU  84           HA       GLU  84  19.886  -2.011  -2.750
  616    HB2  GLU  84           HB2      GLU  84  19.889   0.447  -2.912
  617    HB3  GLU  84           HB1      GLU  84  18.894  -0.343  -4.124
  618    HG2  GLU  84           HG2      GLU  84  16.893   0.215  -2.866
  619    HG3  GLU  84           HG1      GLU  84  17.878   0.957  -1.610
  620    H    ALA  85           HN       ALA  85  17.584  -0.983  -0.267
  621    HA   ALA  85           HA       ALA  85  19.709   0.054   1.379
  622    HB1  ALA  85           HB1      ALA  85  17.520   1.162   1.377
  623    HB2  ALA  85           HB2      ALA  85  17.948   0.568   2.983
  624    HB3  ALA  85           HB3      ALA  85  16.779  -0.313   2.000
  625    H    ALA  86           HN       ALA  86  20.152  -0.720   3.463
  626    HA   ALA  86           HA       ALA  86  19.677  -3.594   3.743
  627    HB1  ALA  86           HB1      ALA  86  22.021  -3.103   3.215
  628    HB2  ALA  86           HB2      ALA  86  21.862  -3.705   4.867
  629    HB3  ALA  86           HB3      ALA  86  22.096  -1.982   4.577
  630    H28  SXH  87          H28B      SXH  87  -4.212  12.299   3.531
  631   H28A  SXH  87          H28A      SXH  87  -5.323  13.003   4.710
  632    H30  SXH  87          H30C      SXH  87  -3.580  12.849   6.341
  633   H30A  SXH  87          H30A      SXH  87  -2.008  13.605   6.075
  634   H30B  SXH  87          H30B      SXH  87  -2.485  12.197   5.123
  635    H31  SXH  87          H31A      SXH  87  -2.898  14.865   2.694
  636   H31A  SXH  87          H31C      SXH  87  -1.584  14.847   3.878
  637   H31B  SXH  87          H31B      SXH  87  -2.077  13.362   3.043
  638    H32  SXH  87          H32A      SXH  87  -4.794  15.104   5.891
  639   HO33  SXH  87          H33A      SXH  87  -4.831  15.517   3.494
  640   HN36  SXH  87          H36A      SXH  87  -3.187  15.030   7.548
  641    H37  SXH  87          H37A      SXH  87  -0.788  16.684   7.466
  642   H37A  SXH  87          H37B      SXH  87  -2.096  17.328   8.437
  643    H38  SXH  87          H38A      SXH  87  -0.579  16.165   9.843
  644   H38A  SXH  87          H38B      SXH  87  -2.122  15.290   9.818
  645   HN41  SXH  87          H41A      SXH  87  -0.083  14.984   7.117
  646    H42  SXH  87          H42A      SXH  87   1.828  13.106   7.686
  647   H42A  SXH  87          H42B      SXH  87   0.341  12.189   7.484
  648    H43  SXH  87          H43A      SXH  87   1.598  13.991   5.426
  649   H43A  SXH  87          H43B      SXH  87   0.030  13.186   5.277
  650    H2   SXH  87           H2A      SXH  87   2.423  10.030   3.243
  651    H2A  SXH  87           H2B      SXH  87   2.700  11.058   1.826
  652    H3   SXH  87           H3A      SXH  87   0.040   9.974   2.786
  653    H3A  SXH  87           H3B      SXH  87   0.973   9.354   1.425
  654    H4   SXH  87           H4B      SXH  87  -0.175  12.138   1.611
  655    H4A  SXH  87           H4A      SXH  87   0.712  11.461   0.244
  656    H5   SXH  87           H5A      SXH  87  -1.936  10.456   1.308
  657    H5A  SXH  87           H5B      SXH  87  -1.030   9.779  -0.061
  658    H6   SXH  87           H6C      SXH  87  -2.812  11.289  -0.810
  659    H6A  SXH  87           H6A      SXH  87  -1.223  11.925  -1.225
  660    H6B  SXH  87           H6B      SXH  87  -2.108  12.594   0.144
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  17.531 -12.963   1.949
    2    H2   MET   1           HT2      MET   1  17.056 -13.648   3.390
    3    H3   MET   1           HT3      MET   1  18.564 -14.045   2.721
    4    HA   MET   1           HA       MET   1  18.741 -12.445   4.585
    5    HB2  MET   1           HB2      MET   1  19.282 -11.137   1.899
    6    HB3  MET   1           HB1      MET   1  19.979 -10.651   3.433
    7    HG2  MET   1           HG2      MET   1  21.162 -12.767   3.577
    8    HG3  MET   1           HG1      MET   1  20.433 -13.279   2.056
    9    HE1  MET   1           HE1      MET   1  22.000 -10.672  -0.460
   10    HE2  MET   1           HE2      MET   1  20.486 -10.495   0.435
   11    HE3  MET   1           HE3      MET   1  20.906 -12.048  -0.293
   12    H    ALA   2           HN       ALA   2  17.462 -10.637   1.800
   13    HA   ALA   2           HA       ALA   2  15.904  -9.034   3.666
   14    HB1  ALA   2           HB1      ALA   2  16.566  -8.579   0.751
   15    HB2  ALA   2           HB2      ALA   2  17.373  -7.822   2.124
   16    HB3  ALA   2           HB3      ALA   2  15.678  -7.464   1.794
   17    H    THR   3           HN       THR   3  13.781  -9.224   3.735
   18    HA   THR   3           HA       THR   3  12.520 -11.263   2.124
   19    HB   THR   3           HB       THR   3  11.469  -9.538   4.330
   20    HG1  THR   3           HG1      THR   3  12.985 -11.883   4.258
   21   HG21  THR   3          HG21      THR   3   9.725 -10.649   3.011
   22   HG22  THR   3          HG22      THR   3   9.822 -11.360   4.623
   23   HG23  THR   3          HG23      THR   3  10.530 -12.202   3.247
   24    H    LEU   4           HN       LEU   4  11.986 -10.461   0.141
   25    HA   LEU   4           HA       LEU   4  11.098  -7.778  -0.213
   26    HB2  LEU   4           HB2      LEU   4  10.976 -10.154  -2.075
   27    HB3  LEU   4           HB1      LEU   4  10.572  -8.510  -2.527
   28    HG   LEU   4           HG       LEU   4  13.303  -9.486  -1.678
   29   HD11  LEU   4          HD11      LEU   4  13.928  -9.046  -3.998
   30   HD12  LEU   4          HD12      LEU   4  12.255  -8.632  -4.369
   31   HD13  LEU   4          HD13      LEU   4  12.669 -10.279  -3.882
   32   HD21  LEU   4          HD21      LEU   4  12.920  -7.167  -0.995
   33   HD22  LEU   4          HD22      LEU   4  12.414  -6.760  -2.635
   34   HD23  LEU   4          HD23      LEU   4  14.078  -7.255  -2.322
   35    H    LEU   5           HN       LEU   5   9.011  -7.154  -0.826
   36    HA   LEU   5           HA       LEU   5   7.032  -8.547   0.741
   37    HB2  LEU   5           HB2      LEU   5   7.544  -6.053   0.881
   38    HB3  LEU   5           HB1      LEU   5   6.896  -5.903  -0.722
   39    HG   LEU   5           HG       LEU   5   5.172  -6.936   1.533
   40   HD11  LEU   5          HD11      LEU   5   5.595  -4.070   0.701
   41   HD12  LEU   5          HD12      LEU   5   6.090  -4.783   2.238
   42   HD13  LEU   5          HD13      LEU   5   4.378  -4.647   1.838
   43   HD21  LEU   5          HD21      LEU   5   3.385  -6.033   0.147
   44   HD22  LEU   5          HD22      LEU   5   4.350  -7.208  -0.747
   45   HD23  LEU   5          HD23      LEU   5   4.572  -5.483  -1.034
   46    H    THR   6           HN       THR   6   5.557  -9.835  -0.163
   47    HA   THR   6           HA       THR   6   5.247  -9.734  -3.070
   48    HB   THR   6           HB       THR   6   4.391 -12.068  -2.882
   49    HG1  THR   6           HG1      THR   6   4.932 -11.612  -0.112
   50   HG21  THR   6          HG21      THR   6   6.780 -11.710  -3.339
   51   HG22  THR   6          HG22      THR   6   6.538 -13.151  -2.356
   52   HG23  THR   6          HG23      THR   6   7.105 -11.656  -1.608
   53    H    THR   7           HN       THR   7   2.869 -10.755  -3.590
   54    HA   THR   7           HA       THR   7   1.045  -8.796  -2.835
   55    HB   THR   7           HB       THR   7   0.343 -11.556  -3.909
   56    HG1  THR   7           HG1      THR   7   1.865 -10.553  -5.250
   57   HG21  THR   7          HG21      THR   7  -1.059  -8.876  -4.127
   58   HG22  THR   7          HG22      THR   7  -1.578 -10.219  -3.113
   59   HG23  THR   7          HG23      THR   7  -1.594 -10.383  -4.870
   60    H    ASP   8           HN       ASP   8   1.747 -11.886  -1.391
   61    HA   ASP   8           HA       ASP   8  -0.454 -12.129   0.362
   62    HB2  ASP   8           HB2      ASP   8   2.414 -13.038   0.802
   63    HB3  ASP   8           HB1      ASP   8   1.092 -13.444   1.879
   64    H    ASP   9           HN       ASP   9   2.686 -10.629   0.834
   65    HA   ASP   9           HA       ASP   9   2.272  -9.666   3.474
   66    HB2  ASP   9           HB2      ASP   9   4.093  -8.489   1.359
   67    HB3  ASP   9           HB1      ASP   9   4.234  -8.282   3.096
   68    H    LEU  10           HN       LEU  10   1.773  -8.432   0.281
   69    HA   LEU  10           HA       LEU  10   1.269  -5.738   0.878
   70    HB2  LEU  10           HB2      LEU  10   1.861  -6.756  -1.348
   71    HB3  LEU  10           HB1      LEU  10   0.214  -7.328  -1.454
   72    HG   LEU  10           HG       LEU  10  -0.571  -4.976  -1.434
   73   HD11  LEU  10          HD11      LEU  10   1.062  -3.190  -1.808
   74   HD12  LEU  10          HD12      LEU  10   2.377  -4.349  -1.611
   75   HD13  LEU  10          HD13      LEU  10   1.317  -3.976  -0.249
   76   HD21  LEU  10          HD21      LEU  10   1.447  -5.674  -3.562
   77   HD22  LEU  10          HD22      LEU  10   0.163  -4.474  -3.708
   78   HD23  LEU  10          HD23      LEU  10  -0.241  -6.180  -3.522
   79    H    ARG  11           HN       ARG  11  -1.004  -8.444   0.211
   80    HA   ARG  11           HA       ARG  11  -3.411  -7.119   0.610
   81    HB2  ARG  11           HB2      ARG  11  -2.757  -9.955   1.448
   82    HB3  ARG  11           HB1      ARG  11  -4.374  -9.283   1.417
   83    HG2  ARG  11           HG2      ARG  11  -4.163  -8.971  -1.000
   84    HG3  ARG  11           HG1      ARG  11  -2.570  -9.751  -0.950
   85    HD2  ARG  11           HD2      ARG  11  -5.264 -10.912  -0.268
   86    HD3  ARG  11           HD1      ARG  11  -4.217 -11.379  -1.610
   87    HE   ARG  11           HE       ARG  11  -3.868 -12.019   1.229
   88   HH11  ARG  11          HH11      ARG  11  -2.872 -12.611  -2.135
   89   HH12  ARG  11          HH12      ARG  11  -1.834 -13.892  -1.706
   90   HH21  ARG  11          HH21      ARG  11  -2.562 -13.753   1.745
   91   HH22  ARG  11          HH22      ARG  11  -1.587 -14.536   0.552
   92    H    ARG  12           HN       ARG  12  -1.318  -8.652   3.090
   93    HA   ARG  12           HA       ARG  12  -2.993  -8.307   5.210
   94    HB2  ARG  12           HB2      ARG  12  -1.370  -9.928   5.366
   95    HB3  ARG  12           HB1      ARG  12  -0.112  -8.874   4.745
   96    HG2  ARG  12           HG2      ARG  12  -0.073  -7.672   6.570
   97    HG3  ARG  12           HG1      ARG  12  -1.417  -8.491   7.412
   98    HD2  ARG  12           HD2      ARG  12   0.667  -9.387   8.314
   99    HD3  ARG  12           HD1      ARG  12  -0.034 -10.611   7.258
  100    HE   ARG  12           HE       ARG  12   2.160  -8.813   6.478
  101   HH11  ARG  12          HH11      ARG  12   0.555 -11.989   6.344
  102   HH12  ARG  12          HH12      ARG  12   1.841 -12.711   5.466
  103   HH21  ARG  12          HH21      ARG  12   3.944  -9.968   5.255
  104   HH22  ARG  12          HH22      ARG  12   3.669 -11.597   4.870
  105    H    ALA  13           HN       ALA  13  -0.248  -6.347   4.069
  106    HA   ALA  13           HA       ALA  13  -0.323  -4.515   6.208
  107    HB1  ALA  13           HB1      ALA  13   1.147  -3.146   4.843
  108    HB2  ALA  13           HB2      ALA  13   0.759  -4.124   3.425
  109    HB3  ALA  13           HB3      ALA  13   1.631  -4.839   4.781
  110    H    LEU  14           HN       LEU  14  -1.744  -4.396   2.940
  111    HA   LEU  14           HA       LEU  14  -2.820  -1.847   3.159
  112    HB2  LEU  14           HB2      LEU  14  -3.324  -4.249   1.452
  113    HB3  LEU  14           HB1      LEU  14  -4.379  -2.861   1.340
  114    HG   LEU  14           HG       LEU  14  -2.522  -3.131  -0.356
  115   HD11  LEU  14          HD11      LEU  14  -3.794  -1.056  -0.128
  116   HD12  LEU  14          HD12      LEU  14  -2.102  -0.679  -0.461
  117   HD13  LEU  14          HD13      LEU  14  -2.733  -0.529   1.178
  118   HD21  LEU  14          HD21      LEU  14  -0.648  -3.613   1.098
  119   HD22  LEU  14          HD22      LEU  14  -0.828  -2.050   1.895
  120   HD23  LEU  14          HD23      LEU  14  -0.335  -2.126   0.202
  121    H    VAL  15           HN       VAL  15  -4.251  -5.066   3.810
  122    HA   VAL  15           HA       VAL  15  -6.774  -3.966   4.436
  123    HB   VAL  15           HB       VAL  15  -6.349  -6.362   3.689
  124   HG11  VAL  15          HG11      VAL  15  -5.756  -6.817   6.586
  125   HG12  VAL  15          HG12      VAL  15  -4.661  -7.032   5.218
  126   HG13  VAL  15          HG13      VAL  15  -6.071  -8.078   5.391
  127   HG21  VAL  15          HG21      VAL  15  -8.560  -5.625   4.320
  128   HG22  VAL  15          HG22      VAL  15  -8.215  -5.954   6.022
  129   HG23  VAL  15          HG23      VAL  15  -8.284  -7.281   4.856
  130    H    GLU  16           HN       GLU  16  -3.963  -4.135   6.288
  131    HA   GLU  16           HA       GLU  16  -5.248  -3.908   8.854
  132    HB2  GLU  16           HB2      GLU  16  -2.463  -3.246   7.920
  133    HB3  GLU  16           HB1      GLU  16  -2.997  -3.011   9.573
  134    HG2  GLU  16           HG2      GLU  16  -3.413  -5.398   9.770
  135    HG3  GLU  16           HG1      GLU  16  -2.895  -5.624   8.099
  136    H    SER  17           HN       SER  17  -4.073  -1.773   6.392
  137    HA   SER  17           HA       SER  17  -4.369   0.624   7.951
  138    HB2  SER  17           HB2      SER  17  -3.755   0.271   5.020
  139    HB3  SER  17           HB1      SER  17  -3.414   1.685   6.023
  140    HG   SER  17           HG       SER  17  -2.138  -0.829   5.982
  141    H    ALA  18           HN       ALA  18  -6.375  -1.324   6.130
  142    HA   ALA  18           HA       ALA  18  -8.604   0.449   6.360
  143    HB1  ALA  18           HB1      ALA  18  -7.721  -0.542   3.649
  144    HB2  ALA  18           HB2      ALA  18  -7.768   1.158   4.151
  145    HB3  ALA  18           HB3      ALA  18  -9.267   0.224   3.998
  146    H    GLY  19           HN       GLY  19  -9.434  -1.073   7.655
  147    HA2  GLY  19           HA2      GLY  19  -9.226  -3.798   6.842
  148    HA3  GLY  19           HA1      GLY  19  -9.830  -3.228   8.399
  149    H    GLU  20           HN       GLU  20 -10.565  -3.472   4.999
  150    HA   GLU  20           HA       GLU  20 -13.351  -3.109   5.255
  151    HB2  GLU  20           HB2      GLU  20 -11.736  -4.532   3.128
  152    HB3  GLU  20           HB1      GLU  20 -13.470  -4.253   3.012
  153    HG2  GLU  20           HG2      GLU  20 -11.356  -2.122   3.233
  154    HG3  GLU  20           HG1      GLU  20 -12.212  -2.584   1.760
  155    H    THR  21           HN       THR  21 -14.474  -4.245   6.565
  156    HA   THR  21           HA       THR  21 -13.849  -6.675   7.723
  157    HB   THR  21           HB       THR  21 -16.601  -5.463   7.431
  158    HG1  THR  21           HG1      THR  21 -14.299  -4.715   8.901
  159   HG21  THR  21          HG21      THR  21 -16.511  -7.690   8.509
  160   HG22  THR  21          HG22      THR  21 -16.942  -6.430   9.666
  161   HG23  THR  21          HG23      THR  21 -15.303  -7.086   9.646
  162    H    ASP  22           HN       ASP  22 -13.346  -8.155   6.147
  163    HA   ASP  22           HA       ASP  22 -13.546  -9.949   4.827
  164    HB2  ASP  22           HB2      ASP  22 -15.377 -10.533   6.525
  165    HB3  ASP  22           HB1      ASP  22 -16.535  -9.936   5.343
  166    H    GLY  23           HN       GLY  23 -14.007  -7.219   3.931
  167    HA2  GLY  23           HA2      GLY  23 -15.777  -7.368   1.672
  168    HA3  GLY  23           HA1      GLY  23 -14.748  -6.003   2.118
  169    H    THR  24           HN       THR  24 -15.191  -8.422  -0.037
  170    HA   THR  24           HA       THR  24 -12.421  -9.076  -0.427
  171    HB   THR  24           HB       THR  24 -14.670  -9.884  -2.274
  172    HG1  THR  24           HG1      THR  24 -14.535 -10.300   0.417
  173   HG21  THR  24          HG21      THR  24 -12.356 -10.530  -2.805
  174   HG22  THR  24          HG22      THR  24 -13.325 -11.949  -2.359
  175   HG23  THR  24          HG23      THR  24 -12.210 -11.218  -1.189
  176    H    ASP  25           HN       ASP  25 -13.059  -6.355  -0.727
  177    HA   ASP  25           HA       ASP  25 -12.739  -5.764  -3.593
  178    HB2  ASP  25           HB2      ASP  25 -12.903  -3.859  -1.233
  179    HB3  ASP  25           HB1      ASP  25 -12.865  -3.399  -2.927
  180    H    LEU  26           HN       LEU  26 -11.085  -6.144  -0.677
  181    HA   LEU  26           HA       LEU  26  -8.592  -5.081  -1.808
  182    HB2  LEU  26           HB2      LEU  26  -9.510  -3.613  -0.063
  183    HB3  LEU  26           HB1      LEU  26  -9.563  -4.964   1.045
  184    HG   LEU  26           HG       LEU  26  -7.089  -5.087   0.952
  185   HD11  LEU  26          HD11      LEU  26  -5.850  -3.211   0.012
  186   HD12  LEU  26          HD12      LEU  26  -7.348  -2.530  -0.618
  187   HD13  LEU  26          HD13      LEU  26  -6.750  -4.071  -1.238
  188   HD21  LEU  26          HD21      LEU  26  -8.231  -3.902   2.735
  189   HD22  LEU  26          HD22      LEU  26  -8.255  -2.432   1.759
  190   HD23  LEU  26          HD23      LEU  26  -6.720  -3.100   2.314
  191    H    SER  27           HN       SER  27 -10.133  -7.364   0.486
  192    HA   SER  27           HA       SER  27  -7.789  -8.868   0.890
  193    HB2  SER  27           HB2      SER  27 -10.671  -9.634   1.340
  194    HB3  SER  27           HB1      SER  27  -9.252 -10.362   2.102
  195    HG   SER  27           HG       SER  27 -10.062  -8.898   3.545
  196    H    GLY  28           HN       GLY  28  -7.036  -9.372  -1.143
  197    HA2  GLY  28           HA2      GLY  28  -7.150 -11.767  -2.199
  198    HA3  GLY  28           HA1      GLY  28  -8.645 -11.104  -2.864
  199    H    ASP  29           HN       ASP  29  -8.563  -9.501  -4.384
  200    HA   ASP  29           HA       ASP  29  -5.894  -8.871  -5.417
  201    HB2  ASP  29           HB2      ASP  29  -6.739  -8.803  -7.695
  202    HB3  ASP  29           HB1      ASP  29  -7.163 -10.359  -7.003
  203    H    PHE  30           HN       PHE  30  -5.799  -6.795  -6.538
  204    HA   PHE  30           HA       PHE  30  -7.534  -4.668  -6.174
  205    HB2  PHE  30           HB2      PHE  30  -6.813  -3.569  -4.100
  206    HB3  PHE  30           HB1      PHE  30  -7.418  -5.175  -3.723
  207    HD1  PHE  30           HD1      PHE  30  -5.663  -7.035  -3.334
  208    HD2  PHE  30           HD2      PHE  30  -4.699  -2.889  -3.411
  209    HE1  PHE  30           HE1      PHE  30  -3.558  -7.493  -2.130
  210    HE2  PHE  30           HE2      PHE  30  -2.611  -3.357  -2.210
  211    HZ   PHE  30           HZ       PHE  30  -2.048  -5.663  -1.573
  212    H    LEU  31           HN       LEU  31  -4.366  -5.951  -6.215
  213    HA   LEU  31           HA       LEU  31  -2.589  -3.871  -6.422
  214    HB2  LEU  31           HB2      LEU  31  -2.053  -6.269  -6.227
  215    HB3  LEU  31           HB1      LEU  31  -2.567  -6.502  -7.879
  216    HG   LEU  31           HG       LEU  31  -0.702  -5.042  -8.631
  217   HD11  LEU  31          HD11      LEU  31  -0.414  -3.742  -6.608
  218   HD12  LEU  31          HD12      LEU  31   1.092  -4.542  -7.064
  219   HD13  LEU  31          HD13      LEU  31   0.114  -5.182  -5.741
  220   HD21  LEU  31          HD21      LEU  31   1.059  -6.694  -8.223
  221   HD22  LEU  31          HD22      LEU  31  -0.476  -7.468  -8.628
  222   HD23  LEU  31          HD23      LEU  31   0.075  -7.427  -6.955
  223    H    ASP  32           HN       ASP  32  -4.830  -4.999  -8.793
  224    HA   ASP  32           HA       ASP  32  -3.506  -3.613 -10.993
  225    HB2  ASP  32           HB2      ASP  32  -4.318  -5.871 -11.387
  226    HB3  ASP  32           HB1      ASP  32  -5.942  -5.399 -10.917
  227    H    LEU  33           HN       LEU  33  -6.117  -3.125  -8.818
  228    HA   LEU  33           HA       LEU  33  -7.354  -1.077 -10.491
  229    HB2  LEU  33           HB2      LEU  33  -8.086  -2.053  -7.723
  230    HB3  LEU  33           HB1      LEU  33  -9.008  -0.910  -8.673
  231    HG   LEU  33           HG       LEU  33  -8.576  -3.826  -9.319
  232   HD11  LEU  33          HD11      LEU  33 -10.100  -3.475  -7.479
  233   HD12  LEU  33          HD12      LEU  33 -10.976  -4.018  -8.909
  234   HD13  LEU  33          HD13      LEU  33 -11.024  -2.317  -8.436
  235   HD21  LEU  33          HD21      LEU  33 -10.192  -1.739 -10.788
  236   HD22  LEU  33          HD22      LEU  33 -10.166  -3.462 -11.153
  237   HD23  LEU  33          HD23      LEU  33  -8.705  -2.492 -11.365
  238    H    ARG  34           HN       ARG  34  -7.580   1.143  -9.597
  239    HA   ARG  34           HA       ARG  34  -5.123   1.921  -8.320
  240    HB2  ARG  34           HB2      ARG  34  -7.509   3.567  -9.181
  241    HB3  ARG  34           HB1      ARG  34  -6.058   4.238  -8.466
  242    HG2  ARG  34           HG2      ARG  34  -5.838   4.607 -10.774
  243    HG3  ARG  34           HG1      ARG  34  -4.817   3.217 -10.396
  244    HD2  ARG  34           HD2      ARG  34  -6.454   1.698 -11.260
  245    HD3  ARG  34           HD1      ARG  34  -7.593   3.018 -11.521
  246    HE   ARG  34           HE       ARG  34  -5.324   3.683 -12.901
  247   HH11  ARG  34          HH11      ARG  34  -7.663   1.028 -12.978
  248   HH12  ARG  34          HH12      ARG  34  -7.581   0.749 -14.645
  249   HH21  ARG  34          HH21      ARG  34  -5.197   3.326 -15.279
  250   HH22  ARG  34          HH22      ARG  34  -6.143   2.117 -15.999
  251    H    PHE  35           HN       PHE  35  -5.065   3.266  -6.400
  252    HA   PHE  35           HA       PHE  35  -6.438   2.234  -4.203
  253    HB2  PHE  35           HB2      PHE  35  -5.064   4.912  -4.510
  254    HB3  PHE  35           HB1      PHE  35  -5.714   4.335  -2.981
  255    HD1  PHE  35           HD1      PHE  35  -4.853   2.010  -2.192
  256    HD2  PHE  35           HD2      PHE  35  -2.874   4.439  -5.064
  257    HE1  PHE  35           HE1      PHE  35  -2.748   0.828  -1.728
  258    HE2  PHE  35           HE2      PHE  35  -0.765   3.263  -4.611
  259    HZ   PHE  35           HZ       PHE  35  -0.696   1.456  -2.942
  260    H    GLU  36           HN       GLU  36  -7.151   5.046  -6.145
  261    HA   GLU  36           HA       GLU  36  -9.402   6.005  -4.836
  262    HB2  GLU  36           HB2      GLU  36 -10.010   7.023  -7.026
  263    HB3  GLU  36           HB1      GLU  36  -8.337   7.288  -6.561
  264    HG2  GLU  36           HG2      GLU  36  -7.716   5.371  -8.051
  265    HG3  GLU  36           HG1      GLU  36  -9.383   5.364  -8.619
  266    H    ASP  37           HN       ASP  37  -9.115   3.128  -6.770
  267    HA   ASP  37           HA       ASP  37 -11.988   2.885  -7.157
  268    HB2  ASP  37           HB2      ASP  37  -9.751   0.952  -7.811
  269    HB3  ASP  37           HB1      ASP  37 -11.445   0.681  -8.186
  270    H    ILE  38           HN       ILE  38  -9.447   1.601  -5.158
  271    HA   ILE  38           HA       ILE  38 -11.321  -0.272  -3.982
  272    HB   ILE  38           HB       ILE  38  -9.363  -1.175  -2.692
  273   HG12  ILE  38          HG12      ILE  38  -7.798   0.733  -4.456
  274   HG13  ILE  38          HG11      ILE  38  -7.962   0.846  -2.710
  275   HG21  ILE  38          HG21      ILE  38 -10.112  -2.224  -4.744
  276   HG22  ILE  38          HG22      ILE  38  -8.351  -2.299  -4.635
  277   HG23  ILE  38          HG23      ILE  38  -9.121  -1.117  -5.694
  278   HD11  ILE  38          HD11      ILE  38  -6.738  -1.257  -2.461
  279   HD12  ILE  38          HD12      ILE  38  -5.796  -0.055  -3.344
  280   HD13  ILE  38          HD13      ILE  38  -6.581  -1.371  -4.213
  281    H    GLY  39           HN       GLY  39 -11.203   2.683  -3.564
  282    HA2  GLY  39           HA2      GLY  39 -12.164   4.001  -1.949
  283    HA3  GLY  39           HA1      GLY  39 -12.374   2.555  -0.983
  284    H    TYR  40           HN       TYR  40  -9.298   3.849  -2.125
  285    HA   TYR  40           HA       TYR  40  -8.556   4.184   0.660
  286    HB2  TYR  40           HB2      TYR  40  -7.012   3.724  -1.821
  287    HB3  TYR  40           HB1      TYR  40  -6.248   4.663  -0.544
  288    HD1  TYR  40           HD1      TYR  40  -8.061   1.460  -1.097
  289    HD2  TYR  40           HD2      TYR  40  -5.159   3.592   1.144
  290    HE1  TYR  40           HE1      TYR  40  -7.456  -0.604   0.075
  291    HE2  TYR  40           HE2      TYR  40  -4.535   1.560   2.319
  292    HH   TYR  40           HH       TYR  40  -5.577  -0.683   2.872
  293    H    ASP  41           HN       ASP  41  -8.777   5.997   1.533
  294    HA   ASP  41           HA       ASP  41  -8.720   8.485   0.041
  295    HB2  ASP  41           HB2      ASP  41  -8.894   7.940   3.031
  296    HB3  ASP  41           HB1      ASP  41  -9.001   9.529   2.292
  297    H    SER  42           HN       SER  42  -7.122  10.121   0.558
  298    HA   SER  42           HA       SER  42  -4.535   9.213   0.538
  299    HB2  SER  42           HB2      SER  42  -4.193  11.760   1.403
  300    HB3  SER  42           HB1      SER  42  -4.556  11.319  -0.265
  301    H    LEU  43           HN       LEU  43  -6.425  10.181   3.317
  302    HA   LEU  43           HA       LEU  43  -4.622   9.995   5.391
  303    HB2  LEU  43           HB2      LEU  43  -6.971  10.658   5.603
  304    HB3  LEU  43           HB1      LEU  43  -7.462   9.006   5.300
  305    HG   LEU  43           HG       LEU  43  -6.305   8.326   7.394
  306   HD11  LEU  43          HD11      LEU  43  -4.698  10.140   7.552
  307   HD12  LEU  43          HD12      LEU  43  -5.692  10.055   9.009
  308   HD13  LEU  43          HD13      LEU  43  -6.007  11.297   7.797
  309   HD21  LEU  43          HD21      LEU  43  -8.390  10.456   7.651
  310   HD22  LEU  43          HD22      LEU  43  -7.990   9.250   8.882
  311   HD23  LEU  43          HD23      LEU  43  -8.684   8.746   7.333
  312    H    ALA  44           HN       ALA  44  -6.609   7.355   4.061
  313    HA   ALA  44           HA       ALA  44  -5.457   5.309   5.659
  314    HB1  ALA  44           HB1      ALA  44  -7.668   5.090   4.635
  315    HB2  ALA  44           HB2      ALA  44  -6.608   3.754   4.180
  316    HB3  ALA  44           HB3      ALA  44  -6.925   5.059   3.035
  317    H    LEU  45           HN       LEU  45  -4.687   6.667   2.574
  318    HA   LEU  45           HA       LEU  45  -2.901   4.679   1.726
  319    HB2  LEU  45           HB2      LEU  45  -3.896   6.321   0.222
  320    HB3  LEU  45           HB1      LEU  45  -3.018   7.605   1.024
  321    HG   LEU  45           HG       LEU  45  -0.906   6.737   0.175
  322   HD11  LEU  45          HD11      LEU  45  -1.467   4.344   0.168
  323   HD12  LEU  45          HD12      LEU  45  -0.867   4.868  -1.404
  324   HD13  LEU  45          HD13      LEU  45  -2.594   4.616  -1.162
  325   HD21  LEU  45          HD21      LEU  45  -3.024   6.931  -1.931
  326   HD22  LEU  45          HD22      LEU  45  -1.291   7.177  -2.181
  327   HD23  LEU  45          HD23      LEU  45  -2.215   8.298  -1.165
  328    H    MET  46           HN       MET  46  -2.384   7.699   3.569
  329    HA   MET  46           HA       MET  46   0.413   7.139   3.759
  330    HB2  MET  46           HB2      MET  46   0.660   8.968   5.323
  331    HB3  MET  46           HB1      MET  46  -0.387   9.480   4.016
  332    HG2  MET  46           HG2      MET  46  -2.285   9.435   5.379
  333    HG3  MET  46           HG1      MET  46  -1.474   8.516   6.642
  334    HE1  MET  46           HE1      MET  46  -3.151  11.108   7.318
  335    HE2  MET  46           HE2      MET  46  -2.058  11.943   8.420
  336    HE3  MET  46           HE3      MET  46  -2.254  10.195   8.530
  337    H    GLU  47           HN       GLU  47  -2.366   6.244   5.646
  338    HA   GLU  47           HA       GLU  47  -1.088   5.257   7.947
  339    HB2  GLU  47           HB2      GLU  47  -3.512   4.208   6.472
  340    HB3  GLU  47           HB1      GLU  47  -3.020   3.671   8.071
  341    HG2  GLU  47           HG2      GLU  47  -3.776   6.482   7.349
  342    HG3  GLU  47           HG1      GLU  47  -4.851   5.304   8.097
  343    H    THR  48           HN       THR  48  -1.773   3.822   4.847
  344    HA   THR  48           HA       THR  48  -0.701   1.267   5.222
  345    HB   THR  48           HB       THR  48  -0.771   2.924   2.675
  346    HG1  THR  48           HG1      THR  48  -2.862   2.755   3.682
  347   HG21  THR  48          HG21      THR  48   0.575   0.876   2.492
  348   HG22  THR  48          HG22      THR  48  -0.910   0.737   1.551
  349   HG23  THR  48          HG23      THR  48  -0.778  -0.070   3.112
  350    H    ALA  49           HN       ALA  49   0.698   4.166   3.727
  351    HA   ALA  49           HA       ALA  49   3.236   3.214   3.178
  352    HB1  ALA  49           HB1      ALA  49   2.300   5.275   2.251
  353    HB2  ALA  49           HB2      ALA  49   3.895   5.533   2.953
  354    HB3  ALA  49           HB3      ALA  49   2.452   6.052   3.827
  355    H    ALA  50           HN       ALA  50   2.218   5.101   6.047
  356    HA   ALA  50           HA       ALA  50   4.748   5.166   7.263
  357    HB1  ALA  50           HB1      ALA  50   2.914   6.676   7.876
  358    HB2  ALA  50           HB2      ALA  50   3.590   5.857   9.284
  359    HB3  ALA  50           HB3      ALA  50   2.053   5.320   8.605
  360    H    ARG  51           HN       ARG  51   2.126   2.839   7.518
  361    HA   ARG  51           HA       ARG  51   3.257   1.362   9.648
  362    HB2  ARG  51           HB2      ARG  51   0.864   1.228   8.999
  363    HB3  ARG  51           HB1      ARG  51   1.328   0.423   7.510
  364    HG2  ARG  51           HG2      ARG  51   2.173  -1.473   8.765
  365    HG3  ARG  51           HG1      ARG  51   1.819  -0.642  10.282
  366    HD2  ARG  51           HD2      ARG  51  -0.193  -1.507   8.205
  367    HD3  ARG  51           HD1      ARG  51   0.087  -2.276   9.767
  368    HE   ARG  51           HE       ARG  51  -0.845   0.500   9.508
  369   HH11  ARG  51          HH11      ARG  51  -1.230  -2.754  10.959
  370   HH12  ARG  51          HH12      ARG  51  -2.421  -2.261  12.048
  371   HH21  ARG  51          HH21      ARG  51  -2.550   1.142  10.960
  372   HH22  ARG  51          HH22      ARG  51  -3.287   0.011  11.981
  373    H    LEU  52           HN       LEU  52   3.532   1.196   6.161
  374    HA   LEU  52           HA       LEU  52   5.060  -1.193   6.091
  375    HB2  LEU  52           HB2      LEU  52   4.754   1.049   4.108
  376    HB3  LEU  52           HB1      LEU  52   5.691  -0.396   3.785
  377    HG   LEU  52           HG       LEU  52   2.752  -0.436   4.453
  378   HD11  LEU  52          HD11      LEU  52   3.133   0.740   2.342
  379   HD12  LEU  52          HD12      LEU  52   2.412  -0.849   2.064
  380   HD13  LEU  52          HD13      LEU  52   4.132  -0.599   1.775
  381   HD21  LEU  52          HD21      LEU  52   2.881  -2.708   3.577
  382   HD22  LEU  52          HD22      LEU  52   3.949  -2.482   4.962
  383   HD23  LEU  52          HD23      LEU  52   4.618  -2.514   3.331
  384    H    GLU  53           HN       GLU  53   5.909   2.225   6.144
  385    HA   GLU  53           HA       GLU  53   8.670   1.970   5.850
  386    HB2  GLU  53           HB2      GLU  53   7.118   4.026   7.395
  387    HB3  GLU  53           HB1      GLU  53   8.828   4.145   7.010
  388    HG2  GLU  53           HG2      GLU  53   8.271   4.094   4.630
  389    HG3  GLU  53           HG1      GLU  53   6.559   4.052   5.059
  390    H    SER  54           HN       SER  54   6.808   2.249   8.829
  391    HA   SER  54           HA       SER  54   8.991   1.921  10.530
  392    HB2  SER  54           HB2      SER  54   7.157   1.367  12.241
  393    HB3  SER  54           HB1      SER  54   7.079   2.942  11.447
  394    HG   SER  54           HG       SER  54   5.432   2.276  10.208
  395    H    ARG  55           HN       ARG  55   6.676  -0.475   9.318
  396    HA   ARG  55           HA       ARG  55   7.712  -2.641  10.813
  397    HB2  ARG  55           HB2      ARG  55   5.454  -2.646   9.889
  398    HB3  ARG  55           HB1      ARG  55   6.108  -2.693   8.261
  399    HG2  ARG  55           HG2      ARG  55   7.034  -4.902   8.668
  400    HG3  ARG  55           HG1      ARG  55   6.472  -4.844  10.339
  401    HD2  ARG  55           HD2      ARG  55   4.721  -4.766   7.880
  402    HD3  ARG  55           HD1      ARG  55   4.961  -6.161   8.935
  403    HE   ARG  55           HE       ARG  55   4.148  -4.117  10.571
  404   HH11  ARG  55          HH11      ARG  55   2.659  -5.899   7.807
  405   HH12  ARG  55          HH12      ARG  55   1.076  -5.612   8.391
  406   HH21  ARG  55          HH21      ARG  55   1.956  -3.845  11.297
  407   HH22  ARG  55          HH22      ARG  55   0.662  -4.432  10.363
  408    H    TYR  56           HN       TYR  56   8.320  -1.688   7.419
  409    HA   TYR  56           HA       TYR  56  10.111  -3.969   7.177
  410    HB2  TYR  56           HB2      TYR  56   9.001  -2.087   5.104
  411    HB3  TYR  56           HB1      TYR  56  10.193  -3.331   4.742
  412    HD1  TYR  56           HD1      TYR  56   6.718  -2.740   5.855
  413    HD2  TYR  56           HD2      TYR  56   9.566  -5.614   4.557
  414    HE1  TYR  56           HE1      TYR  56   4.921  -4.381   5.593
  415    HE2  TYR  56           HE2      TYR  56   7.779  -7.275   4.290
  416    HH   TYR  56           HH       TYR  56   5.639  -7.728   5.012
  417    H    GLY  57           HN       GLY  57  10.445  -0.762   7.997
  418    HA2  GLY  57           HA2      GLY  57  12.368   0.443   8.402
  419    HA3  GLY  57           HA1      GLY  57  13.300  -0.953   7.861
  420    H    VAL  58           HN       VAL  58  10.929   1.148   6.327
  421    HA   VAL  58           HA       VAL  58  12.889   1.719   4.244
  422    HB   VAL  58           HB       VAL  58  11.159   1.667   2.480
  423   HG11  VAL  58          HG11      VAL  58  11.351  -0.915   4.013
  424   HG12  VAL  58          HG12      VAL  58  12.487  -0.324   2.800
  425   HG13  VAL  58          HG13      VAL  58  10.842  -0.758   2.334
  426   HG21  VAL  58          HG21      VAL  58   8.957   0.656   2.901
  427   HG22  VAL  58          HG22      VAL  58   9.179   2.142   3.826
  428   HG23  VAL  58          HG23      VAL  58   9.331   0.575   4.624
  429    H    SER  59           HN       SER  59  11.992   3.622   2.792
  430    HA   SER  59           HA       SER  59  10.790   5.641   4.547
  431    HB2  SER  59           HB2      SER  59  13.163   6.097   2.719
  432    HB3  SER  59           HB1      SER  59  12.471   7.236   3.873
  433    HG   SER  59           HG       SER  59  13.710   6.420   5.321
  434    H    ILE  60           HN       ILE  60   8.975   6.227   3.530
  435    HA   ILE  60           HA       ILE  60   8.908   6.193   0.596
  436    HB   ILE  60           HB       ILE  60   6.553   6.216   2.522
  437   HG12  ILE  60          HG12      ILE  60   7.707   3.923   0.907
  438   HG13  ILE  60          HG11      ILE  60   7.843   4.111   2.650
  439   HG21  ILE  60          HG21      ILE  60   6.675   5.772  -0.469
  440   HG22  ILE  60          HG22      ILE  60   6.086   7.224   0.329
  441   HG23  ILE  60          HG23      ILE  60   5.219   5.697   0.527
  442   HD11  ILE  60          HD11      ILE  60   5.280   3.726   1.118
  443   HD12  ILE  60          HD12      ILE  60   5.430   3.878   2.868
  444   HD13  ILE  60          HD13      ILE  60   6.137   2.491   2.038
  445    HA   PRO  61           HA       PRO  61   9.070  10.670   1.308
  446    HB2  PRO  61           HB2      PRO  61   9.179  10.743  -1.637
  447    HB3  PRO  61           HB1      PRO  61  10.324  11.385  -0.456
  448    HG2  PRO  61           HG2      PRO  61  10.908   9.226  -1.932
  449    HG3  PRO  61           HG1      PRO  61  11.447   9.372  -0.250
  450    HD2  PRO  61           HD2      PRO  61   9.139   7.821  -1.371
  451    HD3  PRO  61           HD1      PRO  61  10.322   7.339  -0.134
  452    H    ASP  62           HN       ASP  62   7.723  12.414   0.813
  453    HA   ASP  62           HA       ASP  62   4.959  11.999   0.671
  454    HB2  ASP  62           HB2      ASP  62   5.818  13.982   1.687
  455    HB3  ASP  62           HB1      ASP  62   6.676  14.439   0.225
  456    H    ASP  63           HN       ASP  63   7.289  12.750  -1.767
  457    HA   ASP  63           HA       ASP  63   5.510  13.419  -3.882
  458    HB2  ASP  63           HB2      ASP  63   8.361  12.406  -3.968
  459    HB3  ASP  63           HB1      ASP  63   7.479  13.025  -5.355
  460    H    VAL  64           HN       VAL  64   7.037  10.488  -2.795
  461    HA   VAL  64           HA       VAL  64   6.151   8.986  -5.069
  462    HB   VAL  64           HB       VAL  64   7.376   7.994  -2.482
  463   HG11  VAL  64          HG11      VAL  64   6.952   6.609  -5.134
  464   HG12  VAL  64          HG12      VAL  64   6.088   6.266  -3.635
  465   HG13  VAL  64          HG13      VAL  64   7.817   5.941  -3.752
  466   HG21  VAL  64          HG21      VAL  64   8.878   9.465  -3.724
  467   HG22  VAL  64          HG22      VAL  64   8.617   8.517  -5.186
  468   HG23  VAL  64          HG23      VAL  64   9.440   7.795  -3.805
  469    H    ALA  65           HN       ALA  65   5.254   9.215  -1.651
  470    HA   ALA  65           HA       ALA  65   3.306   7.208  -1.632
  471    HB1  ALA  65           HB1      ALA  65   2.481   8.240   0.404
  472    HB2  ALA  65           HB2      ALA  65   3.377   9.713   0.042
  473    HB3  ALA  65           HB3      ALA  65   4.244   8.219   0.400
  474    H    GLY  66           HN       GLY  66   3.121  10.525  -2.734
  475    HA2  GLY  66           HA2      GLY  66   0.228  10.289  -3.003
  476    HA3  GLY  66           HA1      GLY  66   1.179  11.747  -3.240
  477    H    ARG  67           HN       ARG  67   2.875   9.517  -4.911
  478    HA   ARG  67           HA       ARG  67   1.495  10.331  -7.381
  479    HB2  ARG  67           HB2      ARG  67   3.528   9.962  -8.578
  480    HB3  ARG  67           HB1      ARG  67   3.938  10.868  -7.129
  481    HG2  ARG  67           HG2      ARG  67   4.675   8.762  -6.070
  482    HG3  ARG  67           HG1      ARG  67   4.321   7.916  -7.567
  483    HD2  ARG  67           HD2      ARG  67   6.330  10.129  -7.204
  484    HD3  ARG  67           HD1      ARG  67   6.690   8.417  -7.394
  485    HE   ARG  67           HE       ARG  67   5.536  10.168  -9.447
  486   HH11  ARG  67          HH11      ARG  67   7.291   7.177  -8.570
  487   HH12  ARG  67          HH12      ARG  67   7.792   6.862 -10.148
  488   HH21  ARG  67          HH21      ARG  67   6.286   9.699 -11.636
  489   HH22  ARG  67          HH22      ARG  67   7.243   8.324 -11.913
  490    H    VAL  68           HN       VAL  68   1.694   7.697  -5.393
  491    HA   VAL  68           HA       VAL  68   1.654   5.782  -7.550
  492    HB   VAL  68           HB       VAL  68   1.550   4.016  -5.766
  493   HG11  VAL  68          HG11      VAL  68   3.680   4.720  -6.668
  494   HG12  VAL  68          HG12      VAL  68   3.840   4.336  -4.955
  495   HG13  VAL  68          HG13      VAL  68   3.782   6.020  -5.480
  496   HG21  VAL  68          HG21      VAL  68   1.860   6.338  -3.853
  497   HG22  VAL  68          HG22      VAL  68   2.031   4.633  -3.452
  498   HG23  VAL  68          HG23      VAL  68   0.456   5.261  -3.957
  499    H    ASP  69           HN       ASP  69  -0.085   5.586  -8.653
  500    HA   ASP  69           HA       ASP  69  -2.711   6.097  -7.504
  501    HB2  ASP  69           HB2      ASP  69  -1.862   5.345 -10.317
  502    HB3  ASP  69           HB1      ASP  69  -3.526   5.623  -9.838
  503    H    THR  70           HN       THR  70  -0.990   3.416  -9.041
  504    HA   THR  70           HA       THR  70  -3.059   1.624  -8.063
  505    HB   THR  70           HB       THR  70  -1.647  -0.008  -9.528
  506    HG1  THR  70           HG1      THR  70  -0.994   2.185 -11.107
  507   HG21  THR  70          HG21      THR  70  -2.894   0.631 -11.534
  508   HG22  THR  70          HG22      THR  70  -3.267   2.203 -10.814
  509   HG23  THR  70          HG23      THR  70  -3.919   0.725 -10.102
  510    HA   PRO  71           HA       PRO  71  -0.519   0.172  -4.720
  511    HB2  PRO  71           HB2      PRO  71  -1.406  -2.546  -5.569
  512    HB3  PRO  71           HB1      PRO  71  -1.483  -1.783  -3.976
  513    HG2  PRO  71           HG2      PRO  71  -3.671  -2.016  -5.440
  514    HG3  PRO  71           HG1      PRO  71  -3.358  -0.528  -4.523
  515    HD2  PRO  71           HD2      PRO  71  -3.037  -1.051  -7.449
  516    HD3  PRO  71           HD1      PRO  71  -3.649   0.396  -6.623
  517    H    ARG  72           HN       ARG  72  -0.296  -1.379  -7.874
  518    HA   ARG  72           HA       ARG  72   2.040  -2.817  -7.558
  519    HB2  ARG  72           HB2      ARG  72   2.355  -2.604 -10.013
  520    HB3  ARG  72           HB1      ARG  72   0.716  -3.046  -9.555
  521    HG2  ARG  72           HG2      ARG  72  -0.025  -0.769  -9.941
  522    HG3  ARG  72           HG1      ARG  72   1.620  -0.293 -10.355
  523    HD2  ARG  72           HD2      ARG  72   0.186  -0.685 -12.329
  524    HD3  ARG  72           HD1      ARG  72   1.601  -1.730 -12.284
  525    HE   ARG  72           HE       ARG  72   0.099  -3.475 -11.387
  526   HH11  ARG  72          HH11      ARG  72  -1.379  -0.878 -13.380
  527   HH12  ARG  72          HH12      ARG  72  -2.675  -1.861 -13.857
  528   HH21  ARG  72          HH21      ARG  72  -1.578  -4.730 -12.082
  529   HH22  ARG  72          HH22      ARG  72  -2.834  -4.137 -13.106
  530    H    GLU  73           HN       GLU  73   1.694   0.627  -8.244
  531    HA   GLU  73           HA       GLU  73   4.435   1.169  -8.699
  532    HB2  GLU  73           HB2      GLU  73   2.307   3.024  -7.618
  533    HB3  GLU  73           HB1      GLU  73   3.809   3.499  -8.397
  534    HG2  GLU  73           HG2      GLU  73   1.522   2.047  -9.705
  535    HG3  GLU  73           HG1      GLU  73   1.882   3.761  -9.861
  536    H    LEU  74           HN       LEU  74   2.383   1.167  -5.885
  537    HA   LEU  74           HA       LEU  74   4.258   2.208  -4.027
  538    HB2  LEU  74           HB2      LEU  74   1.757   2.236  -3.774
  539    HB3  LEU  74           HB1      LEU  74   1.789   0.509  -3.540
  540    HG   LEU  74           HG       LEU  74   1.435   1.874  -1.472
  541   HD11  LEU  74          HD11      LEU  74   3.878   0.127  -1.442
  542   HD12  LEU  74          HD12      LEU  74   2.203  -0.401  -1.264
  543   HD13  LEU  74          HD13      LEU  74   2.942   0.623  -0.032
  544   HD21  LEU  74          HD21      LEU  74   3.368   2.981  -0.439
  545   HD22  LEU  74          HD22      LEU  74   2.918   3.732  -1.969
  546   HD23  LEU  74          HD23      LEU  74   4.315   2.659  -1.891
  547    H    LEU  75           HN       LEU  75   3.241  -1.042  -4.938
  548    HA   LEU  75           HA       LEU  75   4.744  -2.617  -3.217
  549    HB2  LEU  75           HB2      LEU  75   3.034  -3.510  -4.707
  550    HB3  LEU  75           HB1      LEU  75   3.987  -3.074  -6.105
  551    HG   LEU  75           HG       LEU  75   5.689  -4.746  -5.433
  552   HD11  LEU  75          HD11      LEU  75   3.675  -5.495  -3.324
  553   HD12  LEU  75          HD12      LEU  75   5.264  -4.779  -3.046
  554   HD13  LEU  75          HD13      LEU  75   5.133  -6.398  -3.732
  555   HD21  LEU  75          HD21      LEU  75   3.961  -5.321  -7.046
  556   HD22  LEU  75          HD22      LEU  75   2.887  -5.811  -5.736
  557   HD23  LEU  75          HD23      LEU  75   4.370  -6.713  -6.044
  558    H    ASP  76           HN       ASP  76   5.588  -1.423  -6.446
  559    HA   ASP  76           HA       ASP  76   8.189  -2.409  -6.568
  560    HB2  ASP  76           HB2      ASP  76   7.081  -1.515  -8.544
  561    HB3  ASP  76           HB1      ASP  76   7.107   0.106  -7.850
  562    H    LEU  77           HN       LEU  77   6.964   0.571  -5.159
  563    HA   LEU  77           HA       LEU  77   9.445   1.779  -4.659
  564    HB2  LEU  77           HB2      LEU  77   7.311   2.992  -4.618
  565    HB3  LEU  77           HB1      LEU  77   6.786   2.077  -3.231
  566    HG   LEU  77           HG       LEU  77   7.460   4.456  -2.803
  567   HD11  LEU  77          HD11      LEU  77   7.352   2.909  -0.949
  568   HD12  LEU  77          HD12      LEU  77   8.689   4.039  -0.740
  569   HD13  LEU  77          HD13      LEU  77   9.006   2.385  -1.269
  570   HD21  LEU  77          HD21      LEU  77   9.840   4.971  -2.634
  571   HD22  LEU  77          HD22      LEU  77   9.349   4.590  -4.286
  572   HD23  LEU  77          HD23      LEU  77  10.220   3.394  -3.327
  573    H    ILE  78           HN       ILE  78   7.451  -0.372  -2.687
  574    HA   ILE  78           HA       ILE  78   9.051  -0.244  -0.360
  575    HB   ILE  78           HB       ILE  78   7.260  -2.513  -1.283
  576   HG12  ILE  78          HG12      ILE  78   6.026  -0.406  -1.077
  577   HG13  ILE  78          HG11      ILE  78   5.569  -1.515   0.209
  578   HG21  ILE  78          HG21      ILE  78   8.821  -3.251   0.435
  579   HG22  ILE  78          HG22      ILE  78   7.185  -3.169   1.087
  580   HG23  ILE  78          HG23      ILE  78   8.351  -1.898   1.470
  581   HD11  ILE  78          HD11      ILE  78   6.998  -0.291   1.770
  582   HD12  ILE  78          HD12      ILE  78   5.793   0.761   1.029
  583   HD13  ILE  78          HD13      ILE  78   7.464   0.813   0.475
  584    H    ASN  79           HN       ASN  79   8.858  -2.721  -2.896
  585    HA   ASN  79           HA       ASN  79  11.035  -4.232  -1.944
  586    HB2  ASN  79           HB2      ASN  79   9.815  -4.094  -4.699
  587    HB3  ASN  79           HB1      ASN  79  11.092  -5.223  -4.261
  588   HD21  ASN  79          HD21      ASN  79   8.315  -5.648  -5.082
  589   HD22  ASN  79          HD22      ASN  79   7.606  -6.617  -3.823
  590    H    GLY  80           HN       GLY  80  10.905  -1.437  -3.998
  591    HA2  GLY  80           HA2      GLY  80  13.574  -1.550  -4.946
  592    HA3  GLY  80           HA1      GLY  80  12.554  -0.115  -4.881
  593    H    ALA  81           HN       ALA  81  12.052  -0.060  -2.135
  594    HA   ALA  81           HA       ALA  81  14.468   1.088  -1.172
  595    HB1  ALA  81           HB1      ALA  81  12.265   1.979  -0.548
  596    HB2  ALA  81           HB2      ALA  81  13.206   1.540   0.874
  597    HB3  ALA  81           HB3      ALA  81  11.906   0.487   0.318
  598    H    LEU  82           HN       LEU  82  12.825  -1.960  -0.709
  599    HA   LEU  82           HA       LEU  82  14.497  -2.958   1.364
  600    HB2  LEU  82           HB2      LEU  82  12.837  -4.416  -0.694
  601    HB3  LEU  82           HB1      LEU  82  13.639  -5.202   0.650
  602    HG   LEU  82           HG       LEU  82  11.459  -3.129   0.910
  603   HD11  LEU  82          HD11      LEU  82  10.621  -5.204  -0.036
  604   HD12  LEU  82          HD12      LEU  82  10.061  -4.999   1.623
  605   HD13  LEU  82          HD13      LEU  82  11.375  -6.122   1.265
  606   HD21  LEU  82          HD21      LEU  82  12.997  -3.131   2.804
  607   HD22  LEU  82          HD22      LEU  82  12.809  -4.874   2.974
  608   HD23  LEU  82          HD23      LEU  82  11.435  -3.806   3.267
  609    H    ALA  83           HN       ALA  83  14.702  -2.973  -2.128
  610    HA   ALA  83           HA       ALA  83  16.905  -4.684  -2.424
  611    HB1  ALA  83           HB1      ALA  83  17.195  -3.657  -4.617
  612    HB2  ALA  83           HB2      ALA  83  16.128  -2.333  -4.146
  613    HB3  ALA  83           HB3      ALA  83  15.488  -3.970  -4.294
  614    H    GLU  84           HN       GLU  84  16.669  -1.432  -1.357
  615    HA   GLU  84           HA       GLU  84  19.454  -0.776  -1.724
  616    HB2  GLU  84           HB2      GLU  84  17.572   0.907  -1.747
  617    HB3  GLU  84           HB1      GLU  84  17.355   0.610  -0.033
  618    HG2  GLU  84           HG2      GLU  84  18.597   2.618  -0.261
  619    HG3  GLU  84           HG1      GLU  84  19.708   1.379   0.314
  620    H    ALA  85           HN       ALA  85  17.528  -2.420   0.577
  621    HA   ALA  85           HA       ALA  85  19.147  -1.924   2.878
  622    HB1  ALA  85           HB1      ALA  85  17.108  -4.095   2.363
  623    HB2  ALA  85           HB2      ALA  85  16.781  -2.523   3.094
  624    HB3  ALA  85           HB3      ALA  85  17.810  -3.690   3.930
  625    H    ALA  86           HN       ALA  86  21.027  -2.787   3.262
  626    HA   ALA  86           HA       ALA  86  21.876  -5.135   1.753
  627    HB1  ALA  86           HB1      ALA  86  23.282  -3.135   1.564
  628    HB2  ALA  86           HB2      ALA  86  24.150  -4.459   2.341
  629    HB3  ALA  86           HB3      ALA  86  23.512  -3.132   3.313
  630    H28  SXH  87          H28B      SXH  87  -4.070  12.097   2.855
  631   H28A  SXH  87          H28A      SXH  87  -4.790  12.645   4.361
  632    H30  SXH  87          H30C      SXH  87  -1.953  12.189   4.031
  633   H30A  SXH  87          H30A      SXH  87  -2.739  12.849   5.465
  634   H30B  SXH  87          H30B      SXH  87  -1.366  13.692   4.746
  635    H31  SXH  87          H31A      SXH  87  -3.174  14.643   1.648
  636   H31A  SXH  87          H31C      SXH  87  -1.636  14.813   2.509
  637   H31B  SXH  87          H31B      SXH  87  -2.140  13.231   1.923
  638    H32  SXH  87          H32A      SXH  87  -4.282  15.048   5.187
  639   HO33  SXH  87          H33A      SXH  87  -3.661  16.807   3.286
  640   HN36  SXH  87          H36A      SXH  87  -2.405  15.069   6.521
  641    H37  SXH  87          H37A      SXH  87   0.032  16.470   5.998
  642   H37A  SXH  87          H37B      SXH  87  -1.123  17.460   6.846
  643    H38  SXH  87          H38A      SXH  87   0.213  16.511   8.479
  644   H38A  SXH  87          H38B      SXH  87  -1.380  15.731   8.616
  645   HN41  SXH  87          H41A      SXH  87   0.999  14.897   6.193
  646    H42  SXH  87          H42A      SXH  87   2.692  13.164   7.293
  647   H42A  SXH  87          H42B      SXH  87   1.225  12.185   7.170
  648    H43  SXH  87          H43A      SXH  87   2.574  13.625   4.882
  649   H43A  SXH  87          H43B      SXH  87   1.270  12.413   4.748
  650    H2   SXH  87           H2A      SXH  87   1.531  11.034   3.373
  651    H2A  SXH  87           H2B      SXH  87   2.558  10.021   2.365
  652    H3   SXH  87           H3A      SXH  87   3.099  12.039   1.002
  653    H3A  SXH  87           H3B      SXH  87   1.907  12.932   1.946
  654    H4   SXH  87           H4B      SXH  87   0.948  12.164  -0.162
  655    H4A  SXH  87           H4A      SXH  87   1.365  10.502   0.241
  656    H5   SXH  87           H5A      SXH  87  -0.584  12.270   1.738
  657    H5A  SXH  87           H5B      SXH  87  -0.141  10.614   2.195
  658    H6   SXH  87           H6C      SXH  87  -0.976   9.816   0.043
  659    H6A  SXH  87           H6A      SXH  87  -1.409  11.466  -0.407
  660    H6B  SXH  87           H6B      SXH  87  -2.237  10.670   0.932
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1   5.852 -16.661   3.115
    2    H2   MET   1           HT2      MET   1   6.960 -17.233   4.267
    3    H3   MET   1           HT3      MET   1   6.779 -18.045   2.794
    4    HA   MET   1           HA       MET   1   8.776 -16.753   2.876
    5    HB2  MET   1           HB2      MET   1   8.525 -15.610   0.742
    6    HB3  MET   1           HB1      MET   1   7.603 -17.099   0.696
    7    HG2  MET   1           HG2      MET   1   6.508 -14.307   1.034
    8    HG3  MET   1           HG1      MET   1   6.397 -15.312  -0.407
    9    HE1  MET   1           HE1      MET   1   2.678 -15.173   0.818
   10    HE2  MET   1           HE2      MET   1   3.775 -14.928  -0.541
   11    HE3  MET   1           HE3      MET   1   3.873 -13.878   0.874
   12    H    ALA   2           HN       ALA   2   9.775 -15.104   3.743
   13    HA   ALA   2           HA       ALA   2   8.240 -12.686   4.437
   14    HB1  ALA   2           HB1      ALA   2  10.456 -14.016   6.009
   15    HB2  ALA   2           HB2      ALA   2   8.748 -14.012   6.443
   16    HB3  ALA   2           HB3      ALA   2   9.663 -12.502   6.439
   17    H    THR   3           HN       THR   3   9.916 -13.538   2.166
   18    HA   THR   3           HA       THR   3  12.261 -11.834   2.315
   19    HB   THR   3           HB       THR   3  11.164 -13.535   0.110
   20    HG1  THR   3           HG1      THR   3  13.253 -14.127   1.973
   21   HG21  THR   3          HG21      THR   3  13.924 -12.368   0.547
   22   HG22  THR   3          HG22      THR   3  12.750 -11.833  -0.653
   23   HG23  THR   3          HG23      THR   3  13.471 -13.437  -0.785
   24    H    LEU   4           HN       LEU   4  11.643  -9.715   2.125
   25    HA   LEU   4           HA       LEU   4  11.033  -7.769   1.158
   26    HB2  LEU   4           HB2      LEU   4  10.367  -9.460  -1.247
   27    HB3  LEU   4           HB1      LEU   4  10.409  -7.709  -1.233
   28    HG   LEU   4           HG       LEU   4  12.767  -9.559  -0.864
   29   HD11  LEU   4          HD11      LEU   4  11.931  -9.509  -3.138
   30   HD12  LEU   4          HD12      LEU   4  13.479  -8.670  -3.023
   31   HD13  LEU   4          HD13      LEU   4  11.983  -7.746  -3.135
   32   HD21  LEU   4          HD21      LEU   4  12.659  -6.545  -0.997
   33   HD22  LEU   4          HD22      LEU   4  14.124  -7.525  -0.949
   34   HD23  LEU   4          HD23      LEU   4  13.031  -7.505   0.433
   35    H    LEU   5           HN       LEU   5   9.061  -6.805  -0.119
   36    HA   LEU   5           HA       LEU   5   6.704  -7.572   1.409
   37    HB2  LEU   5           HB2      LEU   5   7.277  -5.189   1.057
   38    HB3  LEU   5           HB1      LEU   5   7.205  -5.425  -0.673
   39    HG   LEU   5           HG       LEU   5   4.748  -5.895  -0.429
   40   HD11  LEU   5          HD11      LEU   5   4.752  -6.536   1.914
   41   HD12  LEU   5          HD12      LEU   5   3.634  -5.209   1.605
   42   HD13  LEU   5          HD13      LEU   5   5.196  -4.891   2.366
   43   HD21  LEU   5          HD21      LEU   5   4.128  -3.546  -0.116
   44   HD22  LEU   5          HD22      LEU   5   5.546  -3.719  -1.149
   45   HD23  LEU   5          HD23      LEU   5   5.732  -3.216   0.531
   46    H    THR   6           HN       THR   6   5.328  -9.130   0.548
   47    HA   THR   6           HA       THR   6   5.538  -9.472  -2.335
   48    HB   THR   6           HB       THR   6   4.610 -11.712  -2.080
   49    HG1  THR   6           HG1      THR   6   4.492 -11.187   0.731
   50   HG21  THR   6          HG21      THR   6   6.365 -12.778  -0.730
   51   HG22  THR   6          HG22      THR   6   6.777 -11.211  -0.035
   52   HG23  THR   6          HG23      THR   6   7.019 -11.503  -1.758
   53    H    THR   7           HN       THR   7   3.306 -10.507  -3.162
   54    HA   THR   7           HA       THR   7   1.408  -8.533  -3.359
   55    HB   THR   7           HB       THR   7   0.849 -11.507  -3.458
   56    HG1  THR   7           HG1      THR   7   2.429  -9.867  -5.192
   57   HG21  THR   7          HG21      THR   7  -0.140  -9.175  -5.124
   58   HG22  THR   7          HG22      THR   7  -1.058  -9.999  -3.865
   59   HG23  THR   7          HG23      THR   7  -0.608 -10.862  -5.336
   60    H    ASP   8           HN       ASP   8   1.388 -11.443  -1.335
   61    HA   ASP   8           HA       ASP   8  -0.989 -11.115   0.070
   62    HB2  ASP   8           HB2      ASP   8   1.569 -12.506   0.796
   63    HB3  ASP   8           HB1      ASP   8   0.210 -12.460   1.906
   64    H    ASP   9           HN       ASP   9   2.226 -10.012   0.964
   65    HA   ASP   9           HA       ASP   9   1.503  -9.022   3.528
   66    HB2  ASP   9           HB2      ASP   9   3.832  -8.205   1.804
   67    HB3  ASP   9           HB1      ASP   9   3.694  -7.913   3.533
   68    H    LEU  10           HN       LEU  10   1.740  -7.581   0.355
   69    HA   LEU  10           HA       LEU  10   1.393  -4.869   1.097
   70    HB2  LEU  10           HB2      LEU  10   2.066  -6.118  -1.170
   71    HB3  LEU  10           HB1      LEU  10   0.356  -5.996  -1.479
   72    HG   LEU  10           HG       LEU  10   2.286  -3.702  -1.121
   73   HD11  LEU  10          HD11      LEU  10   0.789  -4.695  -3.519
   74   HD12  LEU  10          HD12      LEU  10   2.524  -4.828  -3.223
   75   HD13  LEU  10          HD13      LEU  10   1.785  -3.243  -3.458
   76   HD21  LEU  10          HD21      LEU  10   0.092  -3.069  -0.230
   77   HD22  LEU  10          HD22      LEU  10  -0.669  -3.607  -1.731
   78   HD23  LEU  10          HD23      LEU  10   0.433  -2.232  -1.746
   79    H    ARG  11           HN       ARG  11  -0.781  -7.400  -0.064
   80    HA   ARG  11           HA       ARG  11  -3.233  -6.150   0.055
   81    HB2  ARG  11           HB2      ARG  11  -3.012  -8.328  -0.932
   82    HB3  ARG  11           HB1      ARG  11  -2.510  -9.030   0.592
   83    HG2  ARG  11           HG2      ARG  11  -4.691  -8.919   1.475
   84    HG3  ARG  11           HG1      ARG  11  -5.238  -7.835   0.193
   85    HD2  ARG  11           HD2      ARG  11  -6.025 -10.167  -0.095
   86    HD3  ARG  11           HD1      ARG  11  -5.063  -9.582  -1.442
   87    HE   ARG  11           HE       ARG  11  -3.760 -11.176   0.639
   88   HH11  ARG  11          HH11      ARG  11  -4.977 -10.944  -2.705
   89   HH12  ARG  11          HH12      ARG  11  -4.174 -12.333  -3.254
   90   HH21  ARG  11          HH21      ARG  11  -2.603 -13.158  -0.181
   91   HH22  ARG  11          HH22      ARG  11  -2.767 -13.568  -1.801
   92    H    ARG  12           HN       ARG  12  -1.571  -7.857   2.683
   93    HA   ARG  12           HA       ARG  12  -3.484  -7.556   4.682
   94    HB2  ARG  12           HB2      ARG  12  -0.485  -7.603   4.864
   95    HB3  ARG  12           HB1      ARG  12  -1.550  -7.660   6.258
   96    HG2  ARG  12           HG2      ARG  12  -1.464  -9.665   4.036
   97    HG3  ARG  12           HG1      ARG  12  -0.693  -9.849   5.606
   98    HD2  ARG  12           HD2      ARG  12  -3.016  -9.520   6.608
   99    HD3  ARG  12           HD1      ARG  12  -3.636  -9.709   4.965
  100    HE   ARG  12           HE       ARG  12  -1.858 -11.770   5.911
  101   HH11  ARG  12          HH11      ARG  12  -5.267 -10.883   5.313
  102   HH12  ARG  12          HH12      ARG  12  -5.852 -12.452   5.593
  103   HH21  ARG  12          HH21      ARG  12  -2.661 -13.824   6.349
  104   HH22  ARG  12          HH22      ARG  12  -4.329 -14.196   6.269
  105    H    ALA  13           HN       ALA  13  -0.799  -5.415   3.813
  106    HA   ALA  13           HA       ALA  13  -1.176  -3.579   5.909
  107    HB1  ALA  13           HB1      ALA  13   0.259  -2.087   4.620
  108    HB2  ALA  13           HB2      ALA  13   0.056  -3.112   3.199
  109    HB3  ALA  13           HB3      ALA  13   0.896  -3.732   4.620
  110    H    LEU  14           HN       LEU  14  -2.375  -3.698   2.628
  111    HA   LEU  14           HA       LEU  14  -3.681  -1.215   2.637
  112    HB2  LEU  14           HB2      LEU  14  -4.183  -3.706   1.040
  113    HB3  LEU  14           HB1      LEU  14  -5.046  -2.208   0.784
  114    HG   LEU  14           HG       LEU  14  -2.090  -2.652   0.400
  115   HD11  LEU  14          HD11      LEU  14  -4.340  -2.108  -1.527
  116   HD12  LEU  14          HD12      LEU  14  -3.499  -3.645  -1.318
  117   HD13  LEU  14          HD13      LEU  14  -2.632  -2.245  -1.945
  118   HD21  LEU  14          HD21      LEU  14  -3.767  -0.198  -0.050
  119   HD22  LEU  14          HD22      LEU  14  -2.046  -0.363  -0.431
  120   HD23  LEU  14          HD23      LEU  14  -2.600  -0.406   1.247
  121    H    VAL  15           HN       VAL  15  -4.959  -4.490   3.150
  122    HA   VAL  15           HA       VAL  15  -7.589  -3.552   3.472
  123    HB   VAL  15           HB       VAL  15  -7.006  -5.862   2.728
  124   HG11  VAL  15          HG11      VAL  15  -6.424  -6.424   5.619
  125   HG12  VAL  15          HG12      VAL  15  -5.284  -6.473   4.276
  126   HG13  VAL  15          HG13      VAL  15  -6.606  -7.637   4.353
  127   HG21  VAL  15          HG21      VAL  15  -9.260  -5.336   3.350
  128   HG22  VAL  15          HG22      VAL  15  -8.903  -5.690   5.044
  129   HG23  VAL  15          HG23      VAL  15  -8.865  -6.984   3.844
  130    H    GLU  16           HN       GLU  16  -5.108  -4.366   5.849
  131    HA   GLU  16           HA       GLU  16  -6.815  -4.155   8.086
  132    HB2  GLU  16           HB2      GLU  16  -3.822  -3.981   7.865
  133    HB3  GLU  16           HB1      GLU  16  -4.700  -4.024   9.385
  134    HG2  GLU  16           HG2      GLU  16  -5.530  -6.234   8.895
  135    HG3  GLU  16           HG1      GLU  16  -4.791  -6.188   7.292
  136    H    SER  17           HN       SER  17  -4.881  -1.783   6.349
  137    HA   SER  17           HA       SER  17  -5.230   0.166   8.430
  138    HB2  SER  17           HB2      SER  17  -4.194   0.565   5.623
  139    HB3  SER  17           HB1      SER  17  -4.014   1.676   6.983
  140    HG   SER  17           HG       SER  17  -2.722  -0.659   6.374
  141    H    ALA  18           HN       ALA  18  -6.771  -0.582   5.342
  142    HA   ALA  18           HA       ALA  18  -8.312   1.844   5.334
  143    HB1  ALA  18           HB1      ALA  18  -8.693  -0.659   3.701
  144    HB2  ALA  18           HB2      ALA  18  -7.708   0.727   3.240
  145    HB3  ALA  18           HB3      ALA  18  -9.454   0.904   3.408
  146    H    GLY  19           HN       GLY  19  -8.804  -1.466   6.357
  147    HA2  GLY  19           HA2      GLY  19 -11.289  -0.592   7.630
  148    HA3  GLY  19           HA1      GLY  19 -11.246  -2.081   6.692
  149    H    GLU  20           HN       GLU  20 -10.685  -3.865   7.671
  150    HA   GLU  20           HA       GLU  20  -9.159  -3.747  10.164
  151    HB2  GLU  20           HB2      GLU  20 -11.769  -5.247   9.796
  152    HB3  GLU  20           HB1      GLU  20 -10.720  -5.405  11.194
  153    HG2  GLU  20           HG2      GLU  20 -11.074  -3.049  11.724
  154    HG3  GLU  20           HG1      GLU  20 -12.134  -2.900  10.327
  155    H    THR  21           HN       THR  21  -9.142  -6.504  10.733
  156    HA   THR  21           HA       THR  21  -7.406  -7.473   8.711
  157    HB   THR  21           HB       THR  21  -8.467  -9.174  10.927
  158    HG1  THR  21           HG1      THR  21  -6.510  -7.280  11.656
  159   HG21  THR  21          HG21      THR  21  -5.674  -8.508   9.939
  160   HG22  THR  21          HG22      THR  21  -6.600  -9.935   9.475
  161   HG23  THR  21          HG23      THR  21  -6.075  -9.729  11.147
  162    H    ASP  22           HN       ASP  22 -10.150  -7.077   7.830
  163    HA   ASP  22           HA       ASP  22 -10.822  -9.673   6.733
  164    HB2  ASP  22           HB2      ASP  22 -12.854  -8.009   8.270
  165    HB3  ASP  22           HB1      ASP  22 -13.256  -9.353   7.218
  166    H    GLY  23           HN       GLY  23 -12.863  -9.133   5.241
  167    HA2  GLY  23           HA2      GLY  23 -13.682  -7.034   4.083
  168    HA3  GLY  23           HA1      GLY  23 -11.967  -6.808   3.720
  169    H    THR  24           HN       THR  24 -14.404  -7.490   2.056
  170    HA   THR  24           HA       THR  24 -13.223  -9.901   0.899
  171    HB   THR  24           HB       THR  24 -15.527 -10.305   1.729
  172    HG1  THR  24           HG1      THR  24 -15.553 -10.325  -1.126
  173   HG21  THR  24          HG21      THR  24 -17.461  -9.237   0.628
  174   HG22  THR  24          HG22      THR  24 -16.357  -8.209  -0.285
  175   HG23  THR  24          HG23      THR  24 -16.449  -8.062   1.470
  176    H    ASP  25           HN       ASP  25 -13.152  -6.792   0.571
  177    HA   ASP  25           HA       ASP  25 -13.342  -6.801  -2.356
  178    HB2  ASP  25           HB2      ASP  25 -14.645  -5.071  -1.184
  179    HB3  ASP  25           HB1      ASP  25 -13.166  -4.446  -0.468
  180    H    LEU  26           HN       LEU  26 -11.214  -5.271   0.078
  181    HA   LEU  26           HA       LEU  26  -8.988  -5.141  -1.697
  182    HB2  LEU  26           HB2      LEU  26  -9.228  -4.852   1.277
  183    HB3  LEU  26           HB1      LEU  26  -7.711  -4.662   0.421
  184    HG   LEU  26           HG       LEU  26 -10.158  -2.997  -0.122
  185   HD11  LEU  26          HD11      LEU  26  -9.338  -2.650   2.157
  186   HD12  LEU  26          HD12      LEU  26  -9.005  -1.255   1.130
  187   HD13  LEU  26          HD13      LEU  26  -7.713  -2.387   1.529
  188   HD21  LEU  26          HD21      LEU  26  -8.549  -1.574  -1.290
  189   HD22  LEU  26          HD22      LEU  26  -8.592  -3.196  -1.983
  190   HD23  LEU  26          HD23      LEU  26  -7.265  -2.727  -0.929
  191    H    SER  27           HN       SER  27 -10.179  -7.572   0.404
  192    HA   SER  27           HA       SER  27  -7.646  -8.949   0.366
  193    HB2  SER  27           HB2      SER  27  -9.313  -8.859   2.371
  194    HB3  SER  27           HB1      SER  27 -10.210 -10.076   1.466
  195    HG   SER  27           HG       SER  27  -8.135 -10.367   3.037
  196    H    GLY  28           HN       GLY  28  -7.345  -9.393  -1.688
  197    HA2  GLY  28           HA2      GLY  28  -8.114 -11.699  -2.854
  198    HA3  GLY  28           HA1      GLY  28  -9.264 -10.499  -3.456
  199    H    ASP  29           HN       ASP  29  -8.596  -9.928  -5.436
  200    HA   ASP  29           HA       ASP  29  -5.740  -9.500  -5.857
  201    HB2  ASP  29           HB2      ASP  29  -6.957 -10.805  -7.584
  202    HB3  ASP  29           HB1      ASP  29  -8.021  -9.424  -7.854
  203    H    PHE  30           HN       PHE  30  -4.927  -7.494  -6.292
  204    HA   PHE  30           HA       PHE  30  -6.748  -5.195  -6.147
  205    HB2  PHE  30           HB2      PHE  30  -5.656  -4.307  -4.135
  206    HB3  PHE  30           HB1      PHE  30  -6.402  -5.872  -3.807
  207    HD1  PHE  30           HD1      PHE  30  -4.945  -7.903  -3.738
  208    HD2  PHE  30           HD2      PHE  30  -3.338  -3.980  -3.794
  209    HE1  PHE  30           HE1      PHE  30  -2.839  -8.760  -2.809
  210    HE2  PHE  30           HE2      PHE  30  -1.226  -4.827  -2.876
  211    HZ   PHE  30           HZ       PHE  30  -0.869  -7.211  -2.649
  212    H    LEU  31           HN       LEU  31  -3.829  -6.604  -7.169
  213    HA   LEU  31           HA       LEU  31  -1.902  -4.707  -6.953
  214    HB2  LEU  31           HB2      LEU  31  -1.560  -7.005  -7.632
  215    HB3  LEU  31           HB1      LEU  31  -2.297  -6.676  -9.188
  216    HG   LEU  31           HG       LEU  31  -0.480  -5.140  -9.694
  217   HD11  LEU  31          HD11      LEU  31   0.696  -6.125  -7.080
  218   HD12  LEU  31          HD12      LEU  31   0.148  -4.483  -7.418
  219   HD13  LEU  31          HD13      LEU  31   1.548  -5.137  -8.267
  220   HD21  LEU  31          HD21      LEU  31   1.259  -6.854 -10.009
  221   HD22  LEU  31          HD22      LEU  31  -0.349  -7.441 -10.428
  222   HD23  LEU  31          HD23      LEU  31   0.392  -7.913  -8.897
  223    H    ASP  32           HN       ASP  32  -4.364  -4.817  -9.519
  224    HA   ASP  32           HA       ASP  32  -3.151  -2.432 -10.732
  225    HB2  ASP  32           HB2      ASP  32  -5.086  -4.475 -11.801
  226    HB3  ASP  32           HB1      ASP  32  -4.887  -2.910 -12.572
  227    H    LEU  33           HN       LEU  33  -5.157  -2.843  -8.315
  228    HA   LEU  33           HA       LEU  33  -7.401  -1.383  -9.372
  229    HB2  LEU  33           HB2      LEU  33  -6.877  -2.333  -6.562
  230    HB3  LEU  33           HB1      LEU  33  -8.349  -1.552  -7.096
  231    HG   LEU  33           HG       LEU  33  -7.326  -4.258  -7.957
  232   HD11  LEU  33          HD11      LEU  33  -9.331  -5.091  -6.877
  233   HD12  LEU  33          HD12      LEU  33  -9.788  -3.450  -6.434
  234   HD13  LEU  33          HD13      LEU  33  -8.348  -4.176  -5.730
  235   HD21  LEU  33          HD21      LEU  33  -9.791  -2.775  -8.867
  236   HD22  LEU  33          HD22      LEU  33  -9.393  -4.447  -9.259
  237   HD23  LEU  33          HD23      LEU  33  -8.373  -3.132  -9.850
  238    H    ARG  34           HN       ARG  34  -7.958   0.569  -9.016
  239    HA   ARG  34           HA       ARG  34  -5.927   2.509  -8.351
  240    HB2  ARG  34           HB2      ARG  34  -8.837   2.836  -9.076
  241    HB3  ARG  34           HB1      ARG  34  -7.653   4.128  -9.022
  242    HG2  ARG  34           HG2      ARG  34  -7.542   1.760 -10.893
  243    HG3  ARG  34           HG1      ARG  34  -8.205   3.335 -11.311
  244    HD2  ARG  34           HD2      ARG  34  -5.336   2.762 -10.516
  245    HD3  ARG  34           HD1      ARG  34  -5.929   3.051 -12.142
  246    HE   ARG  34           HE       ARG  34  -6.403   5.137 -10.162
  247   HH11  ARG  34          HH11      ARG  34  -4.534   4.082 -13.013
  248   HH12  ARG  34          HH12      ARG  34  -4.032   5.657 -13.391
  249   HH21  ARG  34          HH21      ARG  34  -5.593   7.257 -10.664
  250   HH22  ARG  34          HH22      ARG  34  -4.557   7.474 -11.998
  251    H    PHE  35           HN       PHE  35  -5.759   3.516  -6.430
  252    HA   PHE  35           HA       PHE  35  -7.119   2.683  -4.171
  253    HB2  PHE  35           HB2      PHE  35  -5.518   5.183  -4.622
  254    HB3  PHE  35           HB1      PHE  35  -6.239   4.809  -3.055
  255    HD1  PHE  35           HD1      PHE  35  -5.552   2.768  -1.847
  256    HD2  PHE  35           HD2      PHE  35  -3.618   4.043  -5.394
  257    HE1  PHE  35           HE1      PHE  35  -3.625   1.364  -1.297
  258    HE2  PHE  35           HE2      PHE  35  -1.691   2.630  -4.862
  259    HZ   PHE  35           HZ       PHE  35  -1.794   1.132  -2.844
  260    H    GLU  36           HN       GLU  36  -7.899   5.431  -6.163
  261    HA   GLU  36           HA       GLU  36 -10.028   6.509  -4.702
  262    HB2  GLU  36           HB2      GLU  36 -10.869   7.416  -6.823
  263    HB3  GLU  36           HB1      GLU  36  -9.125   7.598  -6.713
  264    HG2  GLU  36           HG2      GLU  36  -8.810   5.710  -8.213
  265    HG3  GLU  36           HG1      GLU  36 -10.550   5.442  -8.266
  266    H    ASP  37           HN       ASP  37  -9.881   3.684  -6.664
  267    HA   ASP  37           HA       ASP  37 -12.738   3.333  -6.878
  268    HB2  ASP  37           HB2      ASP  37 -11.346   2.821  -8.784
  269    HB3  ASP  37           HB1      ASP  37 -10.373   1.717  -7.829
  270    H    ILE  38           HN       ILE  38 -10.076   2.157  -4.988
  271    HA   ILE  38           HA       ILE  38 -11.823   0.163  -3.831
  272    HB   ILE  38           HB       ILE  38  -9.794  -0.722  -2.649
  273   HG12  ILE  38          HG12      ILE  38  -8.390   1.237  -4.490
  274   HG13  ILE  38          HG11      ILE  38  -8.378   1.263  -2.736
  275   HG21  ILE  38          HG21      ILE  38 -10.702  -1.754  -4.627
  276   HG22  ILE  38          HG22      ILE  38  -8.939  -1.826  -4.676
  277   HG23  ILE  38          HG23      ILE  38  -9.804  -0.635  -5.650
  278   HD11  ILE  38          HD11      ILE  38  -7.130  -0.841  -2.718
  279   HD12  ILE  38          HD12      ILE  38  -6.280   0.411  -3.621
  280   HD13  ILE  38          HD13      ILE  38  -7.144  -0.864  -4.480
  281    H    GLY  39           HN       GLY  39 -11.561   3.177  -3.249
  282    HA2  GLY  39           HA2      GLY  39 -12.816   4.165  -1.518
  283    HA3  GLY  39           HA1      GLY  39 -12.567   2.728  -0.557
  284    H    TYR  40           HN       TYR  40  -9.761   4.320  -1.935
  285    HA   TYR  40           HA       TYR  40  -9.093   5.230   0.792
  286    HB2  TYR  40           HB2      TYR  40  -7.287   4.773  -1.595
  287    HB3  TYR  40           HB1      TYR  40  -6.766   5.470  -0.078
  288    HD1  TYR  40           HD1      TYR  40  -8.561   2.432  -1.283
  289    HD2  TYR  40           HD2      TYR  40  -5.673   4.088   1.343
  290    HE1  TYR  40           HE1      TYR  40  -7.998   0.192  -0.496
  291    HE2  TYR  40           HE2      TYR  40  -5.107   1.842   2.144
  292    HH   TYR  40           HH       TYR  40  -6.172  -0.390   2.256
  293    H    ASP  41           HN       ASP  41  -9.098   7.332   1.217
  294    HA   ASP  41           HA       ASP  41  -9.371   9.209  -0.985
  295    HB2  ASP  41           HB2      ASP  41 -10.857   9.469   0.973
  296    HB3  ASP  41           HB1      ASP  41  -9.449   9.664   2.006
  297    H    SER  42           HN       SER  42  -7.323   8.595   1.732
  298    HA   SER  42           HA       SER  42  -4.833   8.928   0.545
  299    HB2  SER  42           HB2      SER  42  -4.088  11.166   1.318
  300    HB3  SER  42           HB1      SER  42  -5.473  11.313   0.219
  301    H    LEU  43           HN       LEU  43  -6.715   9.631   3.429
  302    HA   LEU  43           HA       LEU  43  -4.770   9.447   5.394
  303    HB2  LEU  43           HB2      LEU  43  -7.306  10.116   5.448
  304    HB3  LEU  43           HB1      LEU  43  -7.560   8.434   5.841
  305    HG   LEU  43           HG       LEU  43  -7.596   9.876   7.822
  306   HD11  LEU  43          HD11      LEU  43  -5.223   8.034   7.808
  307   HD12  LEU  43          HD12      LEU  43  -6.897   7.590   8.146
  308   HD13  LEU  43          HD13      LEU  43  -6.032   8.671   9.239
  309   HD21  LEU  43          HD21      LEU  43  -4.738  10.492   7.122
  310   HD22  LEU  43          HD22      LEU  43  -5.559  10.966   8.609
  311   HD23  LEU  43          HD23      LEU  43  -6.099  11.612   7.060
  312    H    ALA  44           HN       ALA  44  -6.860   6.860   4.126
  313    HA   ALA  44           HA       ALA  44  -5.841   4.811   5.789
  314    HB1  ALA  44           HB1      ALA  44  -7.090   4.559   3.055
  315    HB2  ALA  44           HB2      ALA  44  -7.974   4.651   4.577
  316    HB3  ALA  44           HB3      ALA  44  -6.923   3.268   4.247
  317    H    LEU  45           HN       LEU  45  -4.765   6.183   2.823
  318    HA   LEU  45           HA       LEU  45  -3.009   4.062   2.073
  319    HB2  LEU  45           HB2      LEU  45  -3.976   5.559   0.401
  320    HB3  LEU  45           HB1      LEU  45  -3.190   6.929   1.144
  321    HG   LEU  45           HG       LEU  45  -1.000   6.088   0.437
  322   HD11  LEU  45          HD11      LEU  45  -2.549   3.837  -0.842
  323   HD12  LEU  45          HD12      LEU  45  -1.461   3.691   0.538
  324   HD13  LEU  45          HD13      LEU  45  -0.826   4.152  -1.043
  325   HD21  LEU  45          HD21      LEU  45  -2.244   7.553  -1.073
  326   HD22  LEU  45          HD22      LEU  45  -3.033   6.156  -1.795
  327   HD23  LEU  45          HD23      LEU  45  -1.297   6.377  -1.983
  328    H    MET  46           HN       MET  46  -2.662   7.132   3.785
  329    HA   MET  46           HA       MET  46   0.160   6.953   3.940
  330    HB2  MET  46           HB2      MET  46   0.128   8.874   5.377
  331    HB3  MET  46           HB1      MET  46  -1.106   9.116   4.166
  332    HG2  MET  46           HG2      MET  46  -2.131   9.893   6.092
  333    HG3  MET  46           HG1      MET  46  -2.711   8.243   5.997
  334    HE1  MET  46           HE1      MET  46  -2.285   9.035   9.864
  335    HE2  MET  46           HE2      MET  46  -3.440   8.635   8.593
  336    HE3  MET  46           HE3      MET  46  -2.666  10.218   8.612
  337    H    GLU  47           HN       GLU  47  -2.434   5.911   6.068
  338    HA   GLU  47           HA       GLU  47  -0.788   5.099   8.188
  339    HB2  GLU  47           HB2      GLU  47  -3.497   4.130   7.326
  340    HB3  GLU  47           HB1      GLU  47  -2.748   3.640   8.858
  341    HG2  GLU  47           HG2      GLU  47  -2.635   6.153   9.331
  342    HG3  GLU  47           HG1      GLU  47  -3.725   6.335   7.962
  343    H    THR  48           HN       THR  48  -1.862   3.435   5.320
  344    HA   THR  48           HA       THR  48  -0.795   0.867   5.779
  345    HB   THR  48           HB       THR  48  -1.068   2.416   3.178
  346    HG1  THR  48           HG1      THR  48  -3.086   2.224   4.187
  347   HG21  THR  48          HG21      THR  48  -0.917  -0.572   3.629
  348   HG22  THR  48          HG22      THR  48   0.382   0.435   2.993
  349   HG23  THR  48          HG23      THR  48  -1.106   0.244   2.072
  350    H    ALA  49           HN       ALA  49   0.537   3.682   4.033
  351    HA   ALA  49           HA       ALA  49   3.005   2.686   3.313
  352    HB1  ALA  49           HB1      ALA  49   2.294   5.534   4.018
  353    HB2  ALA  49           HB2      ALA  49   2.049   4.765   2.449
  354    HB3  ALA  49           HB3      ALA  49   3.683   5.013   3.062
  355    H    ALA  50           HN       ALA  50   2.142   4.561   6.192
  356    HA   ALA  50           HA       ALA  50   4.635   4.722   7.378
  357    HB1  ALA  50           HB1      ALA  50   2.676   5.998   8.101
  358    HB2  ALA  50           HB2      ALA  50   3.457   5.175   9.451
  359    HB3  ALA  50           HB3      ALA  50   1.968   4.526   8.765
  360    H    ARG  51           HN       ARG  51   2.260   2.114   7.570
  361    HA   ARG  51           HA       ARG  51   3.586   0.722   9.668
  362    HB2  ARG  51           HB2      ARG  51   1.141   0.450   8.978
  363    HB3  ARG  51           HB1      ARG  51   1.730  -0.548   7.654
  364    HG2  ARG  51           HG2      ARG  51   2.706  -2.114   9.211
  365    HG3  ARG  51           HG1      ARG  51   2.254  -1.087  10.568
  366    HD2  ARG  51           HD2      ARG  51   0.487  -2.524  10.643
  367    HD3  ARG  51           HD1      ARG  51  -0.139  -1.373   9.490
  368    HE   ARG  51           HE       ARG  51   1.052  -3.178   7.897
  369   HH11  ARG  51          HH11      ARG  51  -1.271  -3.497  10.592
  370   HH12  ARG  51          HH12      ARG  51  -1.998  -4.916   9.987
  371   HH21  ARG  51          HH21      ARG  51   0.023  -5.207   7.082
  372   HH22  ARG  51          HH22      ARG  51  -1.287  -5.867   7.965
  373    H    LEU  52           HN       LEU  52   3.698   0.538   6.173
  374    HA   LEU  52           HA       LEU  52   5.372  -1.771   6.132
  375    HB2  LEU  52           HB2      LEU  52   4.838   0.278   3.983
  376    HB3  LEU  52           HB1      LEU  52   5.729  -1.214   3.739
  377    HG   LEU  52           HG       LEU  52   2.820  -1.005   4.518
  378   HD11  LEU  52          HD11      LEU  52   4.123  -1.867   1.947
  379   HD12  LEU  52          HD12      LEU  52   3.223  -0.373   2.210
  380   HD13  LEU  52          HD13      LEU  52   2.398  -1.928   2.302
  381   HD21  LEU  52          HD21      LEU  52   2.775  -3.434   4.213
  382   HD22  LEU  52          HD22      LEU  52   3.883  -2.971   5.505
  383   HD23  LEU  52          HD23      LEU  52   4.514  -3.434   3.924
  384    H    GLU  53           HN       GLU  53   5.920   1.674   6.116
  385    HA   GLU  53           HA       GLU  53   8.661   1.692   5.595
  386    HB2  GLU  53           HB2      GLU  53   6.945   3.527   7.236
  387    HB3  GLU  53           HB1      GLU  53   8.653   3.816   6.955
  388    HG2  GLU  53           HG2      GLU  53   8.283   3.960   4.603
  389    HG3  GLU  53           HG1      GLU  53   6.579   3.572   4.791
  390    H    SER  54           HN       SER  54   7.027   1.785   8.765
  391    HA   SER  54           HA       SER  54   9.377   1.554  10.243
  392    HB2  SER  54           HB2      SER  54   6.539   0.869  11.008
  393    HB3  SER  54           HB1      SER  54   7.883   1.069  12.140
  394    HG   SER  54           HG       SER  54   8.142   3.189  11.282
  395    H    ARG  55           HN       ARG  55   7.209  -0.923   8.988
  396    HA   ARG  55           HA       ARG  55   8.395  -3.034  10.429
  397    HB2  ARG  55           HB2      ARG  55   6.177  -3.263   9.516
  398    HB3  ARG  55           HB1      ARG  55   6.803  -3.110   7.881
  399    HG2  ARG  55           HG2      ARG  55   7.954  -5.210   8.064
  400    HG3  ARG  55           HG1      ARG  55   7.523  -5.338   9.771
  401    HD2  ARG  55           HD2      ARG  55   5.600  -5.286   7.462
  402    HD3  ARG  55           HD1      ARG  55   6.079  -6.719   8.377
  403    HE   ARG  55           HE       ARG  55   5.115  -4.782  10.160
  404   HH11  ARG  55          HH11      ARG  55   3.853  -6.895   7.626
  405   HH12  ARG  55          HH12      ARG  55   2.340  -7.095   8.326
  406   HH21  ARG  55          HH21      ARG  55   3.153  -4.968  11.124
  407   HH22  ARG  55          HH22      ARG  55   1.877  -5.922  10.517
  408    H    TYR  56           HN       TYR  56   8.931  -1.964   7.065
  409    HA   TYR  56           HA       TYR  56  10.943  -4.036   6.800
  410    HB2  TYR  56           HB2      TYR  56   9.787  -2.136   4.768
  411    HB3  TYR  56           HB1      TYR  56  11.054  -3.302   4.411
  412    HD1  TYR  56           HD2      TYR  56  10.564  -5.734   4.568
  413    HD2  TYR  56           HD1      TYR  56   7.507  -2.807   4.934
  414    HE1  TYR  56           HE2      TYR  56   8.869  -7.462   4.151
  415    HE2  TYR  56           HE1      TYR  56   5.804  -4.525   4.521
  416    HH   TYR  56           HH       TYR  56   5.684  -6.764   3.396
  417    H    GLY  57           HN       GLY  57  10.988  -0.835   7.761
  418    HA2  GLY  57           HA2      GLY  57  12.833   0.450   8.328
  419    HA3  GLY  57           HA1      GLY  57  13.874  -0.804   7.658
  420    H    VAL  58           HN       VAL  58  11.274   1.057   6.236
  421    HA   VAL  58           HA       VAL  58  13.141   2.199   4.293
  422    HB   VAL  58           HB       VAL  58  11.447   1.925   2.483
  423   HG11  VAL  58          HG11      VAL  58  12.266  -0.666   3.753
  424   HG12  VAL  58          HG12      VAL  58  13.238   0.300   2.630
  425   HG13  VAL  58          HG13      VAL  58  11.732  -0.457   2.084
  426   HG21  VAL  58          HG21      VAL  58   9.993   0.189   4.477
  427   HG22  VAL  58          HG22      VAL  58   9.580   0.360   2.770
  428   HG23  VAL  58          HG23      VAL  58   9.448   1.746   3.854
  429    H    SER  59           HN       SER  59  11.956   4.019   3.064
  430    HA   SER  59           HA       SER  59   9.757   5.081   4.601
  431    HB2  SER  59           HB2      SER  59  11.884   6.164   5.446
  432    HB3  SER  59           HB1      SER  59  12.113   6.825   3.824
  433    HG   SER  59           HG       SER  59   9.638   7.182   5.050
  434    H    ILE  60           HN       ILE  60   8.260   5.966   3.375
  435    HA   ILE  60           HA       ILE  60   8.671   5.804   0.482
  436    HB   ILE  60           HB       ILE  60   6.079   6.015   2.053
  437   HG12  ILE  60          HG12      ILE  60   7.337   3.619   0.696
  438   HG13  ILE  60          HG11      ILE  60   7.308   3.896   2.433
  439   HG21  ILE  60          HG21      ILE  60   4.998   5.406  -0.077
  440   HG22  ILE  60          HG22      ILE  60   6.568   5.439  -0.881
  441   HG23  ILE  60          HG23      ILE  60   5.886   6.923  -0.220
  442   HD11  ILE  60          HD11      ILE  60   4.914   3.490   0.664
  443   HD12  ILE  60          HD12      ILE  60   4.875   3.754   2.408
  444   HD13  ILE  60          HD13      ILE  60   5.619   2.295   1.752
  445    HA   PRO  61           HA       PRO  61   8.960  10.290   0.721
  446    HB2  PRO  61           HB2      PRO  61   9.070   9.947  -2.229
  447    HB3  PRO  61           HB1      PRO  61  10.179  10.812  -1.157
  448    HG2  PRO  61           HG2      PRO  61  10.892   8.487  -2.212
  449    HG3  PRO  61           HG1      PRO  61  11.293   8.867  -0.527
  450    HD2  PRO  61           HD2      PRO  61   9.089   7.148  -1.601
  451    HD3  PRO  61           HD1      PRO  61  10.183   6.848  -0.233
  452    H    ASP  62           HN       ASP  62   7.646  11.959   0.187
  453    HA   ASP  62           HA       ASP  62   4.905  11.433   0.348
  454    HB2  ASP  62           HB2      ASP  62   6.046  13.465   1.183
  455    HB3  ASP  62           HB1      ASP  62   6.197  14.026  -0.475
  456    H    ASP  63           HN       ASP  63   6.714  12.754  -2.435
  457    HA   ASP  63           HA       ASP  63   4.359  12.873  -4.065
  458    HB2  ASP  63           HB2      ASP  63   5.776  13.608  -5.858
  459    HB3  ASP  63           HB1      ASP  63   6.336  14.385  -4.384
  460    H    VAL  64           HN       VAL  64   6.595  10.450  -3.289
  461    HA   VAL  64           HA       VAL  64   6.137   8.835  -5.615
  462    HB   VAL  64           HB       VAL  64   7.239   8.028  -2.895
  463   HG11  VAL  64          HG11      VAL  64   8.076   6.027  -4.048
  464   HG12  VAL  64          HG12      VAL  64   7.279   6.547  -5.532
  465   HG13  VAL  64          HG13      VAL  64   6.315   6.113  -4.119
  466   HG21  VAL  64          HG21      VAL  64   8.637   8.655  -5.485
  467   HG22  VAL  64          HG22      VAL  64   9.411   8.087  -4.004
  468   HG23  VAL  64          HG23      VAL  64   8.622   9.664  -4.041
  469    H    ALA  65           HN       ALA  65   4.950   8.953  -2.301
  470    HA   ALA  65           HA       ALA  65   3.065   6.890  -2.560
  471    HB1  ALA  65           HB1      ALA  65   1.947   7.921  -0.647
  472    HB2  ALA  65           HB2      ALA  65   2.902   9.385  -0.879
  473    HB3  ALA  65           HB3      ALA  65   3.693   7.880  -0.411
  474    H    GLY  66           HN       GLY  66   3.018  10.236  -3.508
  475    HA2  GLY  66           HA2      GLY  66   0.263  10.424  -4.193
  476    HA3  GLY  66           HA1      GLY  66   1.537  11.498  -4.750
  477    H    ARG  67           HN       ARG  67   2.952   9.017  -5.874
  478    HA   ARG  67           HA       ARG  67   1.434   8.975  -8.385
  479    HB2  ARG  67           HB2      ARG  67   3.538   7.897  -9.358
  480    HB3  ARG  67           HB1      ARG  67   3.683   9.574  -8.850
  481    HG2  ARG  67           HG2      ARG  67   4.850   8.962  -6.895
  482    HG3  ARG  67           HG1      ARG  67   4.492   7.260  -7.132
  483    HD2  ARG  67           HD2      ARG  67   6.102   8.858  -9.092
  484    HD3  ARG  67           HD1      ARG  67   6.829   8.056  -7.701
  485    HE   ARG  67           HE       ARG  67   5.177   6.345  -9.310
  486   HH11  ARG  67          HH11      ARG  67   8.495   7.587  -8.825
  487   HH12  ARG  67          HH12      ARG  67   9.194   6.330  -9.722
  488   HH21  ARG  67          HH21      ARG  67   6.180   4.586 -10.346
  489   HH22  ARG  67          HH22      ARG  67   7.886   4.515 -10.508
  490    H    VAL  68           HN       VAL  68   1.449   7.193  -5.675
  491    HA   VAL  68           HA       VAL  68   1.370   4.651  -6.919
  492    HB   VAL  68           HB       VAL  68   0.855   5.630  -4.096
  493   HG11  VAL  68          HG11      VAL  68   0.931   3.290  -3.463
  494   HG12  VAL  68          HG12      VAL  68   1.065   2.860  -5.185
  495   HG13  VAL  68          HG13      VAL  68  -0.393   3.680  -4.574
  496   HG21  VAL  68          HG21      VAL  68   3.182   4.123  -5.260
  497   HG22  VAL  68          HG22      VAL  68   2.963   4.532  -3.559
  498   HG23  VAL  68          HG23      VAL  68   3.180   5.813  -4.755
  499    H    ASP  69           HN       ASP  69  -0.311   5.010  -8.380
  500    HA   ASP  69           HA       ASP  69  -2.986   5.788  -7.445
  501    HB2  ASP  69           HB2      ASP  69  -2.326   4.526 -10.107
  502    HB3  ASP  69           HB1      ASP  69  -3.702   5.525  -9.703
  503    H    THR  70           HN       THR  70  -1.009   3.126  -8.018
  504    HA   THR  70           HA       THR  70  -3.111   1.204  -7.426
  505    HB   THR  70           HB       THR  70  -1.884  -0.322  -9.064
  506    HG1  THR  70           HG1      THR  70  -0.764   2.193  -9.892
  507   HG21  THR  70          HG21      THR  70  -4.060   0.668  -9.646
  508   HG22  THR  70          HG22      THR  70  -3.014   0.579 -11.063
  509   HG23  THR  70          HG23      THR  70  -3.245   2.117 -10.233
  510    HA   PRO  71           HA       PRO  71  -0.319  -0.130  -4.249
  511    HB2  PRO  71           HB2      PRO  71  -0.919  -2.894  -5.198
  512    HB3  PRO  71           HB1      PRO  71  -1.040  -2.215  -3.570
  513    HG2  PRO  71           HG2      PRO  71  -3.231  -2.611  -4.978
  514    HG3  PRO  71           HG1      PRO  71  -3.045  -1.111  -4.047
  515    HD2  PRO  71           HD2      PRO  71  -2.724  -1.578  -6.981
  516    HD3  PRO  71           HD1      PRO  71  -3.493  -0.218  -6.138
  517    H    ARG  72           HN       ARG  72   0.039  -1.446  -7.425
  518    HA   ARG  72           HA       ARG  72   2.408  -2.814  -7.373
  519    HB2  ARG  72           HB2      ARG  72   1.055  -2.734  -9.343
  520    HB3  ARG  72           HB1      ARG  72   1.265  -0.998  -9.482
  521    HG2  ARG  72           HG2      ARG  72   3.599  -1.298 -10.050
  522    HG3  ARG  72           HG1      ARG  72   3.447  -3.040  -9.826
  523    HD2  ARG  72           HD2      ARG  72   1.865  -1.435 -11.821
  524    HD3  ARG  72           HD1      ARG  72   3.341  -2.316 -12.200
  525    HE   ARG  72           HE       ARG  72   2.214  -4.344 -11.531
  526   HH11  ARG  72          HH11      ARG  72   0.048  -1.573 -12.332
  527   HH12  ARG  72          HH12      ARG  72  -1.217  -2.612 -12.828
  528   HH21  ARG  72          HH21      ARG  72   0.402  -5.663 -12.221
  529   HH22  ARG  72          HH22      ARG  72  -1.042  -4.911 -12.727
  530    H    GLU  73           HN       GLU  73   2.000   0.702  -7.703
  531    HA   GLU  73           HA       GLU  73   4.738   1.331  -8.073
  532    HB2  GLU  73           HB2      GLU  73   2.450   3.012  -7.065
  533    HB3  GLU  73           HB1      GLU  73   4.040   3.644  -7.463
  534    HG2  GLU  73           HG2      GLU  73   2.193   2.244  -9.372
  535    HG3  GLU  73           HG1      GLU  73   2.406   3.989  -9.239
  536    H    LEU  74           HN       LEU  74   2.720   1.011  -5.276
  537    HA   LEU  74           HA       LEU  74   4.495   2.150  -3.371
  538    HB2  LEU  74           HB2      LEU  74   1.932   1.650  -3.262
  539    HB3  LEU  74           HB1      LEU  74   2.413   0.039  -2.795
  540    HG   LEU  74           HG       LEU  74   1.742   1.404  -0.881
  541   HD11  LEU  74          HD11      LEU  74   4.674   0.771  -0.841
  542   HD12  LEU  74          HD12      LEU  74   3.354  -0.338  -0.467
  543   HD13  LEU  74          HD13      LEU  74   3.658   1.055   0.573
  544   HD21  LEU  74          HD21      LEU  74   4.057   3.178  -1.636
  545   HD22  LEU  74          HD22      LEU  74   3.100   3.316  -0.160
  546   HD23  LEU  74          HD23      LEU  74   2.347   3.590  -1.731
  547    H    LEU  75           HN       LEU  75   3.734  -1.109  -4.446
  548    HA   LEU  75           HA       LEU  75   5.392  -2.700  -2.903
  549    HB2  LEU  75           HB2      LEU  75   3.671  -3.512  -4.420
  550    HB3  LEU  75           HB1      LEU  75   4.596  -2.958  -5.794
  551    HG   LEU  75           HG       LEU  75   6.361  -4.609  -5.186
  552   HD11  LEU  75          HD11      LEU  75   5.744  -6.438  -3.684
  553   HD12  LEU  75          HD12      LEU  75   4.266  -5.573  -3.255
  554   HD13  LEU  75          HD13      LEU  75   5.841  -4.890  -2.845
  555   HD21  LEU  75          HD21      LEU  75   5.116  -6.527  -6.047
  556   HD22  LEU  75          HD22      LEU  75   4.737  -5.049  -6.933
  557   HD23  LEU  75          HD23      LEU  75   3.600  -5.679  -5.742
  558    H    ASP  76           HN       ASP  76   6.023  -1.202  -6.045
  559    HA   ASP  76           HA       ASP  76   8.633  -2.106  -6.418
  560    HB2  ASP  76           HB2      ASP  76   7.384  -1.177  -8.269
  561    HB3  ASP  76           HB1      ASP  76   7.335   0.402  -7.496
  562    H    LEU  77           HN       LEU  77   7.526   0.895  -4.898
  563    HA   LEU  77           HA       LEU  77  10.095   2.000  -4.530
  564    HB2  LEU  77           HB2      LEU  77   7.939   3.264  -4.400
  565    HB3  LEU  77           HB1      LEU  77   7.588   2.476  -2.886
  566    HG   LEU  77           HG       LEU  77   8.339   4.859  -2.713
  567   HD11  LEU  77          HD11      LEU  77  10.090   2.884  -1.273
  568   HD12  LEU  77          HD12      LEU  77   8.502   3.455  -0.757
  569   HD13  LEU  77          HD13      LEU  77   9.861   4.575  -0.826
  570   HD21  LEU  77          HD21      LEU  77  10.727   5.372  -2.944
  571   HD22  LEU  77          HD22      LEU  77  10.001   4.884  -4.475
  572   HD23  LEU  77          HD23      LEU  77  11.005   3.747  -3.575
  573    H    ILE  78           HN       ILE  78   8.135  -0.071  -2.465
  574    HA   ILE  78           HA       ILE  78   9.794   0.000  -0.166
  575    HB   ILE  78           HB       ILE  78   7.919  -2.194  -1.112
  576   HG12  ILE  78          HG12      ILE  78   6.765  -0.062  -0.786
  577   HG13  ILE  78          HG11      ILE  78   6.291  -1.222   0.446
  578   HG21  ILE  78          HG21      ILE  78   9.092  -1.753   1.637
  579   HG22  ILE  78          HG22      ILE  78   9.480  -3.073   0.534
  580   HG23  ILE  78          HG23      ILE  78   7.863  -2.952   1.227
  581   HD11  ILE  78          HD11      ILE  78   8.251   1.034   0.791
  582   HD12  ILE  78          HD12      ILE  78   7.786  -0.122   2.037
  583   HD13  ILE  78          HD13      ILE  78   6.590   0.997   1.380
  584    H    ASN  79           HN       ASN  79   9.431  -2.576  -2.603
  585    HA   ASN  79           HA       ASN  79  11.653  -3.990  -1.583
  586    HB2  ASN  79           HB2      ASN  79  10.198  -4.366  -4.202
  587    HB3  ASN  79           HB1      ASN  79  11.482  -5.430  -3.629
  588   HD21  ASN  79          HD21      ASN  79   8.795  -6.196  -4.157
  589   HD22  ASN  79          HD22      ASN  79   8.108  -6.725  -2.663
  590    H    GLY  80           HN       GLY  80  11.450  -1.453  -3.899
  591    HA2  GLY  80           HA2      GLY  80  13.920  -1.850  -5.190
  592    HA3  GLY  80           HA1      GLY  80  13.085  -0.310  -5.006
  593    H    ALA  81           HN       ALA  81  13.030  -0.053  -2.273
  594    HA   ALA  81           HA       ALA  81  15.677   0.849  -1.743
  595    HB1  ALA  81           HB1      ALA  81  13.700   2.016  -0.877
  596    HB2  ALA  81           HB2      ALA  81  14.793   1.544   0.427
  597    HB3  ALA  81           HB3      ALA  81  13.319   0.622   0.134
  598    H    LEU  82           HN       LEU  82  13.738  -1.875  -0.674
  599    HA   LEU  82           HA       LEU  82  15.497  -2.878   1.283
  600    HB2  LEU  82           HB2      LEU  82  13.452  -4.291  -0.412
  601    HB3  LEU  82           HB1      LEU  82  14.331  -5.065   0.888
  602    HG   LEU  82           HG       LEU  82  12.470  -2.712   1.219
  603   HD11  LEU  82          HD11      LEU  82  12.106  -5.631   1.894
  604   HD12  LEU  82          HD12      LEU  82  11.284  -4.760   0.601
  605   HD13  LEU  82          HD13      LEU  82  10.979  -4.333   2.285
  606   HD21  LEU  82          HD21      LEU  82  14.284  -2.777   2.859
  607   HD22  LEU  82          HD22      LEU  82  13.874  -4.448   3.250
  608   HD23  LEU  82          HD23      LEU  82  12.732  -3.151   3.603
  609    H    ALA  83           HN       ALA  83  15.119  -3.819  -2.132
  610    HA   ALA  83           HA       ALA  83  17.168  -5.735  -2.129
  611    HB1  ALA  83           HB1      ALA  83  17.070  -5.616  -4.560
  612    HB2  ALA  83           HB2      ALA  83  16.156  -4.111  -4.464
  613    HB3  ALA  83           HB3      ALA  83  15.447  -5.614  -3.873
  614    H    GLU  84           HN       GLU  84  17.223  -2.301  -2.482
  615    HA   GLU  84           HA       GLU  84  19.866  -2.052  -3.484
  616    HB2  GLU  84           HB2      GLU  84  18.215  -0.265  -3.679
  617    HB3  GLU  84           HB1      GLU  84  18.142  -0.123  -1.932
  618    HG2  GLU  84           HG2      GLU  84  20.480   0.589  -1.907
  619    HG3  GLU  84           HG1      GLU  84  20.520   0.474  -3.668
  620    H    ALA  85           HN       ALA  85  18.471  -1.532  -0.248
  621    HA   ALA  85           HA       ALA  85  19.264  -1.539   1.822
  622    HB1  ALA  85           HB1      ALA  85  19.534  -3.947   1.350
  623    HB2  ALA  85           HB2      ALA  85  20.719  -3.353   2.513
  624    HB3  ALA  85           HB3      ALA  85  21.195  -3.644   0.841
  625    H    ALA  86           HN       ALA  86  19.979   0.521   1.894
  626    HA   ALA  86           HA       ALA  86  22.748   0.860   2.402
  627    HB1  ALA  86           HB1      ALA  86  21.523   2.345   0.066
  628    HB2  ALA  86           HB2      ALA  86  22.772   1.105  -0.050
  629    HB3  ALA  86           HB3      ALA  86  23.122   2.639   0.748
  630    H28  SXH  87          H28B      SXH  87  -3.565  11.860   3.668
  631   H28A  SXH  87          H28A      SXH  87  -4.295  13.113   4.669
  632    H30  SXH  87          H30C      SXH  87  -1.500  11.630   4.666
  633   H30A  SXH  87          H30A      SXH  87  -2.174  12.588   5.987
  634   H30B  SXH  87          H30B      SXH  87  -0.601  13.007   5.309
  635    H31  SXH  87          H31A      SXH  87  -1.940  14.149   2.039
  636   H31A  SXH  87          H31C      SXH  87  -0.461  13.987   2.987
  637   H31B  SXH  87          H31B      SXH  87  -1.306  12.548   2.418
  638    H32  SXH  87          H32A      SXH  87  -2.719  14.956   5.699
  639   HO33  SXH  87          H33A      SXH  87  -2.773  16.557   3.650
  640   HN36  SXH  87          H36A      SXH  87  -0.393  14.651   6.062
  641    H37  SXH  87          H37A      SXH  87   1.104  16.950   4.948
  642   H37A  SXH  87          H37B      SXH  87   1.257  16.421   6.630
  643    H38  SXH  87          H38A      SXH  87   2.071  14.799   4.200
  644   H38A  SXH  87          H38B      SXH  87   3.144  15.823   5.113
  645   HN41  SXH  87          H41A      SXH  87   3.260  13.021   4.634
  646    H42  SXH  87          H42A      SXH  87   4.563  11.712   6.219
  647   H42A  SXH  87          H42B      SXH  87   3.203  11.882   7.346
  648    H43  SXH  87          H43A      SXH  87   1.799  10.638   5.867
  649   H43A  SXH  87          H43B      SXH  87   3.296   9.677   6.024
  650    H2   SXH  87           H2A      SXH  87   1.440   8.077   1.982
  651    H2A  SXH  87           H2B      SXH  87   2.518   9.361   1.424
  652    H3   SXH  87           H3A      SXH  87   0.872  11.031   2.140
  653    H3A  SXH  87           H3B      SXH  87  -0.193   9.740   2.700
  654    H4   SXH  87           H4B      SXH  87   0.721  10.167  -0.141
  655    H4A  SXH  87           H4A      SXH  87  -0.320   8.857   0.416
  656    H5   SXH  87           H5A      SXH  87  -0.958  11.810   0.559
  657    H5A  SXH  87           H5B      SXH  87  -2.007  10.488   1.111
  658    H6   SXH  87           H6C      SXH  87  -1.020  10.926  -1.708
  659    H6A  SXH  87           H6A      SXH  87  -2.643  11.276  -1.116
  660    H6B  SXH  87           H6B      SXH  87  -2.064   9.611  -1.173
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  18.030 -14.788  -3.987
    2    H2   MET   1           HT2      MET   1  17.148 -13.377  -3.625
    3    H3   MET   1           HT3      MET   1  16.770 -14.830  -2.867
    4    HA   MET   1           HA       MET   1  18.770 -14.896  -1.680
    5    HB2  MET   1           HB2      MET   1  19.355 -12.202  -2.957
    6    HB3  MET   1           HB1      MET   1  20.299 -12.945  -1.679
    7    HG2  MET   1           HG2      MET   1  19.964 -13.993  -4.479
    8    HG3  MET   1           HG1      MET   1  21.377 -13.153  -3.847
    9    HE1  MET   1           HE1      MET   1  23.049 -14.187  -2.062
   10    HE2  MET   1           HE2      MET   1  22.779 -15.735  -1.263
   11    HE3  MET   1           HE3      MET   1  21.696 -14.381  -0.946
   12    H    ALA   2           HN       ALA   2  17.428 -11.637  -2.297
   13    HA   ALA   2           HA       ALA   2  16.985 -11.276   0.525
   14    HB1  ALA   2           HB1      ALA   2  17.798  -9.416  -0.852
   15    HB2  ALA   2           HB2      ALA   2  16.232  -9.039  -0.133
   16    HB3  ALA   2           HB3      ALA   2  16.332  -9.501  -1.830
   17    H    THR   3           HN       THR   3  15.030 -11.288   1.521
   18    HA   THR   3           HA       THR   3  12.874 -12.585   0.149
   19    HB   THR   3           HB       THR   3  13.036 -11.416   2.902
   20    HG1  THR   3           HG1      THR   3  13.748 -13.948   1.825
   21   HG21  THR   3          HG21      THR   3  10.751 -11.986   2.185
   22   HG22  THR   3          HG22      THR   3  11.296 -13.094   3.443
   23   HG23  THR   3          HG23      THR   3  11.289 -13.611   1.755
   24    H    LEU   4           HN       LEU   4  11.839 -11.272  -1.236
   25    HA   LEU   4           HA       LEU   4  11.430  -8.474  -0.689
   26    HB2  LEU   4           HB2      LEU   4  10.498 -10.194  -2.989
   27    HB3  LEU   4           HB1      LEU   4  10.311  -8.455  -2.893
   28    HG   LEU   4           HG       LEU   4  12.931  -9.951  -3.071
   29   HD11  LEU   4          HD11      LEU   4  11.681  -9.979  -5.149
   30   HD12  LEU   4          HD12      LEU   4  13.096  -8.936  -5.280
   31   HD13  LEU   4          HD13      LEU   4  11.494  -8.227  -5.073
   32   HD21  LEU   4          HD21      LEU   4  12.385  -6.982  -3.040
   33   HD22  LEU   4          HD22      LEU   4  13.956  -7.742  -3.304
   34   HD23  LEU   4          HD23      LEU   4  13.148  -7.904  -1.744
   35    H    LEU   5           HN       LEU   5   9.253  -7.546  -0.905
   36    HA   LEU   5           HA       LEU   5   7.464  -8.994   0.841
   37    HB2  LEU   5           HB2      LEU   5   8.150  -6.506   1.036
   38    HB3  LEU   5           HB1      LEU   5   7.160  -6.246  -0.375
   39    HG   LEU   5           HG       LEU   5   5.992  -7.353   2.178
   40   HD11  LEU   5          HD11      LEU   5   7.081  -5.216   2.663
   41   HD12  LEU   5          HD12      LEU   5   5.324  -5.075   2.710
   42   HD13  LEU   5          HD13      LEU   5   6.217  -4.473   1.316
   43   HD21  LEU   5          HD21      LEU   5   3.941  -6.430   1.270
   44   HD22  LEU   5          HD22      LEU   5   4.668  -7.574   0.141
   45   HD23  LEU   5          HD23      LEU   5   4.820  -5.839  -0.139
   46    H    THR   6           HN       THR   6   5.607  -9.968   0.115
   47    HA   THR   6           HA       THR   6   5.273  -9.987  -2.771
   48    HB   THR   6           HB       THR   6   3.895 -12.042  -2.357
   49    HG1  THR   6           HG1      THR   6   5.033 -11.940   0.251
   50   HG21  THR   6          HG21      THR   6   6.735 -12.080  -1.306
   51   HG22  THR   6          HG22      THR   6   6.267 -12.183  -3.004
   52   HG23  THR   6          HG23      THR   6   5.836 -13.482  -1.890
   53    H    THR   7           HN       THR   7   3.034 -10.460  -3.518
   54    HA   THR   7           HA       THR   7   1.339  -8.312  -3.213
   55    HB   THR   7           HB       THR   7   0.603 -11.131  -4.065
   56    HG1  THR   7           HG1      THR   7   2.444 -10.170  -5.240
   57   HG21  THR   7          HG21      THR   7  -1.350  -9.671  -3.725
   58   HG22  THR   7          HG22      THR   7  -1.111 -10.011  -5.441
   59   HG23  THR   7          HG23      THR   7  -0.627  -8.452  -4.777
   60    H    ASP   8           HN       ASP   8   1.076 -11.545  -1.748
   61    HA   ASP   8           HA       ASP   8  -1.274 -11.036  -0.267
   62    HB2  ASP   8           HB2      ASP   8   0.869 -13.116   0.096
   63    HB3  ASP   8           HB1      ASP   8  -0.525 -13.012   1.166
   64    H    ASP   9           HN       ASP   9   2.104 -10.671   0.573
   65    HA   ASP   9           HA       ASP   9   1.714 -10.153   3.348
   66    HB2  ASP   9           HB2      ASP   9   3.946 -10.654   2.173
   67    HB3  ASP   9           HB1      ASP   9   3.920  -8.979   1.657
   68    H    LEU  10           HN       LEU  10   1.988  -8.132   0.501
   69    HA   LEU  10           HA       LEU  10   1.748  -5.609   1.711
   70    HB2  LEU  10           HB2      LEU  10   2.476  -6.099  -0.651
   71    HB3  LEU  10           HB1      LEU  10   0.810  -6.467  -1.032
   72    HG   LEU  10           HG       LEU  10   0.231  -4.102  -0.436
   73   HD11  LEU  10          HD11      LEU  10   2.128  -3.610   0.997
   74   HD12  LEU  10          HD12      LEU  10   2.032  -2.463  -0.339
   75   HD13  LEU  10          HD13      LEU  10   3.223  -3.763  -0.379
   76   HD21  LEU  10          HD21      LEU  10   2.250  -4.491  -2.642
   77   HD22  LEU  10          HD22      LEU  10   1.100  -3.158  -2.517
   78   HD23  LEU  10          HD23      LEU  10   0.519  -4.807  -2.751
   79    H    ARG  11           HN       ARG  11  -0.579  -7.807   0.226
   80    HA   ARG  11           HA       ARG  11  -2.877  -6.365   0.536
   81    HB2  ARG  11           HB2      ARG  11  -2.953  -8.359  -0.776
   82    HB3  ARG  11           HB1      ARG  11  -2.525  -9.362   0.604
   83    HG2  ARG  11           HG2      ARG  11  -4.634  -9.118   1.579
   84    HG3  ARG  11           HG1      ARG  11  -5.039  -7.729   0.577
   85    HD2  ARG  11           HD2      ARG  11  -6.251  -9.746  -0.098
   86    HD3  ARG  11           HD1      ARG  11  -5.202  -9.138  -1.367
   87    HE   ARG  11           HE       ARG  11  -3.627 -10.977  -0.443
   88   HH11  ARG  11          HH11      ARG  11  -7.099 -11.290  -0.278
   89   HH12  ARG  11          HH12      ARG  11  -7.196 -12.856  -0.940
   90   HH21  ARG  11          HH21      ARG  11  -3.663 -13.214  -1.284
   91   HH22  ARG  11          HH22      ARG  11  -5.176 -13.946  -1.569
   92    H    ARG  12           HN       ARG  12  -1.353  -8.406   2.965
   93    HA   ARG  12           HA       ARG  12  -3.407  -8.348   4.867
   94    HB2  ARG  12           HB2      ARG  12  -0.462  -8.255   5.456
   95    HB3  ARG  12           HB1      ARG  12  -1.714  -8.769   6.572
   96    HG2  ARG  12           HG2      ARG  12  -2.228 -10.653   5.023
   97    HG3  ARG  12           HG1      ARG  12  -0.825 -10.173   4.065
   98    HD2  ARG  12           HD2      ARG  12  -0.839 -11.069   6.942
   99    HD3  ARG  12           HD1      ARG  12  -0.217 -11.968   5.562
  100    HE   ARG  12           HE       ARG  12   1.087  -9.435   5.859
  101   HH11  ARG  12          HH11      ARG  12   1.147 -12.782   6.999
  102   HH12  ARG  12          HH12      ARG  12   2.686 -12.636   7.720
  103   HH21  ARG  12          HH21      ARG  12   3.097  -9.247   6.785
  104   HH22  ARG  12          HH22      ARG  12   3.890 -10.542   7.560
  105    H    ALA  13           HN       ALA  13  -0.657  -6.138   4.527
  106    HA   ALA  13           HA       ALA  13  -1.382  -4.470   6.704
  107    HB1  ALA  13           HB1      ALA  13   0.377  -3.820   4.340
  108    HB2  ALA  13           HB2      ALA  13   0.909  -4.587   5.836
  109    HB3  ALA  13           HB3      ALA  13   0.309  -2.929   5.860
  110    H    LEU  14           HN       LEU  14  -2.003  -4.302   3.231
  111    HA   LEU  14           HA       LEU  14  -3.287  -1.841   3.226
  112    HB2  LEU  14           HB2      LEU  14  -3.191  -4.238   1.445
  113    HB3  LEU  14           HB1      LEU  14  -4.317  -2.952   1.101
  114    HG   LEU  14           HG       LEU  14  -2.128  -3.001  -0.150
  115   HD11  LEU  14          HD11      LEU  14  -1.891  -0.518  -0.094
  116   HD12  LEU  14          HD12      LEU  14  -2.885  -0.502   1.365
  117   HD13  LEU  14          HD13      LEU  14  -3.575  -1.041  -0.168
  118   HD21  LEU  14          HD21      LEU  14  -0.567  -3.385   1.651
  119   HD22  LEU  14          HD22      LEU  14  -1.043  -1.874   2.427
  120   HD23  LEU  14          HD23      LEU  14  -0.205  -1.844   0.875
  121    H    VAL  15           HN       VAL  15  -4.588  -5.169   3.405
  122    HA   VAL  15           HA       VAL  15  -7.271  -4.305   3.446
  123    HB   VAL  15           HB       VAL  15  -6.472  -6.588   2.630
  124   HG11  VAL  15          HG11      VAL  15  -6.434  -8.440   4.179
  125   HG12  VAL  15          HG12      VAL  15  -6.511  -7.307   5.533
  126   HG13  VAL  15          HG13      VAL  15  -5.116  -7.299   4.449
  127   HG21  VAL  15          HG21      VAL  15  -8.544  -7.740   3.266
  128   HG22  VAL  15          HG22      VAL  15  -8.827  -6.067   2.784
  129   HG23  VAL  15          HG23      VAL  15  -8.840  -6.505   4.492
  130    H    GLU  16           HN       GLU  16  -5.014  -5.049   6.040
  131    HA   GLU  16           HA       GLU  16  -6.971  -5.065   8.086
  132    HB2  GLU  16           HB2      GLU  16  -5.177  -4.796   9.644
  133    HB3  GLU  16           HB1      GLU  16  -4.605  -5.859   8.362
  134    HG2  GLU  16           HG2      GLU  16  -3.398  -4.079   7.355
  135    HG3  GLU  16           HG1      GLU  16  -4.218  -2.973   8.476
  136    H    SER  17           HN       SER  17  -5.501  -2.502   6.334
  137    HA   SER  17           HA       SER  17  -6.265  -0.494   8.239
  138    HB2  SER  17           HB2      SER  17  -5.216  -0.168   5.422
  139    HB3  SER  17           HB1      SER  17  -5.248   1.058   6.690
  140    HG   SER  17           HG       SER  17  -3.511  -1.099   6.336
  141    H    ALA  18           HN       ALA  18  -7.089  -0.982   4.775
  142    HA   ALA  18           HA       ALA  18  -9.450   0.680   5.168
  143    HB1  ALA  18           HB1      ALA  18  -9.601   0.847   2.778
  144    HB2  ALA  18           HB2      ALA  18  -8.340  -0.372   2.583
  145    HB3  ALA  18           HB3      ALA  18  -7.953   1.192   3.302
  146    H    GLY  19           HN       GLY  19  -8.707  -2.621   4.288
  147    HA2  GLY  19           HA2      GLY  19 -11.373  -3.117   3.297
  148    HA3  GLY  19           HA1      GLY  19 -10.036  -4.246   3.341
  149    H    GLU  20           HN       GLU  20 -12.359  -2.610   5.396
  150    HA   GLU  20           HA       GLU  20 -12.169  -4.471   7.538
  151    HB2  GLU  20           HB2      GLU  20 -14.310  -3.531   8.315
  152    HB3  GLU  20           HB1      GLU  20 -13.196  -2.253   7.852
  153    HG2  GLU  20           HG2      GLU  20 -14.381  -1.954   5.753
  154    HG3  GLU  20           HG1      GLU  20 -15.462  -3.284   6.159
  155    H    THR  21           HN       THR  21 -13.604  -6.261   8.012
  156    HA   THR  21           HA       THR  21 -14.339  -7.585   5.614
  157    HB   THR  21           HB       THR  21 -15.045  -9.442   7.352
  158    HG1  THR  21           HG1      THR  21 -14.822  -8.027   9.188
  159   HG21  THR  21          HG21      THR  21 -13.172  -9.589   5.778
  160   HG22  THR  21          HG22      THR  21 -12.705 -10.212   7.362
  161   HG23  THR  21          HG23      THR  21 -12.182  -8.605   6.857
  162    H    ASP  22           HN       ASP  22 -15.873  -5.671   5.440
  163    HA   ASP  22           HA       ASP  22 -18.569  -6.167   6.405
  164    HB2  ASP  22           HB2      ASP  22 -17.803  -3.847   5.907
  165    HB3  ASP  22           HB1      ASP  22 -17.543  -4.303   4.228
  166    H    GLY  23           HN       GLY  23 -16.536  -6.759   3.693
  167    HA2  GLY  23           HA2      GLY  23 -18.167  -8.870   2.721
  168    HA3  GLY  23           HA1      GLY  23 -18.067  -7.482   1.630
  169    H    THR  24           HN       THR  24 -16.925  -9.038   0.235
  170    HA   THR  24           HA       THR  24 -14.244  -9.731   1.118
  171    HB   THR  24           HB       THR  24 -14.114 -10.870  -1.173
  172    HG1  THR  24           HG1      THR  24 -16.584  -9.703  -1.374
  173   HG21  THR  24          HG21      THR  24 -16.223 -11.791   0.783
  174   HG22  THR  24          HG22      THR  24 -14.494 -12.124   0.884
  175   HG23  THR  24          HG23      THR  24 -15.447 -12.802  -0.435
  176    H    ASP  25           HN       ASP  25 -14.837  -6.989   0.736
  177    HA   ASP  25           HA       ASP  25 -13.793  -6.096  -1.759
  178    HB2  ASP  25           HB2      ASP  25 -15.279  -4.650  -0.422
  179    HB3  ASP  25           HB1      ASP  25 -14.055  -4.569   0.845
  180    H    LEU  26           HN       LEU  26 -11.806  -5.851  -2.369
  181    HA   LEU  26           HA       LEU  26  -9.575  -5.544  -2.407
  182    HB2  LEU  26           HB2      LEU  26  -9.985  -3.840  -0.649
  183    HB3  LEU  26           HB1      LEU  26  -9.843  -5.075   0.574
  184    HG   LEU  26           HG       LEU  26  -7.456  -5.345  -0.014
  185   HD11  LEU  26          HD11      LEU  26  -7.978  -2.994  -1.830
  186   HD12  LEU  26          HD12      LEU  26  -7.586  -4.632  -2.354
  187   HD13  LEU  26          HD13      LEU  26  -6.398  -3.686  -1.459
  188   HD21  LEU  26          HD21      LEU  26  -6.743  -3.287   1.003
  189   HD22  LEU  26          HD22      LEU  26  -8.273  -3.812   1.738
  190   HD23  LEU  26          HD23      LEU  26  -8.261  -2.515   0.554
  191    H    SER  27           HN       SER  27 -11.163  -7.983  -1.218
  192    HA   SER  27           HA       SER  27  -8.903  -9.521  -0.239
  193    HB2  SER  27           HB2      SER  27 -11.824 -10.261  -0.377
  194    HB3  SER  27           HB1      SER  27 -10.556 -11.108   0.518
  195    HG   SER  27           HG       SER  27 -11.099  -8.369   0.997
  196    H    GLY  28           HN       GLY  28  -7.817  -9.745  -2.150
  197    HA2  GLY  28           HA2      GLY  28  -7.960 -11.970  -3.609
  198    HA3  GLY  28           HA1      GLY  28  -9.061 -10.892  -4.478
  199    H    ASP  29           HN       ASP  29  -8.028 -10.065  -6.166
  200    HA   ASP  29           HA       ASP  29  -5.261  -9.222  -5.773
  201    HB2  ASP  29           HB2      ASP  29  -5.561 -10.535  -7.789
  202    HB3  ASP  29           HB1      ASP  29  -6.884  -9.495  -8.314
  203    H    PHE  30           HN       PHE  30  -4.633  -7.182  -6.291
  204    HA   PHE  30           HA       PHE  30  -6.668  -5.115  -6.534
  205    HB2  PHE  30           HB2      PHE  30  -6.020  -3.950  -4.479
  206    HB3  PHE  30           HB1      PHE  30  -6.638  -5.555  -4.126
  207    HD1  PHE  30           HD1      PHE  30  -4.713  -7.425  -3.924
  208    HD2  PHE  30           HD2      PHE  30  -4.134  -3.246  -3.397
  209    HE1  PHE  30           HE1      PHE  30  -2.690  -7.873  -2.610
  210    HE2  PHE  30           HE2      PHE  30  -2.105  -3.692  -2.086
  211    HZ   PHE  30           HZ       PHE  30  -1.380  -6.006  -1.695
  212    H    LEU  31           HN       LEU  31  -3.653  -6.273  -7.319
  213    HA   LEU  31           HA       LEU  31  -1.975  -4.069  -7.066
  214    HB2  LEU  31           HB2      LEU  31  -1.847  -6.336  -9.032
  215    HB3  LEU  31           HB1      LEU  31  -0.578  -5.151  -8.811
  216    HG   LEU  31           HG       LEU  31  -1.547  -7.123  -6.741
  217   HD11  LEU  31          HD11      LEU  31   0.665  -8.111  -6.992
  218   HD12  LEU  31          HD12      LEU  31   1.043  -6.950  -8.265
  219   HD13  LEU  31          HD13      LEU  31  -0.230  -8.146  -8.511
  220   HD21  LEU  31          HD21      LEU  31   0.671  -5.077  -6.577
  221   HD22  LEU  31          HD22      LEU  31   0.295  -6.294  -5.358
  222   HD23  LEU  31          HD23      LEU  31  -0.863  -5.012  -5.708
  223    H    ASP  32           HN       ASP  32  -4.275  -4.779  -9.565
  224    HA   ASP  32           HA       ASP  32  -3.275  -2.588 -11.224
  225    HB2  ASP  32           HB2      ASP  32  -3.884  -4.833 -12.196
  226    HB3  ASP  32           HB1      ASP  32  -5.559  -4.494 -11.797
  227    H    LEU  33           HN       LEU  33  -5.451  -2.984  -8.751
  228    HA   LEU  33           HA       LEU  33  -7.478  -1.143  -9.755
  229    HB2  LEU  33           HB2      LEU  33  -7.205  -2.488  -7.061
  230    HB3  LEU  33           HB1      LEU  33  -8.597  -1.578  -7.615
  231    HG   LEU  33           HG       LEU  33  -7.632  -4.204  -8.755
  232   HD11  LEU  33          HD11      LEU  33 -10.056  -3.545  -7.097
  233   HD12  LEU  33          HD12      LEU  33  -8.641  -4.452  -6.568
  234   HD13  LEU  33          HD13      LEU  33  -9.692  -5.111  -7.822
  235   HD21  LEU  33          HD21      LEU  33 -10.056  -2.551  -9.462
  236   HD22  LEU  33          HD22      LEU  33  -9.687  -4.159 -10.082
  237   HD23  LEU  33          HD23      LEU  33  -8.636  -2.800 -10.480
  238    H    ARG  34           HN       ARG  34  -7.718   1.027  -8.936
  239    HA   ARG  34           HA       ARG  34  -5.180   1.985  -7.944
  240    HB2  ARG  34           HB2      ARG  34  -7.601   3.549  -8.894
  241    HB3  ARG  34           HB1      ARG  34  -6.078   4.253  -8.391
  242    HG2  ARG  34           HG2      ARG  34  -6.019   4.280 -10.754
  243    HG3  ARG  34           HG1      ARG  34  -5.015   2.915 -10.249
  244    HD2  ARG  34           HD2      ARG  34  -6.842   1.377 -10.689
  245    HD3  ARG  34           HD1      ARG  34  -7.872   2.719 -11.179
  246    HE   ARG  34           HE       ARG  34  -5.755   2.943 -12.815
  247   HH11  ARG  34          HH11      ARG  34  -7.928   0.229 -12.006
  248   HH12  ARG  34          HH12      ARG  34  -7.765  -0.553 -13.491
  249   HH21  ARG  34          HH21      ARG  34  -5.552   1.837 -14.936
  250   HH22  ARG  34          HH22      ARG  34  -6.363   0.349 -15.140
  251    H    PHE  35           HN       PHE  35  -4.921   3.082  -6.069
  252    HA   PHE  35           HA       PHE  35  -6.301   2.276  -3.832
  253    HB2  PHE  35           HB2      PHE  35  -4.725   4.821  -4.225
  254    HB3  PHE  35           HB1      PHE  35  -5.357   4.319  -2.664
  255    HD1  PHE  35           HD1      PHE  35  -4.746   1.743  -2.119
  256    HD2  PHE  35           HD2      PHE  35  -2.518   4.358  -4.616
  257    HE1  PHE  35           HE1      PHE  35  -2.727   0.408  -1.708
  258    HE2  PHE  35           HE2      PHE  35  -0.494   3.027  -4.217
  259    HZ   PHE  35           HZ       PHE  35  -0.593   1.048  -2.759
  260    H    GLU  36           HN       GLU  36  -6.855   5.225  -5.688
  261    HA   GLU  36           HA       GLU  36  -8.861   6.356  -4.178
  262    HB2  GLU  36           HB2      GLU  36  -9.592   7.490  -6.239
  263    HB3  GLU  36           HB1      GLU  36  -7.852   7.541  -6.022
  264    HG2  GLU  36           HG2      GLU  36  -7.552   5.814  -7.686
  265    HG3  GLU  36           HG1      GLU  36  -9.297   5.616  -7.834
  266    H    ASP  37           HN       ASP  37  -9.160   3.683  -6.509
  267    HA   ASP  37           HA       ASP  37 -12.034   3.803  -6.210
  268    HB2  ASP  37           HB2      ASP  37 -12.208   2.068  -7.980
  269    HB3  ASP  37           HB1      ASP  37 -11.303   3.476  -8.522
  270    H    ILE  38           HN       ILE  38  -9.446   2.048  -4.897
  271    HA   ILE  38           HA       ILE  38 -11.346   0.089  -3.911
  272    HB   ILE  38           HB       ILE  38  -9.373  -1.099  -2.877
  273   HG12  ILE  38          HG12      ILE  38  -7.805   0.827  -4.614
  274   HG13  ILE  38          HG11      ILE  38  -7.786   0.786  -2.857
  275   HG21  ILE  38          HG21      ILE  38 -10.420  -1.862  -4.889
  276   HG22  ILE  38          HG22      ILE  38  -8.674  -2.087  -5.005
  277   HG23  ILE  38          HG23      ILE  38  -9.454  -0.749  -5.855
  278   HD11  ILE  38          HD11      ILE  38  -6.786  -1.389  -4.691
  279   HD12  ILE  38          HD12      ILE  38  -6.759  -1.433  -2.926
  280   HD13  ILE  38          HD13      ILE  38  -5.793  -0.239  -3.792
  281    H    GLY  39           HN       GLY  39 -11.281   2.814  -3.054
  282    HA2  GLY  39           HA2      GLY  39 -12.281   3.675  -1.130
  283    HA3  GLY  39           HA1      GLY  39 -11.931   2.167  -0.317
  284    H    TYR  40           HN       TYR  40  -9.210   3.682  -1.801
  285    HA   TYR  40           HA       TYR  40  -8.321   4.410   0.879
  286    HB2  TYR  40           HB2      TYR  40  -6.788   3.920  -1.652
  287    HB3  TYR  40           HB1      TYR  40  -6.067   4.661  -0.232
  288    HD1  TYR  40           HD1      TYR  40  -7.687   1.623  -1.507
  289    HD2  TYR  40           HD2      TYR  40  -5.357   3.374   1.565
  290    HE1  TYR  40           HE1      TYR  40  -7.207  -0.603  -0.625
  291    HE2  TYR  40           HE2      TYR  40  -4.864   1.158   2.469
  292    HH   TYR  40           HH       TYR  40  -5.854  -1.110   2.415
  293    H    ASP  41           HN       ASP  41  -8.794   6.354   1.390
  294    HA   ASP  41           HA       ASP  41  -8.502   8.515  -0.524
  295    HB2  ASP  41           HB2      ASP  41  -8.838   8.787   2.475
  296    HB3  ASP  41           HB1      ASP  41  -9.202   9.980   1.238
  297    H    SER  42           HN       SER  42  -7.055  10.315   0.237
  298    HA   SER  42           HA       SER  42  -4.393   9.667   0.369
  299    HB2  SER  42           HB2      SER  42  -4.131  11.983   1.145
  300    HB3  SER  42           HB1      SER  42  -5.291  11.853  -0.185
  301    H    LEU  43           HN       LEU  43  -6.632  10.295   2.913
  302    HA   LEU  43           HA       LEU  43  -5.040  10.372   5.184
  303    HB2  LEU  43           HB2      LEU  43  -7.414  11.106   4.919
  304    HB3  LEU  43           HB1      LEU  43  -7.901   9.436   4.908
  305    HG   LEU  43           HG       LEU  43  -8.357  10.668   7.020
  306   HD11  LEU  43          HD11      LEU  43  -6.536   8.303   7.296
  307   HD12  LEU  43          HD12      LEU  43  -8.280   8.265   7.047
  308   HD13  LEU  43          HD13      LEU  43  -7.617   8.927   8.541
  309   HD21  LEU  43          HD21      LEU  43  -5.360  10.641   7.300
  310   HD22  LEU  43          HD22      LEU  43  -6.503  11.085   8.567
  311   HD23  LEU  43          HD23      LEU  43  -6.386  12.061   7.103
  312    H    ALA  44           HN       ALA  44  -7.027   7.559   4.108
  313    HA   ALA  44           HA       ALA  44  -5.833   5.755   5.914
  314    HB1  ALA  44           HB1      ALA  44  -7.210   5.119   3.303
  315    HB2  ALA  44           HB2      ALA  44  -8.013   5.344   4.858
  316    HB3  ALA  44           HB3      ALA  44  -6.905   3.990   4.625
  317    H    LEU  45           HN       LEU  45  -4.957   6.761   2.717
  318    HA   LEU  45           HA       LEU  45  -3.172   4.682   2.124
  319    HB2  LEU  45           HB2      LEU  45  -4.109   6.181   0.437
  320    HB3  LEU  45           HB1      LEU  45  -3.221   7.524   1.123
  321    HG   LEU  45           HG       LEU  45  -1.106   6.515   0.424
  322   HD11  LEU  45          HD11      LEU  45  -1.745   4.155   0.629
  323   HD12  LEU  45          HD12      LEU  45  -1.083   4.505  -0.964
  324   HD13  LEU  45          HD13      LEU  45  -2.825   4.326  -0.754
  325   HD21  LEU  45          HD21      LEU  45  -1.413   6.761  -1.976
  326   HD22  LEU  45          HD22      LEU  45  -2.341   7.987  -1.099
  327   HD23  LEU  45          HD23      LEU  45  -3.155   6.576  -1.773
  328    H    MET  46           HN       MET  46  -2.675   7.830   3.708
  329    HA   MET  46           HA       MET  46   0.131   7.472   3.877
  330    HB2  MET  46           HB2      MET  46   0.229   9.424   5.318
  331    HB3  MET  46           HB1      MET  46  -0.902   9.733   4.025
  332    HG2  MET  46           HG2      MET  46  -1.926  10.665   5.912
  333    HG3  MET  46           HG1      MET  46  -2.723   9.117   5.719
  334    HE1  MET  46           HE1      MET  46  -0.028  11.141   7.754
  335    HE2  MET  46           HE2      MET  46   0.891   9.750   7.177
  336    HE3  MET  46           HE3      MET  46   0.538   9.922   8.897
  337    H    GLU  47           HN       GLU  47  -2.503   6.635   6.032
  338    HA   GLU  47           HA       GLU  47  -0.948   5.789   8.205
  339    HB2  GLU  47           HB2      GLU  47  -3.677   5.032   7.234
  340    HB3  GLU  47           HB1      GLU  47  -3.001   4.282   8.687
  341    HG2  GLU  47           HG2      GLU  47  -2.787   6.586   9.625
  342    HG3  GLU  47           HG1      GLU  47  -3.629   7.187   8.198
  343    H    THR  48           HN       THR  48  -2.183   4.060   5.418
  344    HA   THR  48           HA       THR  48  -1.203   1.495   5.966
  345    HB   THR  48           HB       THR  48  -1.559   2.845   3.273
  346    HG1  THR  48           HG1      THR  48  -3.498   2.910   4.437
  347   HG21  THR  48          HG21      THR  48  -1.875   0.578   2.434
  348   HG22  THR  48          HG22      THR  48  -1.602  -0.075   4.051
  349   HG23  THR  48          HG23      THR  48  -0.291   0.732   3.192
  350    H    ALA  49           HN       ALA  49   0.233   4.135   4.028
  351    HA   ALA  49           HA       ALA  49   2.597   2.910   3.275
  352    HB1  ALA  49           HB1      ALA  49   2.160   5.841   3.844
  353    HB2  ALA  49           HB2      ALA  49   1.773   5.016   2.334
  354    HB3  ALA  49           HB3      ALA  49   3.451   5.149   2.861
  355    H    ALA  50           HN       ALA  50   1.971   4.912   6.149
  356    HA   ALA  50           HA       ALA  50   4.567   5.032   7.150
  357    HB1  ALA  50           HB1      ALA  50   2.726   6.442   7.941
  358    HB2  ALA  50           HB2      ALA  50   3.576   5.663   9.274
  359    HB3  ALA  50           HB3      ALA  50   2.010   5.046   8.746
  360    H    ARG  51           HN       ARG  51   2.106   2.522   7.627
  361    HA   ARG  51           HA       ARG  51   3.361   1.126   9.664
  362    HB2  ARG  51           HB2      ARG  51   1.411   0.356   7.516
  363    HB3  ARG  51           HB1      ARG  51   1.898  -0.703   8.828
  364    HG2  ARG  51           HG2      ARG  51   0.997   0.847  10.456
  365    HG3  ARG  51           HG1      ARG  51   0.597   1.982   9.169
  366    HD2  ARG  51           HD2      ARG  51  -0.993   0.421   8.239
  367    HD3  ARG  51           HD1      ARG  51  -0.538  -0.798   9.433
  368    HE   ARG  51           HE       ARG  51  -1.326   1.606  10.678
  369   HH11  ARG  51          HH11      ARG  51  -2.749  -1.124   8.966
  370   HH12  ARG  51          HH12      ARG  51  -4.163  -1.178   9.908
  371   HH21  ARG  51          HH21      ARG  51  -3.339   1.560  11.951
  372   HH22  ARG  51          HH22      ARG  51  -4.499   0.353  11.587
  373    H    LEU  52           HN       LEU  52   3.516   0.885   6.155
  374    HA   LEU  52           HA       LEU  52   5.171  -1.423   6.100
  375    HB2  LEU  52           HB2      LEU  52   4.690   0.705   4.024
  376    HB3  LEU  52           HB1      LEU  52   5.555  -0.790   3.728
  377    HG   LEU  52           HG       LEU  52   2.658  -0.630   4.567
  378   HD11  LEU  52          HD11      LEU  52   3.876  -1.159   1.862
  379   HD12  LEU  52          HD12      LEU  52   2.992   0.294   2.335
  380   HD13  LEU  52          HD13      LEU  52   2.163  -1.262   2.263
  381   HD21  LEU  52          HD21      LEU  52   3.759  -2.699   5.243
  382   HD22  LEU  52          HD22      LEU  52   4.336  -2.940   3.596
  383   HD23  LEU  52          HD23      LEU  52   2.608  -2.996   3.941
  384    H    GLU  53           HN       GLU  53   5.749   2.029   6.049
  385    HA   GLU  53           HA       GLU  53   8.491   2.071   5.560
  386    HB2  GLU  53           HB2      GLU  53   6.838   3.896   7.284
  387    HB3  GLU  53           HB1      GLU  53   8.497   4.207   6.805
  388    HG2  GLU  53           HG2      GLU  53   7.826   4.258   4.491
  389    HG3  GLU  53           HG1      GLU  53   6.156   3.933   4.947
  390    H    SER  54           HN       SER  54   6.877   2.259   8.696
  391    HA   SER  54           HA       SER  54   9.220   2.085  10.184
  392    HB2  SER  54           HB2      SER  54   6.381   1.449  10.967
  393    HB3  SER  54           HB1      SER  54   7.724   1.671  12.094
  394    HG   SER  54           HG       SER  54   7.667   3.768  10.408
  395    H    ARG  55           HN       ARG  55   6.962  -0.494   9.190
  396    HA   ARG  55           HA       ARG  55   8.261  -2.430  10.794
  397    HB2  ARG  55           HB2      ARG  55   5.908  -2.669  10.081
  398    HB3  ARG  55           HB1      ARG  55   6.456  -2.942   8.430
  399    HG2  ARG  55           HG2      ARG  55   7.648  -4.933   9.139
  400    HG3  ARG  55           HG1      ARG  55   7.150  -4.651  10.806
  401    HD2  ARG  55           HD2      ARG  55   4.790  -4.873  10.078
  402    HD3  ARG  55           HD1      ARG  55   5.369  -5.275   8.459
  403    HE   ARG  55           HE       ARG  55   6.637  -6.950  10.287
  404   HH11  ARG  55          HH11      ARG  55   3.378  -6.458   8.946
  405   HH12  ARG  55          HH12      ARG  55   2.835  -8.031   9.235
  406   HH21  ARG  55          HH21      ARG  55   5.919  -9.139  10.707
  407   HH22  ARG  55          HH22      ARG  55   4.358  -9.634  10.250
  408    H    TYR  56           HN       TYR  56   8.658  -1.564   7.372
  409    HA   TYR  56           HA       TYR  56  10.538  -3.780   7.188
  410    HB2  TYR  56           HB2      TYR  56   9.175  -2.251   4.980
  411    HB3  TYR  56           HB1      TYR  56  10.342  -3.558   4.729
  412    HD1  TYR  56           HD2      TYR  56   9.802  -5.820   5.903
  413    HD2  TYR  56           HD1      TYR  56   6.937  -2.763   5.192
  414    HE1  TYR  56           HE2      TYR  56   8.003  -7.484   6.054
  415    HE2  TYR  56           HE1      TYR  56   5.131  -4.410   5.333
  416    HH   TYR  56           HH       TYR  56   5.376  -7.359   6.648
  417    H    GLY  57           HN       GLY  57  10.779  -0.654   7.892
  418    HA2  GLY  57           HA2      GLY  57  12.720   0.554   8.224
  419    HA3  GLY  57           HA1      GLY  57  13.610  -0.722   7.410
  420    H    VAL  58           HN       VAL  58  10.889   0.875   5.995
  421    HA   VAL  58           HA       VAL  58  12.748   2.080   4.093
  422    HB   VAL  58           HB       VAL  58  11.031   2.022   2.347
  423   HG11  VAL  58          HG11      VAL  58  11.399  -0.662   3.639
  424   HG12  VAL  58          HG12      VAL  58  12.493   0.110   2.486
  425   HG13  VAL  58          HG13      VAL  58  10.873  -0.386   1.981
  426   HG21  VAL  58          HG21      VAL  58   9.029   2.227   3.703
  427   HG22  VAL  58          HG22      VAL  58   9.293   0.607   4.366
  428   HG23  VAL  58          HG23      VAL  58   8.918   0.811   2.656
  429    H    SER  59           HN       SER  59  11.682   4.042   2.940
  430    HA   SER  59           HA       SER  59   9.957   5.496   4.741
  431    HB2  SER  59           HB2      SER  59  11.426   7.551   4.391
  432    HB3  SER  59           HB1      SER  59  12.103   6.307   5.441
  433    HG   SER  59           HG       SER  59  12.986   5.592   3.170
  434    H    ILE  60           HN       ILE  60   8.340   6.217   3.650
  435    HA   ILE  60           HA       ILE  60   8.514   6.248   0.737
  436    HB   ILE  60           HB       ILE  60   6.083   6.130   2.559
  437   HG12  ILE  60          HG12      ILE  60   7.307   4.022   0.750
  438   HG13  ILE  60          HG11      ILE  60   7.435   4.051   2.503
  439   HG21  ILE  60          HG21      ILE  60   4.774   5.786   0.517
  440   HG22  ILE  60          HG22      ILE  60   6.238   5.962  -0.452
  441   HG23  ILE  60          HG23      ILE  60   5.630   7.336   0.472
  442   HD11  ILE  60          HD11      ILE  60   5.014   3.754   2.672
  443   HD12  ILE  60          HD12      ILE  60   5.774   2.447   1.762
  444   HD13  ILE  60          HD13      ILE  60   4.900   3.725   0.912
  445    HA   PRO  61           HA       PRO  61   8.482  10.698   1.324
  446    HB2  PRO  61           HB2      PRO  61   8.808  10.753  -1.593
  447    HB3  PRO  61           HB1      PRO  61   9.894  11.356  -0.339
  448    HG2  PRO  61           HG2      PRO  61  10.499   9.189  -1.808
  449    HG3  PRO  61           HG1      PRO  61  10.971   9.329  -0.103
  450    HD2  PRO  61           HD2      PRO  61   8.672   7.843  -1.318
  451    HD3  PRO  61           HD1      PRO  61   9.806   7.317  -0.052
  452    H    ASP  62           HN       ASP  62   6.954  12.238   1.018
  453    HA   ASP  62           HA       ASP  62   4.309  11.676   0.546
  454    HB2  ASP  62           HB2      ASP  62   4.961  13.604   1.785
  455    HB3  ASP  62           HB1      ASP  62   5.840  14.263   0.416
  456    H    ASP  63           HN       ASP  63   6.673  12.921  -1.744
  457    HA   ASP  63           HA       ASP  63   4.776  13.475  -3.816
  458    HB2  ASP  63           HB2      ASP  63   7.778  13.212  -3.850
  459    HB3  ASP  63           HB1      ASP  63   6.846  13.519  -5.307
  460    H    VAL  64           HN       VAL  64   6.606  10.707  -2.890
  461    HA   VAL  64           HA       VAL  64   6.088   9.283  -5.336
  462    HB   VAL  64           HB       VAL  64   7.092   8.214  -2.675
  463   HG11  VAL  64          HG11      VAL  64   7.202   7.023  -5.447
  464   HG12  VAL  64          HG12      VAL  64   6.172   6.471  -4.127
  465   HG13  VAL  64          HG13      VAL  64   7.925   6.326  -3.996
  466   HG21  VAL  64          HG21      VAL  64   9.322   8.337  -3.697
  467   HG22  VAL  64          HG22      VAL  64   8.571   9.926  -3.552
  468   HG23  VAL  64          HG23      VAL  64   8.619   9.115  -5.116
  469    H    ALA  65           HN       ALA  65   4.944   9.203  -1.987
  470    HA   ALA  65           HA       ALA  65   2.985   7.217  -2.281
  471    HB1  ALA  65           HB1      ALA  65   2.962   9.602  -0.432
  472    HB2  ALA  65           HB2      ALA  65   3.743   8.056  -0.102
  473    HB3  ALA  65           HB3      ALA  65   1.989   8.143  -0.258
  474    H    GLY  66           HN       GLY  66   2.968  10.599  -3.114
  475    HA2  GLY  66           HA2      GLY  66   0.133  10.645  -3.611
  476    HA3  GLY  66           HA1      GLY  66   1.273  11.945  -3.910
  477    H    ARG  67           HN       ARG  67   2.739   9.465  -5.387
  478    HA   ARG  67           HA       ARG  67   1.386  10.093  -7.929
  479    HB2  ARG  67           HB2      ARG  67   3.420   9.730  -9.079
  480    HB3  ARG  67           HB1      ARG  67   3.903  10.578  -7.618
  481    HG2  ARG  67           HG2      ARG  67   4.550   8.440  -6.607
  482    HG3  ARG  67           HG1      ARG  67   4.071   7.606  -8.072
  483    HD2  ARG  67           HD2      ARG  67   5.766   9.168  -9.237
  484    HD3  ARG  67           HD1      ARG  67   6.395   9.429  -7.605
  485    HE   ARG  67           HE       ARG  67   5.970   6.743  -8.609
  486   HH11  ARG  67          HH11      ARG  67   8.332   9.160  -7.367
  487   HH12  ARG  67          HH12      ARG  67   9.606   8.033  -7.359
  488   HH21  ARG  67          HH21      ARG  67   7.765   5.294  -8.615
  489   HH22  ARG  67          HH22      ARG  67   9.304   5.798  -8.086
  490    H    VAL  68           HN       VAL  68   1.958   7.581  -5.688
  491    HA   VAL  68           HA       VAL  68   1.686   5.467  -7.617
  492    HB   VAL  68           HB       VAL  68   1.873   3.911  -5.668
  493   HG11  VAL  68          HG11      VAL  68   4.016   6.018  -5.805
  494   HG12  VAL  68          HG12      VAL  68   3.869   4.594  -6.838
  495   HG13  VAL  68          HG13      VAL  68   4.207   4.403  -5.116
  496   HG21  VAL  68          HG21      VAL  68   0.876   5.298  -3.908
  497   HG22  VAL  68          HG22      VAL  68   2.227   6.427  -4.022
  498   HG23  VAL  68          HG23      VAL  68   2.500   4.781  -3.455
  499    H    ASP  69           HN       ASP  69  -0.183   5.166  -8.447
  500    HA   ASP  69           HA       ASP  69  -2.589   5.500  -6.803
  501    HB2  ASP  69           HB2      ASP  69  -2.292   5.135  -9.773
  502    HB3  ASP  69           HB1      ASP  69  -3.839   5.132  -8.942
  503    H    THR  70           HN       THR  70  -0.777   3.163  -8.569
  504    HA   THR  70           HA       THR  70  -2.732   1.181  -7.730
  505    HB   THR  70           HB       THR  70  -1.471  -0.372  -9.285
  506    HG1  THR  70           HG1      THR  70  -0.194   2.083 -10.003
  507   HG21  THR  70          HG21      THR  70  -2.693   2.104 -10.523
  508   HG22  THR  70          HG22      THR  70  -3.573   0.679  -9.974
  509   HG23  THR  70          HG23      THR  70  -2.462   0.558 -11.339
  510    HA   PRO  71           HA       PRO  71  -0.134  -0.229  -4.427
  511    HB2  PRO  71           HB2      PRO  71  -1.112  -2.923  -5.260
  512    HB3  PRO  71           HB1      PRO  71  -1.144  -2.161  -3.661
  513    HG2  PRO  71           HG2      PRO  71  -3.370  -2.331  -5.059
  514    HG3  PRO  71           HG1      PRO  71  -2.984  -0.835  -4.189
  515    HD2  PRO  71           HD2      PRO  71  -2.719  -1.452  -7.103
  516    HD3  PRO  71           HD1      PRO  71  -3.325   0.022  -6.319
  517    H    ARG  72           HN       ARG  72  -0.119  -1.673  -7.558
  518    HA   ARG  72           HA       ARG  72   2.160  -3.229  -7.666
  519    HB2  ARG  72           HB2      ARG  72   0.548  -2.888  -9.500
  520    HB3  ARG  72           HB1      ARG  72   1.135  -1.249  -9.703
  521    HG2  ARG  72           HG2      ARG  72   3.348  -2.165 -10.321
  522    HG3  ARG  72           HG1      ARG  72   2.656  -3.788 -10.222
  523    HD2  ARG  72           HD2      ARG  72   1.717  -1.567 -12.026
  524    HD3  ARG  72           HD1      ARG  72   2.683  -2.950 -12.522
  525    HE   ARG  72           HE       ARG  72   0.738  -4.354 -11.793
  526   HH11  ARG  72          HH11      ARG  72   0.128  -0.987 -12.836
  527   HH12  ARG  72          HH12      ARG  72  -1.429  -1.318 -13.373
  528   HH21  ARG  72          HH21      ARG  72  -1.341  -4.772 -12.575
  529   HH22  ARG  72          HH22      ARG  72  -2.311  -3.517 -13.253
  530    H    GLU  73           HN       GLU  73   1.864   0.284  -8.154
  531    HA   GLU  73           HA       GLU  73   4.600   0.872  -8.572
  532    HB2  GLU  73           HB2      GLU  73   2.380   2.654  -7.576
  533    HB3  GLU  73           HB1      GLU  73   3.911   3.189  -8.250
  534    HG2  GLU  73           HG2      GLU  73   3.314   2.253 -10.399
  535    HG3  GLU  73           HG1      GLU  73   1.807   1.632  -9.722
  536    H    LEU  74           HN       LEU  74   2.525   0.882  -5.774
  537    HA   LEU  74           HA       LEU  74   4.343   2.085  -3.968
  538    HB2  LEU  74           HB2      LEU  74   1.821   1.907  -3.724
  539    HB3  LEU  74           HB1      LEU  74   2.035   0.226  -3.317
  540    HG   LEU  74           HG       LEU  74   1.570   1.711  -1.376
  541   HD11  LEU  74          HD11      LEU  74   4.248   0.354  -1.261
  542   HD12  LEU  74          HD12      LEU  74   2.676  -0.394  -0.975
  543   HD13  LEU  74          HD13      LEU  74   3.276   0.845   0.128
  544   HD21  LEU  74          HD21      LEU  74   2.745   3.699  -2.106
  545   HD22  LEU  74          HD22      LEU  74   4.288   2.857  -1.986
  546   HD23  LEU  74          HD23      LEU  74   3.345   3.181  -0.530
  547    H    LEU  75           HN       LEU  75   3.474  -1.300  -4.616
  548    HA   LEU  75           HA       LEU  75   5.189  -2.597  -2.840
  549    HB2  LEU  75           HB2      LEU  75   3.379  -3.683  -4.133
  550    HB3  LEU  75           HB1      LEU  75   4.315  -3.478  -5.599
  551    HG   LEU  75           HG       LEU  75   6.040  -4.994  -4.676
  552   HD11  LEU  75          HD11      LEU  75   4.060  -5.379  -2.442
  553   HD12  LEU  75          HD12      LEU  75   5.641  -4.612  -2.313
  554   HD13  LEU  75          HD13      LEU  75   5.525  -6.330  -2.700
  555   HD21  LEU  75          HD21      LEU  75   3.245  -6.130  -4.746
  556   HD22  LEU  75          HD22      LEU  75   4.739  -7.049  -4.925
  557   HD23  LEU  75          HD23      LEU  75   4.288  -5.855  -6.143
  558    H    ASP  76           HN       ASP  76   5.677  -1.428  -6.094
  559    HA   ASP  76           HA       ASP  76   8.247  -2.335  -6.654
  560    HB2  ASP  76           HB2      ASP  76   6.847  -1.293  -8.345
  561    HB3  ASP  76           HB1      ASP  76   6.890   0.235  -7.480
  562    H    LEU  77           HN       LEU  77   7.193   0.580  -5.000
  563    HA   LEU  77           HA       LEU  77   9.736   1.728  -4.616
  564    HB2  LEU  77           HB2      LEU  77   7.736   3.045  -4.356
  565    HB3  LEU  77           HB1      LEU  77   7.184   2.050  -3.017
  566    HG   LEU  77           HG       LEU  77   9.162   2.844  -1.799
  567   HD11  LEU  77          HD11      LEU  77  10.278   4.904  -2.590
  568   HD12  LEU  77          HD12      LEU  77   9.405   4.761  -4.116
  569   HD13  LEU  77          HD13      LEU  77  10.573   3.523  -3.645
  570   HD21  LEU  77          HD21      LEU  77   8.204   5.055  -1.292
  571   HD22  LEU  77          HD22      LEU  77   6.985   3.785  -1.393
  572   HD23  LEU  77          HD23      LEU  77   7.196   4.916  -2.731
  573    H    ILE  78           HN       ILE  78   7.813  -0.452  -2.649
  574    HA   ILE  78           HA       ILE  78   9.495  -0.478  -0.365
  575    HB   ILE  78           HB       ILE  78   7.638  -2.670  -1.346
  576   HG12  ILE  78          HG12      ILE  78   6.404  -0.571  -1.086
  577   HG13  ILE  78          HG11      ILE  78   5.955  -1.702   0.180
  578   HG21  ILE  78          HG21      ILE  78   8.756  -2.143   1.406
  579   HG22  ILE  78          HG22      ILE  78   9.187  -3.479   0.335
  580   HG23  ILE  78          HG23      ILE  78   7.562  -3.379   1.010
  581   HD11  ILE  78          HD11      ILE  78   7.390  -0.495   1.757
  582   HD12  ILE  78          HD12      ILE  78   6.170   0.560   1.043
  583   HD13  ILE  78          HD13      ILE  78   7.839   0.629   0.474
  584    H    ASN  79           HN       ASN  79   9.073  -2.873  -2.959
  585    HA   ASN  79           HA       ASN  79  11.268  -4.449  -2.166
  586    HB2  ASN  79           HB2      ASN  79   9.741  -4.360  -4.768
  587    HB3  ASN  79           HB1      ASN  79  11.067  -5.485  -4.482
  588   HD21  ASN  79          HD21      ASN  79   8.217  -5.972  -4.949
  589   HD22  ASN  79          HD22      ASN  79   7.677  -6.901  -3.587
  590    H    GLY  80           HN       GLY  80  11.056  -1.713  -4.323
  591    HA2  GLY  80           HA2      GLY  80  13.617  -1.930  -5.470
  592    HA3  GLY  80           HA1      GLY  80  12.691  -0.444  -5.288
  593    H    ALA  81           HN       ALA  81  12.477  -0.463  -2.468
  594    HA   ALA  81           HA       ALA  81  15.021   0.585  -1.728
  595    HB1  ALA  81           HB1      ALA  81  14.006   0.985   0.456
  596    HB2  ALA  81           HB2      ALA  81  12.620  -0.010   0.006
  597    HB3  ALA  81           HB3      ALA  81  12.926   1.510  -0.836
  598    H    LEU  82           HN       LEU  82  13.349  -2.435  -1.226
  599    HA   LEU  82           HA       LEU  82  15.189  -3.520   0.658
  600    HB2  LEU  82           HB2      LEU  82  13.390  -4.984  -1.289
  601    HB3  LEU  82           HB1      LEU  82  14.224  -5.718   0.061
  602    HG   LEU  82           HG       LEU  82  12.020  -3.663   0.250
  603   HD11  LEU  82          HD11      LEU  82  11.211  -5.833  -0.463
  604   HD12  LEU  82          HD12      LEU  82  10.710  -5.497   1.193
  605   HD13  LEU  82          HD13      LEU  82  12.044  -6.606   0.885
  606   HD21  LEU  82          HD21      LEU  82  13.483  -5.152   2.432
  607   HD22  LEU  82          HD22      LEU  82  12.087  -4.099   2.658
  608   HD23  LEU  82          HD23      LEU  82  13.615  -3.428   2.082
  609    H    ALA  83           HN       ALA  83  14.946  -3.633  -2.847
  610    HA   ALA  83           HA       ALA  83  17.211  -5.215  -3.367
  611    HB1  ALA  83           HB1      ALA  83  15.990  -3.048  -5.085
  612    HB2  ALA  83           HB2      ALA  83  15.487  -4.739  -5.045
  613    HB3  ALA  83           HB3      ALA  83  17.095  -4.310  -5.631
  614    H    GLU  84           HN       GLU  84  16.796  -1.820  -2.738
  615    HA   GLU  84           HA       GLU  84  19.459  -0.980  -3.306
  616    HB2  GLU  84           HB2      GLU  84  17.569   0.598  -3.209
  617    HB3  GLU  84           HB1      GLU  84  17.327   0.222  -1.512
  618    HG2  GLU  84           HG2      GLU  84  19.448   1.228  -0.954
  619    HG3  GLU  84           HG1      GLU  84  19.778   1.527  -2.661
  620    H    ALA  85           HN       ALA  85  17.719  -1.957  -0.422
  621    HA   ALA  85           HA       ALA  85  18.277  -3.129   1.364
  622    HB1  ALA  85           HB1      ALA  85  21.125  -3.224   0.406
  623    HB2  ALA  85           HB2      ALA  85  19.872  -4.393  -0.014
  624    HB3  ALA  85           HB3      ALA  85  20.394  -4.223   1.664
  625    H    ALA  86           HN       ALA  86  18.601  -2.706   3.347
  626    HA   ALA  86           HA       ALA  86  19.938  -0.203   4.036
  627    HB1  ALA  86           HB1      ALA  86  17.593  -0.371   4.754
  628    HB2  ALA  86           HB2      ALA  86  18.666  -0.353   6.153
  629    HB3  ALA  86           HB3      ALA  86  17.955  -1.872   5.605
  630    H28  SXH  87          H28B      SXH  87  -3.917  12.633   3.138
  631   H28A  SXH  87          H28A      SXH  87  -4.580  13.954   4.099
  632    H30  SXH  87          H30C      SXH  87  -1.872  12.557   4.222
  633   H30A  SXH  87          H30A      SXH  87  -2.492  13.750   5.360
  634   H30B  SXH  87          H30B      SXH  87  -0.931  14.006   4.579
  635    H31  SXH  87          H31A      SXH  87  -2.362  14.565   1.201
  636   H31A  SXH  87          H31C      SXH  87  -0.852  14.554   2.114
  637   H31B  SXH  87          H31B      SXH  87  -1.728  13.048   1.838
  638    H32  SXH  87          H32A      SXH  87  -3.040  16.001   4.665
  639   HO33  SXH  87          H33A      SXH  87  -3.037  17.036   2.120
  640   HN36  SXH  87          H36A      SXH  87  -0.939  15.997   5.371
  641    H37  SXH  87          H37A      SXH  87   1.430  16.520   4.051
  642   H37A  SXH  87          H37B      SXH  87   0.727  18.100   4.417
  643    H38  SXH  87          H38A      SXH  87   2.331  17.339   6.128
  644   H38A  SXH  87          H38B      SXH  87   0.717  17.597   6.777
  645   HN41  SXH  87          H41A      SXH  87   1.352  14.828   4.903
  646    H42  SXH  87          H42A      SXH  87   1.968  13.027   7.070
  647   H42A  SXH  87          H42B      SXH  87   0.357  12.854   6.389
  648    H43  SXH  87          H43A      SXH  87   1.885  11.304   5.348
  649   H43A  SXH  87          H43B      SXH  87   2.937  12.661   4.871
  650    H2   SXH  87           H2A      SXH  87   2.001  10.532   0.734
  651    H2A  SXH  87           H2B      SXH  87   1.148  12.074   0.707
  652    H3   SXH  87           H3A      SXH  87  -0.742  11.151   1.804
  653    H3A  SXH  87           H3B      SXH  87   0.132   9.673   2.214
  654    H4   SXH  87           H4B      SXH  87   0.265   9.082  -0.159
  655    H4A  SXH  87           H4A      SXH  87  -1.402   9.272   0.368
  656    H5   SXH  87           H5A      SXH  87  -0.917  10.268  -1.879
  657    H5A  SXH  87           H5B      SXH  87   0.174  11.415  -1.078
  658    H6   SXH  87           H6C      SXH  87  -2.758  11.067  -0.522
  659    H6A  SXH  87           H6A      SXH  87  -2.035  12.382  -1.457
  660    H6B  SXH  87           H6B      SXH  87  -1.681  12.218   0.269
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  16.079 -17.117   0.996
    2    H2   MET   1           HT2      MET   1  17.435 -18.050   0.572
    3    H3   MET   1           HT3      MET   1  16.371 -17.500  -0.629
    4    HA   MET   1           HA       MET   1  18.089 -15.791   1.026
    5    HB2  MET   1           HB2      MET   1  19.355 -17.081  -0.626
    6    HB3  MET   1           HB1      MET   1  18.219 -16.631  -1.882
    7    HG2  MET   1           HG2      MET   1  18.918 -14.276  -1.620
    8    HG3  MET   1           HG1      MET   1  20.113 -14.793  -0.432
    9    HE1  MET   1           HE1      MET   1  22.314 -13.886  -3.558
   10    HE2  MET   1           HE2      MET   1  22.023 -13.588  -1.845
   11    HE3  MET   1           HE3      MET   1  20.833 -13.078  -3.042
   12    H    ALA   2           HN       ALA   2  17.274 -13.858   1.258
   13    HA   ALA   2           HA       ALA   2  16.121 -11.973   1.058
   14    HB1  ALA   2           HB1      ALA   2  16.023 -10.879  -1.100
   15    HB2  ALA   2           HB2      ALA   2  16.330 -12.411  -1.920
   16    HB3  ALA   2           HB3      ALA   2  17.579 -11.689  -0.906
   17    H    THR   3           HN       THR   3  14.270 -12.842   2.040
   18    HA   THR   3           HA       THR   3  12.062 -13.666   0.361
   19    HB   THR   3           HB       THR   3  12.059 -12.885   3.257
   20    HG1  THR   3           HG1      THR   3  13.044 -14.705   3.658
   21   HG21  THR   3          HG21      THR   3  10.249 -14.699   1.652
   22   HG22  THR   3          HG22      THR   3   9.842 -13.084   2.236
   23   HG23  THR   3          HG23      THR   3  10.107 -14.396   3.385
   24    H    LEU   4           HN       LEU   4  11.243 -12.092  -0.857
   25    HA   LEU   4           HA       LEU   4  11.278  -9.329   0.032
   26    HB2  LEU   4           HB2      LEU   4  10.634 -10.618  -2.594
   27    HB3  LEU   4           HB1      LEU   4  10.496  -8.896  -2.303
   28    HG   LEU   4           HG       LEU   4  13.070 -10.437  -1.995
   29   HD11  LEU   4          HD11      LEU   4  12.082  -8.758  -4.294
   30   HD12  LEU   4          HD12      LEU   4  12.291 -10.509  -4.307
   31   HD13  LEU   4          HD13      LEU   4  13.695  -9.453  -4.138
   32   HD21  LEU   4          HD21      LEU   4  12.438  -7.491  -2.139
   33   HD22  LEU   4          HD22      LEU   4  14.061  -8.184  -2.062
   34   HD23  LEU   4          HD23      LEU   4  12.952  -8.371  -0.701
   35    H    LEU   5           HN       LEU   5   9.418  -7.981  -0.539
   36    HA   LEU   5           HA       LEU   5   7.015  -8.956   0.720
   37    HB2  LEU   5           HB2      LEU   5   8.011  -6.644   0.984
   38    HB3  LEU   5           HB1      LEU   5   7.580  -6.333  -0.683
   39    HG   LEU   5           HG       LEU   5   5.171  -6.772   0.007
   40   HD11  LEU   5          HD11      LEU   5   5.614  -7.905   2.091
   41   HD12  LEU   5          HD12      LEU   5   4.650  -6.453   2.365
   42   HD13  LEU   5          HD13      LEU   5   6.375  -6.454   2.739
   43   HD21  LEU   5          HD21      LEU   5   6.617  -4.415   1.209
   44   HD22  LEU   5          HD22      LEU   5   4.887  -4.506   0.884
   45   HD23  LEU   5          HD23      LEU   5   6.039  -4.536  -0.450
   46    H    THR   6           HN       THR   6   5.418  -9.938  -0.487
   47    HA   THR   6           HA       THR   6   5.337  -9.197  -3.286
   48    HB   THR   6           HB       THR   6   4.287 -11.593  -3.571
   49    HG1  THR   6           HG1      THR   6   4.909 -11.716  -1.021
   50   HG21  THR   6          HG21      THR   6   7.252 -11.133  -3.207
   51   HG22  THR   6          HG22      THR   6   6.326 -10.816  -4.675
   52   HG23  THR   6          HG23      THR   6   6.525 -12.471  -4.098
   53    H    THR   7           HN       THR   7   2.985 -10.514  -4.060
   54    HA   THR   7           HA       THR   7   1.128  -8.572  -3.846
   55    HB   THR   7           HB       THR   7   0.545 -11.504  -4.160
   56    HG1  THR   7           HG1      THR   7   1.147 -10.536  -6.499
   57   HG21  THR   7          HG21      THR   7  -1.045 -10.654  -5.843
   58   HG22  THR   7          HG22      THR   7  -0.519  -9.004  -5.511
   59   HG23  THR   7          HG23      THR   7  -1.362  -9.926  -4.268
   60    H    ASP   8           HN       ASP   8   1.137 -11.670  -2.057
   61    HA   ASP   8           HA       ASP   8  -1.238 -11.039  -0.624
   62    HB2  ASP   8           HB2      ASP   8  -0.618 -13.353  -1.100
   63    HB3  ASP   8           HB1      ASP   8   0.808 -13.192  -0.079
   64    H    ASP   9           HN       ASP   9   2.142 -10.676   0.082
   65    HA   ASP   9           HA       ASP   9   1.930 -10.127   2.872
   66    HB2  ASP   9           HB2      ASP   9   3.969  -9.014   0.937
   67    HB3  ASP   9           HB1      ASP   9   4.118  -9.085   2.682
   68    H    LEU  10           HN       LEU  10   1.980  -8.152  -0.023
   69    HA   LEU  10           HA       LEU  10   1.760  -5.635   1.222
   70    HB2  LEU  10           HB2      LEU  10   2.486  -6.099  -1.143
   71    HB3  LEU  10           HB1      LEU  10   0.815  -6.437  -1.536
   72    HG   LEU  10           HG       LEU  10   0.266  -4.087  -0.856
   73   HD11  LEU  10          HD11      LEU  10   2.099  -2.477  -0.736
   74   HD12  LEU  10          HD12      LEU  10   3.264  -3.797  -0.823
   75   HD13  LEU  10          HD13      LEU  10   2.186  -3.664   0.566
   76   HD21  LEU  10          HD21      LEU  10   0.516  -4.714  -3.200
   77   HD22  LEU  10          HD22      LEU  10   2.254  -4.431  -3.102
   78   HD23  LEU  10          HD23      LEU  10   1.129  -3.087  -2.918
   79    H    ARG  11           HN       ARG  11  -0.568  -7.907  -0.117
   80    HA   ARG  11           HA       ARG  11  -2.984  -6.631   0.129
   81    HB2  ARG  11           HB2      ARG  11  -2.770  -8.818  -0.844
   82    HB3  ARG  11           HB1      ARG  11  -2.260  -9.497   0.689
   83    HG2  ARG  11           HG2      ARG  11  -4.488  -9.095   1.606
   84    HG3  ARG  11           HG1      ARG  11  -4.996  -8.410   0.056
   85    HD2  ARG  11           HD2      ARG  11  -3.954 -11.210   0.469
   86    HD3  ARG  11           HD1      ARG  11  -5.655 -10.776   0.299
   87    HE   ARG  11           HE       ARG  11  -4.933  -9.836  -1.928
   88   HH11  ARG  11          HH11      ARG  11  -3.241 -12.662  -0.515
   89   HH12  ARG  11          HH12      ARG  11  -2.921 -13.332  -2.043
   90   HH21  ARG  11          HH21      ARG  11  -4.401 -10.759  -3.943
   91   HH22  ARG  11          HH22      ARG  11  -3.515 -12.203  -4.048
   92    H    ARG  12           HN       ARG  12  -1.364  -8.559   2.571
   93    HA   ARG  12           HA       ARG  12  -3.172  -8.242   4.659
   94    HB2  ARG  12           HB2      ARG  12  -0.189  -8.677   4.739
   95    HB3  ARG  12           HB1      ARG  12  -1.250  -8.824   6.135
   96    HG2  ARG  12           HG2      ARG  12  -2.426 -10.641   5.131
   97    HG3  ARG  12           HG1      ARG  12  -1.554 -10.423   3.614
   98    HD2  ARG  12           HD2      ARG  12  -0.690 -12.309   4.912
   99    HD3  ARG  12           HD1      ARG  12   0.519 -11.048   4.685
  100    HE   ARG  12           HE       ARG  12  -0.159 -10.326   7.020
  101   HH11  ARG  12          HH11      ARG  12  -0.492 -13.723   6.027
  102   HH12  ARG  12          HH12      ARG  12  -0.144 -14.330   7.574
  103   HH21  ARG  12          HH21      ARG  12   0.420 -11.166   9.064
  104   HH22  ARG  12          HH22      ARG  12   0.453 -12.851   9.329
  105    H    ALA  13           HN       ALA  13  -0.344  -6.293   3.844
  106    HA   ALA  13           HA       ALA  13  -0.524  -4.546   6.055
  107    HB1  ALA  13           HB1      ALA  13   0.675  -4.004   3.334
  108    HB2  ALA  13           HB2      ALA  13   1.512  -4.756   4.693
  109    HB3  ALA  13           HB3      ALA  13   0.978  -3.079   4.805
  110    H    LEU  14           HN       LEU  14  -1.716  -4.206   2.688
  111    HA   LEU  14           HA       LEU  14  -2.864  -1.713   3.003
  112    HB2  LEU  14           HB2      LEU  14  -3.120  -3.982   1.108
  113    HB3  LEU  14           HB1      LEU  14  -4.267  -2.670   1.016
  114    HG   LEU  14           HG       LEU  14  -2.340  -2.635  -0.541
  115   HD11  LEU  14          HD11      LEU  14  -3.696  -0.639  -0.098
  116   HD12  LEU  14          HD12      LEU  14  -2.009  -0.169  -0.320
  117   HD13  LEU  14          HD13      LEU  14  -2.693  -0.255   1.302
  118   HD21  LEU  14          HD21      LEU  14  -0.522  -3.250   0.931
  119   HD22  LEU  14          HD22      LEU  14  -0.779  -1.799   1.900
  120   HD23  LEU  14          HD23      LEU  14  -0.209  -1.660   0.237
  121    H    VAL  15           HN       VAL  15  -4.319  -4.964   3.305
  122    HA   VAL  15           HA       VAL  15  -6.937  -3.962   3.579
  123    HB   VAL  15           HB       VAL  15  -6.436  -6.322   2.899
  124   HG11  VAL  15          HG11      VAL  15  -6.073  -8.047   4.580
  125   HG12  VAL  15          HG12      VAL  15  -5.871  -6.795   5.805
  126   HG13  VAL  15          HG13      VAL  15  -4.726  -6.914   4.470
  127   HG21  VAL  15          HG21      VAL  15  -8.324  -7.364   4.062
  128   HG22  VAL  15          HG22      VAL  15  -8.685  -5.723   3.528
  129   HG23  VAL  15          HG23      VAL  15  -8.323  -6.039   5.225
  130    H    GLU  16           HN       GLU  16  -4.454  -4.612   5.948
  131    HA   GLU  16           HA       GLU  16  -6.162  -4.181   8.189
  132    HB2  GLU  16           HB2      GLU  16  -3.174  -4.128   7.902
  133    HB3  GLU  16           HB1      GLU  16  -4.016  -3.921   9.430
  134    HG2  GLU  16           HG2      GLU  16  -4.967  -6.150   9.211
  135    HG3  GLU  16           HG1      GLU  16  -4.125  -6.353   7.671
  136    H    SER  17           HN       SER  17  -4.086  -2.164   6.198
  137    HA   SER  17           HA       SER  17  -4.305   0.052   7.979
  138    HB2  SER  17           HB2      SER  17  -2.309  -0.334   6.537
  139    HB3  SER  17           HB1      SER  17  -3.302   0.061   5.130
  140    HG   SER  17           HG       SER  17  -3.621   2.109   5.958
  141    H    ALA  18           HN       ALA  18  -6.291  -1.232   5.579
  142    HA   ALA  18           HA       ALA  18  -7.648   1.195   4.882
  143    HB1  ALA  18           HB1      ALA  18  -7.798  -0.794   3.445
  144    HB2  ALA  18           HB2      ALA  18  -9.399  -0.305   4.000
  145    HB3  ALA  18           HB3      ALA  18  -8.589  -1.682   4.749
  146    H    GLY  19           HN       GLY  19  -7.744  -1.187   7.357
  147    HA2  GLY  19           HA2      GLY  19  -8.685  -1.232   9.412
  148    HA3  GLY  19           HA1      GLY  19  -9.087   0.464   9.187
  149    H    GLU  20           HN       GLU  20 -10.985   0.116  10.246
  150    HA   GLU  20           HA       GLU  20 -13.194   0.020  10.361
  151    HB2  GLU  20           HB2      GLU  20 -13.055  -0.591   7.413
  152    HB3  GLU  20           HB1      GLU  20 -14.558  -0.358   8.289
  153    HG2  GLU  20           HG2      GLU  20 -12.365   1.675   7.930
  154    HG3  GLU  20           HG1      GLU  20 -13.934   1.659   7.120
  155    H    THR  21           HN       THR  21 -14.478  -1.368  11.272
  156    HA   THR  21           HA       THR  21 -13.777  -4.186  11.014
  157    HB   THR  21           HB       THR  21 -15.514  -2.907  13.142
  158    HG1  THR  21           HG1      THR  21 -12.674  -3.122  12.895
  159   HG21  THR  21          HG21      THR  21 -15.556  -5.377  12.983
  160   HG22  THR  21          HG22      THR  21 -14.770  -4.846  14.471
  161   HG23  THR  21          HG23      THR  21 -13.796  -5.410  13.115
  162    H    ASP  22           HN       ASP  22 -15.040  -3.686   8.875
  163    HA   ASP  22           HA       ASP  22 -17.595  -4.967   9.096
  164    HB2  ASP  22           HB2      ASP  22 -18.926  -3.245   8.044
  165    HB3  ASP  22           HB1      ASP  22 -18.126  -2.500   9.416
  166    H    GLY  23           HN       GLY  23 -18.342  -4.244   6.366
  167    HA2  GLY  23           HA2      GLY  23 -16.679  -6.090   4.968
  168    HA3  GLY  23           HA1      GLY  23 -18.017  -5.174   4.298
  169    H    THR  24           HN       THR  24 -14.908  -4.309   5.676
  170    HA   THR  24           HA       THR  24 -14.237  -2.800   3.257
  171    HB   THR  24           HB       THR  24 -13.151  -2.424   6.087
  172    HG1  THR  24           HG1      THR  24 -15.082  -1.435   6.380
  173   HG21  THR  24          HG21      THR  24 -12.983  -0.673   3.619
  174   HG22  THR  24          HG22      THR  24 -11.660  -1.637   4.279
  175   HG23  THR  24          HG23      THR  24 -12.313  -0.283   5.204
  176    H    ASP  25           HN       ASP  25 -13.648  -4.873   2.410
  177    HA   ASP  25           HA       ASP  25 -11.267  -6.135   3.556
  178    HB2  ASP  25           HB2      ASP  25 -12.084  -8.186   2.517
  179    HB3  ASP  25           HB1      ASP  25 -13.254  -7.525   3.653
  180    H    LEU  26           HN       LEU  26  -9.691  -6.883   2.145
  181    HA   LEU  26           HA       LEU  26  -9.857  -6.170  -0.684
  182    HB2  LEU  26           HB2      LEU  26  -8.789  -4.287   0.665
  183    HB3  LEU  26           HB1      LEU  26  -7.500  -5.408   1.056
  184    HG   LEU  26           HG       LEU  26  -7.030  -5.634  -1.377
  185   HD11  LEU  26          HD11      LEU  26  -9.001  -3.371  -1.627
  186   HD12  LEU  26          HD12      LEU  26  -9.199  -5.013  -2.242
  187   HD13  LEU  26          HD13      LEU  26  -7.946  -3.965  -2.910
  188   HD21  LEU  26          HD21      LEU  26  -5.928  -3.461  -1.601
  189   HD22  LEU  26          HD22      LEU  26  -5.717  -4.134   0.017
  190   HD23  LEU  26          HD23      LEU  26  -6.885  -2.841  -0.256
  191    H    SER  27           HN       SER  27 -10.016  -8.627   0.772
  192    HA   SER  27           HA       SER  27  -7.438  -9.893   0.522
  193    HB2  SER  27           HB2      SER  27 -10.117 -10.989   1.384
  194    HB3  SER  27           HB1      SER  27  -8.574 -11.841   1.494
  195    HG   SER  27           HG       SER  27  -7.905 -10.550   3.026
  196    H    GLY  28           HN       GLY  28  -7.158  -9.712  -1.662
  197    HA2  GLY  28           HA2      GLY  28  -7.760 -11.849  -3.260
  198    HA3  GLY  28           HA1      GLY  28  -8.942 -10.590  -3.642
  199    H    ASP  29           HN       ASP  29  -7.807 -10.508  -5.765
  200    HA   ASP  29           HA       ASP  29  -5.198  -9.321  -5.558
  201    HB2  ASP  29           HB2      ASP  29  -6.784 -10.238  -7.935
  202    HB3  ASP  29           HB1      ASP  29  -5.374  -9.195  -8.136
  203    H    PHE  30           HN       PHE  30  -4.620  -7.377  -6.002
  204    HA   PHE  30           HA       PHE  30  -6.726  -5.354  -6.331
  205    HB2  PHE  30           HB2      PHE  30  -6.232  -4.263  -4.231
  206    HB3  PHE  30           HB1      PHE  30  -6.596  -5.951  -3.916
  207    HD1  PHE  30           HD1      PHE  30  -4.577  -7.561  -3.671
  208    HD2  PHE  30           HD2      PHE  30  -4.274  -3.326  -3.399
  209    HE1  PHE  30           HE1      PHE  30  -2.436  -7.789  -2.495
  210    HE2  PHE  30           HE2      PHE  30  -2.133  -3.554  -2.225
  211    HZ   PHE  30           HZ       PHE  30  -1.211  -5.785  -1.776
  212    H    LEU  31           HN       LEU  31  -3.515  -6.421  -6.781
  213    HA   LEU  31           HA       LEU  31  -1.898  -4.228  -6.579
  214    HB2  LEU  31           HB2      LEU  31  -1.298  -6.625  -7.031
  215    HB3  LEU  31           HB1      LEU  31  -1.728  -6.346  -8.704
  216    HG   LEU  31           HG       LEU  31  -0.011  -4.569  -8.765
  217   HD11  LEU  31          HD11      LEU  31   0.168  -4.123  -6.385
  218   HD12  LEU  31          HD12      LEU  31   1.739  -4.598  -7.026
  219   HD13  LEU  31          HD13      LEU  31   0.776  -5.753  -6.104
  220   HD21  LEU  31          HD21      LEU  31   0.933  -7.360  -8.115
  221   HD22  LEU  31          HD22      LEU  31   1.883  -6.131  -8.954
  222   HD23  LEU  31          HD23      LEU  31   0.418  -6.772  -9.696
  223    H    ASP  32           HN       ASP  32  -4.086  -5.077  -9.188
  224    HA   ASP  32           HA       ASP  32  -3.168  -2.870 -10.865
  225    HB2  ASP  32           HB2      ASP  32  -4.502  -3.949 -12.605
  226    HB3  ASP  32           HB1      ASP  32  -3.369  -5.085 -11.878
  227    H    LEU  33           HN       LEU  33  -5.268  -3.165  -8.421
  228    HA   LEU  33           HA       LEU  33  -7.532  -1.836  -9.647
  229    HB2  LEU  33           HB2      LEU  33  -7.057  -3.065  -6.954
  230    HB3  LEU  33           HB1      LEU  33  -8.370  -1.933  -7.176
  231    HG   LEU  33           HG       LEU  33  -9.417  -3.432  -8.811
  232   HD11  LEU  33          HD11      LEU  33  -8.597  -5.700  -9.178
  233   HD12  LEU  33          HD12      LEU  33  -7.127  -5.320  -8.279
  234   HD13  LEU  33          HD13      LEU  33  -7.475  -4.490  -9.788
  235   HD21  LEU  33          HD21      LEU  33  -8.658  -4.808  -6.254
  236   HD22  LEU  33          HD22      LEU  33 -10.019  -5.238  -7.292
  237   HD23  LEU  33          HD23      LEU  33  -9.986  -3.670  -6.482
  238    H    ARG  34           HN       ARG  34  -8.251   0.165  -9.061
  239    HA   ARG  34           HA       ARG  34  -6.128   2.041  -8.384
  240    HB2  ARG  34           HB2      ARG  34  -9.040   2.665  -8.892
  241    HB3  ARG  34           HB1      ARG  34  -7.682   3.772  -8.985
  242    HG2  ARG  34           HG2      ARG  34  -8.191   1.454 -10.837
  243    HG3  ARG  34           HG1      ARG  34  -8.527   3.144 -11.188
  244    HD2  ARG  34           HD2      ARG  34  -6.143   3.654 -11.055
  245    HD3  ARG  34           HD1      ARG  34  -5.800   1.972 -10.636
  246    HE   ARG  34           HE       ARG  34  -7.163   1.741 -12.930
  247   HH11  ARG  34          HH11      ARG  34  -4.339   3.793 -12.168
  248   HH12  ARG  34          HH12      ARG  34  -3.703   3.660 -13.756
  249   HH21  ARG  34          HH21      ARG  34  -6.188   1.576 -15.070
  250   HH22  ARG  34          HH22      ARG  34  -4.732   2.439 -15.377
  251    H    PHE  35           HN       PHE  35  -5.889   3.042  -6.425
  252    HA   PHE  35           HA       PHE  35  -7.115   2.160  -4.099
  253    HB2  PHE  35           HB2      PHE  35  -5.693   4.751  -4.652
  254    HB3  PHE  35           HB1      PHE  35  -6.327   4.351  -3.057
  255    HD1  PHE  35           HD1      PHE  35  -5.535   2.244  -1.953
  256    HD2  PHE  35           HD2      PHE  35  -3.636   3.920  -5.357
  257    HE1  PHE  35           HE1      PHE  35  -3.512   0.961  -1.441
  258    HE2  PHE  35           HE2      PHE  35  -1.609   2.639  -4.855
  259    HZ   PHE  35           HZ       PHE  35  -1.537   1.156  -2.896
  260    H    GLU  36           HN       GLU  36  -8.007   4.988  -6.014
  261    HA   GLU  36           HA       GLU  36 -10.059   5.960  -4.371
  262    HB2  GLU  36           HB2      GLU  36 -10.936   7.105  -6.356
  263    HB3  GLU  36           HB1      GLU  36  -9.190   7.252  -6.255
  264    HG2  GLU  36           HG2      GLU  36  -8.920   5.542  -7.951
  265    HG3  GLU  36           HG1      GLU  36 -10.666   5.302  -8.003
  266    H    ASP  37           HN       ASP  37 -10.025   3.248  -6.475
  267    HA   ASP  37           HA       ASP  37 -12.903   3.003  -6.687
  268    HB2  ASP  37           HB2      ASP  37 -11.642   2.434  -8.630
  269    HB3  ASP  37           HB1      ASP  37 -10.582   1.379  -7.710
  270    H    ILE  38           HN       ILE  38 -10.261   1.622  -4.890
  271    HA   ILE  38           HA       ILE  38 -12.036  -0.421  -3.847
  272    HB   ILE  38           HB       ILE  38 -10.009  -1.429  -2.791
  273   HG12  ILE  38          HG12      ILE  38  -8.553   0.693  -4.400
  274   HG13  ILE  38          HG11      ILE  38  -8.615   0.600  -2.647
  275   HG21  ILE  38          HG21      ILE  38  -9.944  -0.990  -5.763
  276   HG22  ILE  38          HG22      ILE  38 -10.872  -2.217  -4.898
  277   HG23  ILE  38          HG23      ILE  38  -9.109  -2.283  -4.904
  278   HD11  ILE  38          HD11      ILE  38  -7.315  -1.411  -4.482
  279   HD12  ILE  38          HD12      ILE  38  -7.370  -1.508  -2.722
  280   HD13  ILE  38          HD13      ILE  38  -6.483  -0.200  -3.505
  281    H    GLY  39           HN       GLY  39 -12.060   2.438  -3.086
  282    HA2  GLY  39           HA2      GLY  39 -12.902   3.490  -1.219
  283    HA3  GLY  39           HA1      GLY  39 -12.854   1.944  -0.393
  284    H    TYR  40           HN       TYR  40 -10.090   3.643  -1.801
  285    HA   TYR  40           HA       TYR  40  -9.054   3.869   0.925
  286    HB2  TYR  40           HB2      TYR  40  -7.670   3.449  -1.680
  287    HB3  TYR  40           HB1      TYR  40  -6.821   4.231  -0.356
  288    HD1  TYR  40           HD1      TYR  40  -8.899   1.232  -1.041
  289    HD2  TYR  40           HD2      TYR  40  -5.632   2.890   1.096
  290    HE1  TYR  40           HE1      TYR  40  -8.398  -0.968  -0.135
  291    HE2  TYR  40           HE2      TYR  40  -5.107   0.688   2.022
  292    HH   TYR  40           HH       TYR  40  -6.516  -2.181   0.847
  293    H    ASP  41           HN       ASP  41  -9.115   5.728   1.788
  294    HA   ASP  41           HA       ASP  41  -9.127   8.158   0.196
  295    HB2  ASP  41           HB2      ASP  41  -9.127   7.759   3.206
  296    HB3  ASP  41           HB1      ASP  41  -9.226   9.311   2.397
  297    H    SER  42           HN       SER  42  -7.581   9.814   0.621
  298    HA   SER  42           HA       SER  42  -4.922   9.245   0.389
  299    HB2  SER  42           HB2      SER  42  -4.648  11.592   1.174
  300    HB3  SER  42           HB1      SER  42  -5.873  11.398  -0.091
  301    H    LEU  43           HN       LEU  43  -6.806   9.810   3.294
  302    HA   LEU  43           HA       LEU  43  -4.780   9.875   5.227
  303    HB2  LEU  43           HB2      LEU  43  -7.079  10.547   5.671
  304    HB3  LEU  43           HB1      LEU  43  -7.599   8.876   5.537
  305    HG   LEU  43           HG       LEU  43  -6.109   8.340   7.474
  306   HD11  LEU  43          HD11      LEU  43  -5.911  11.334   7.706
  307   HD12  LEU  43          HD12      LEU  43  -4.595  10.224   7.326
  308   HD13  LEU  43          HD13      LEU  43  -5.369  10.166   8.910
  309   HD21  LEU  43          HD21      LEU  43  -7.629   9.248   9.145
  310   HD22  LEU  43          HD22      LEU  43  -8.495   8.629   7.728
  311   HD23  LEU  43          HD23      LEU  43  -8.265  10.369   7.936
  312    H    ALA  44           HN       ALA  44  -6.833   7.090   4.306
  313    HA   ALA  44           HA       ALA  44  -5.453   5.229   5.907
  314    HB1  ALA  44           HB1      ALA  44  -6.593   3.503   4.617
  315    HB2  ALA  44           HB2      ALA  44  -7.026   4.695   3.389
  316    HB3  ALA  44           HB3      ALA  44  -7.702   4.816   5.014
  317    H    LEU  45           HN       LEU  45  -4.910   6.392   2.697
  318    HA   LEU  45           HA       LEU  45  -3.019   4.439   1.952
  319    HB2  LEU  45           HB2      LEU  45  -4.242   5.808   0.349
  320    HB3  LEU  45           HB1      LEU  45  -3.441   7.245   0.944
  321    HG   LEU  45           HG       LEU  45  -1.312   6.455   0.046
  322   HD11  LEU  45          HD11      LEU  45  -1.218   4.429  -1.326
  323   HD12  LEU  45          HD12      LEU  45  -2.902   4.078  -0.930
  324   HD13  LEU  45          HD13      LEU  45  -1.674   4.039   0.334
  325   HD21  LEU  45          HD21      LEU  45  -2.839   7.754  -1.327
  326   HD22  LEU  45          HD22      LEU  45  -3.569   6.249  -1.914
  327   HD23  LEU  45          HD23      LEU  45  -1.881   6.623  -2.297
  328    H    MET  46           HN       MET  46  -2.719   7.635   3.479
  329    HA   MET  46           HA       MET  46   0.130   7.533   3.534
  330    HB2  MET  46           HB2      MET  46   0.104   9.556   4.770
  331    HB3  MET  46           HB1      MET  46  -1.336   9.654   3.787
  332    HG2  MET  46           HG2      MET  46  -2.093  10.431   5.842
  333    HG3  MET  46           HG1      MET  46  -2.532   8.739   5.892
  334    HE1  MET  46           HE1      MET  46  -1.567   9.504   9.633
  335    HE2  MET  46           HE2      MET  46  -2.824   8.900   8.554
  336    HE3  MET  46           HE3      MET  46  -2.357  10.601   8.499
  337    H    GLU  47           HN       GLU  47  -2.415   6.489   5.701
  338    HA   GLU  47           HA       GLU  47  -0.825   5.728   7.887
  339    HB2  GLU  47           HB2      GLU  47  -3.413   4.609   6.840
  340    HB3  GLU  47           HB1      GLU  47  -2.732   4.133   8.402
  341    HG2  GLU  47           HG2      GLU  47  -2.944   6.515   9.098
  342    HG3  GLU  47           HG1      GLU  47  -3.708   6.853   7.546
  343    H    THR  48           HN       THR  48  -1.663   4.135   4.903
  344    HA   THR  48           HA       THR  48  -0.542   1.606   5.366
  345    HB   THR  48           HB       THR  48  -0.727   3.147   2.746
  346    HG1  THR  48           HG1      THR  48  -2.770   2.824   3.856
  347   HG21  THR  48          HG21      THR  48  -0.706   0.931   1.682
  348   HG22  THR  48          HG22      THR  48  -0.507   0.173   3.260
  349   HG23  THR  48          HG23      THR  48   0.771   1.202   2.611
  350    H    ALA  49           HN       ALA  49   0.775   4.495   3.756
  351    HA   ALA  49           HA       ALA  49   3.329   3.607   3.260
  352    HB1  ALA  49           HB1      ALA  49   3.954   5.970   3.091
  353    HB2  ALA  49           HB2      ALA  49   2.462   6.426   3.911
  354    HB3  ALA  49           HB3      ALA  49   2.397   5.663   2.322
  355    H    ALA  50           HN       ALA  50   2.076   5.288   6.116
  356    HA   ALA  50           HA       ALA  50   4.410   5.526   7.604
  357    HB1  ALA  50           HB1      ALA  50   2.297   6.619   8.189
  358    HB2  ALA  50           HB2      ALA  50   2.967   5.729   9.557
  359    HB3  ALA  50           HB3      ALA  50   1.617   5.056   8.641
  360    H    ARG  51           HN       ARG  51   2.068   2.852   7.562
  361    HA   ARG  51           HA       ARG  51   3.373   1.232   9.470
  362    HB2  ARG  51           HB2      ARG  51   1.074   0.773   8.966
  363    HB3  ARG  51           HB1      ARG  51   1.420   0.566   7.259
  364    HG2  ARG  51           HG2      ARG  51   2.625  -1.498   7.729
  365    HG3  ARG  51           HG1      ARG  51   2.361  -1.272   9.458
  366    HD2  ARG  51           HD2      ARG  51   0.009  -1.569   9.212
  367    HD3  ARG  51           HD1      ARG  51   0.128  -1.505   7.454
  368    HE   ARG  51           HE       ARG  51   1.558  -3.611   7.792
  369   HH11  ARG  51          HH11      ARG  51  -1.180  -2.833   9.927
  370   HH12  ARG  51          HH12      ARG  51  -1.645  -4.472  10.086
  371   HH21  ARG  51          HH21      ARG  51   0.868  -5.790   7.995
  372   HH22  ARG  51          HH22      ARG  51  -0.536  -6.174   8.921
  373    H    LEU  52           HN       LEU  52   3.749   1.540   6.017
  374    HA   LEU  52           HA       LEU  52   5.408  -0.698   5.565
  375    HB2  LEU  52           HB2      LEU  52   5.481   1.962   4.153
  376    HB3  LEU  52           HB1      LEU  52   6.105   0.447   3.541
  377    HG   LEU  52           HG       LEU  52   3.191   1.032   4.048
  378   HD11  LEU  52          HD11      LEU  52   2.998   1.169   1.649
  379   HD12  LEU  52          HD12      LEU  52   4.725   0.894   1.485
  380   HD13  LEU  52          HD13      LEU  52   4.143   2.375   2.239
  381   HD21  LEU  52          HD21      LEU  52   4.532  -1.285   2.659
  382   HD22  LEU  52          HD22      LEU  52   2.793  -1.013   2.773
  383   HD23  LEU  52          HD23      LEU  52   3.730  -1.347   4.228
  384    H    GLU  53           HN       GLU  53   6.124   2.687   6.243
  385    HA   GLU  53           HA       GLU  53   8.903   2.478   6.234
  386    HB2  GLU  53           HB2      GLU  53   7.160   4.443   7.703
  387    HB3  GLU  53           HB1      GLU  53   8.900   4.600   7.507
  388    HG2  GLU  53           HG2      GLU  53   8.556   4.601   5.051
  389    HG3  GLU  53           HG1      GLU  53   6.820   4.632   5.335
  390    H    SER  54           HN       SER  54   6.635   2.222   8.957
  391    HA   SER  54           HA       SER  54   8.661   1.960  10.881
  392    HB2  SER  54           HB2      SER  54   6.753   1.087  12.321
  393    HB3  SER  54           HB1      SER  54   6.549   2.699  11.638
  394    HG   SER  54           HG       SER  54   4.741   1.921  11.014
  395    H    ARG  55           HN       ARG  55   6.566  -0.488   9.426
  396    HA   ARG  55           HA       ARG  55   7.744  -2.638  10.822
  397    HB2  ARG  55           HB2      ARG  55   5.451  -2.669   9.988
  398    HB3  ARG  55           HB1      ARG  55   6.048  -2.672   8.341
  399    HG2  ARG  55           HG2      ARG  55   6.996  -4.868   8.641
  400    HG3  ARG  55           HG1      ARG  55   6.542  -4.860  10.351
  401    HD2  ARG  55           HD2      ARG  55   4.182  -4.651   9.695
  402    HD3  ARG  55           HD1      ARG  55   4.663  -4.703   8.006
  403    HE   ARG  55           HE       ARG  55   5.504  -6.982   8.476
  404   HH11  ARG  55          HH11      ARG  55   2.994  -5.611  10.621
  405   HH12  ARG  55          HH12      ARG  55   2.344  -7.154  10.994
  406   HH21  ARG  55          HH21      ARG  55   4.510  -9.016   8.937
  407   HH22  ARG  55          HH22      ARG  55   3.180  -9.122   9.990
  408    H    TYR  56           HN       TYR  56   8.317  -1.415   7.512
  409    HA   TYR  56           HA       TYR  56  10.139  -3.669   7.131
  410    HB2  TYR  56           HB2      TYR  56   9.241  -1.669   5.051
  411    HB3  TYR  56           HB1      TYR  56  10.077  -3.189   4.760
  412    HD1  TYR  56           HD2      TYR  56   8.710  -5.243   6.098
  413    HD2  TYR  56           HD1      TYR  56   7.040  -1.710   4.432
  414    HE1  TYR  56           HE2      TYR  56   6.512  -6.349   5.948
  415    HE2  TYR  56           HE1      TYR  56   4.852  -2.801   4.289
  416    HH   TYR  56           HH       TYR  56   3.995  -5.190   4.129
  417    H    GLY  57           HN       GLY  57  10.420  -0.699   8.361
  418    HA2  GLY  57           HA2      GLY  57  12.235   0.597   8.885
  419    HA3  GLY  57           HA1      GLY  57  13.238  -0.722   8.307
  420    H    VAL  58           HN       VAL  58  10.969   1.492   6.725
  421    HA   VAL  58           HA       VAL  58  13.151   2.269   4.951
  422    HB   VAL  58           HB       VAL  58  11.619   2.411   3.011
  423   HG11  VAL  58          HG11      VAL  58  11.712  -0.322   4.259
  424   HG12  VAL  58          HG12      VAL  58  12.961   0.419   3.257
  425   HG13  VAL  58          HG13      VAL  58  11.389   0.020   2.561
  426   HG21  VAL  58          HG21      VAL  58   9.414   1.328   3.083
  427   HG22  VAL  58          HG22      VAL  58   9.503   2.705   4.181
  428   HG23  VAL  58          HG23      VAL  58   9.608   1.063   4.817
  429    H    SER  59           HN       SER  59  12.510   4.256   3.627
  430    HA   SER  59           HA       SER  59  10.872   6.104   5.170
  431    HB2  SER  59           HB2      SER  59  13.650   6.667   4.078
  432    HB3  SER  59           HB1      SER  59  12.610   7.825   4.911
  433    HG   SER  59           HG       SER  59  13.895   5.526   5.930
  434    H    ILE  60           HN       ILE  60   9.375   6.750   3.852
  435    HA   ILE  60           HA       ILE  60   9.721   6.460   0.976
  436    HB   ILE  60           HB       ILE  60   7.250   6.964   2.656
  437   HG12  ILE  60          HG12      ILE  60   8.163   4.503   1.146
  438   HG13  ILE  60          HG11      ILE  60   8.241   4.718   2.888
  439   HG21  ILE  60          HG21      ILE  60   5.949   6.569   0.613
  440   HG22  ILE  60          HG22      ILE  60   7.444   6.484  -0.322
  441   HG23  ILE  60          HG23      ILE  60   6.979   7.994   0.461
  442   HD11  ILE  60          HD11      ILE  60   5.730   4.636   1.229
  443   HD12  ILE  60          HD12      ILE  60   5.807   4.825   2.982
  444   HD13  ILE  60          HD13      ILE  60   6.358   3.327   2.231
  445    HA   PRO  61           HA       PRO  61  10.266  10.895   0.582
  446    HB2  PRO  61           HB2      PRO  61   9.900  10.346  -2.294
  447    HB3  PRO  61           HB1      PRO  61  11.295  11.043  -1.466
  448    HG2  PRO  61           HG2      PRO  61  11.366   8.566  -2.498
  449    HG3  PRO  61           HG1      PRO  61  12.216   8.977  -0.996
  450    HD2  PRO  61           HD2      PRO  61   9.605   7.566  -1.374
  451    HD3  PRO  61           HD1      PRO  61  10.930   7.198  -0.249
  452    H    ASP  62           HN       ASP  62   8.833  12.486   0.465
  453    HA   ASP  62           HA       ASP  62   6.079  12.022   0.617
  454    HB2  ASP  62           HB2      ASP  62   7.517  14.623   0.062
  455    HB3  ASP  62           HB1      ASP  62   5.792  14.512   0.355
  456    H    ASP  63           HN       ASP  63   7.955  13.217  -2.133
  457    HA   ASP  63           HA       ASP  63   5.618  13.775  -3.698
  458    HB2  ASP  63           HB2      ASP  63   7.831  14.944  -3.937
  459    HB3  ASP  63           HB1      ASP  63   8.471  13.475  -4.658
  460    H    VAL  64           HN       VAL  64   7.628  11.069  -3.174
  461    HA   VAL  64           HA       VAL  64   6.758   9.573  -5.480
  462    HB   VAL  64           HB       VAL  64   8.274   8.697  -2.992
  463   HG11  VAL  64          HG11      VAL  64   7.789   7.166  -5.552
  464   HG12  VAL  64          HG12      VAL  64   7.096   6.786  -3.975
  465   HG13  VAL  64          HG13      VAL  64   8.837   6.654  -4.230
  466   HG21  VAL  64          HG21      VAL  64   9.208   9.265  -5.800
  467   HG22  VAL  64          HG22      VAL  64  10.218   8.667  -4.484
  468   HG23  VAL  64          HG23      VAL  64   9.493  10.272  -4.382
  469    H    ALA  65           HN       ALA  65   5.907   9.770  -2.067
  470    HA   ALA  65           HA       ALA  65   4.184   7.564  -1.911
  471    HB1  ALA  65           HB1      ALA  65   3.989  10.167  -0.393
  472    HB2  ALA  65           HB2      ALA  65   5.003   8.794   0.055
  473    HB3  ALA  65           HB3      ALA  65   3.247   8.634   0.066
  474    H    GLY  66           HN       GLY  66   3.623  10.825  -3.042
  475    HA2  GLY  66           HA2      GLY  66   0.769  10.449  -3.166
  476    HA3  GLY  66           HA1      GLY  66   1.658  11.875  -3.664
  477    H    ARG  67           HN       ARG  67   3.098   9.273  -5.195
  478    HA   ARG  67           HA       ARG  67   1.535   9.910  -7.611
  479    HB2  ARG  67           HB2      ARG  67   3.377   9.171  -8.944
  480    HB3  ARG  67           HB1      ARG  67   4.028  10.207  -7.688
  481    HG2  ARG  67           HG2      ARG  67   4.740   8.212  -6.434
  482    HG3  ARG  67           HG1      ARG  67   4.108   7.191  -7.721
  483    HD2  ARG  67           HD2      ARG  67   5.636   8.307  -9.308
  484    HD3  ARG  67           HD1      ARG  67   6.309   9.234  -7.969
  485    HE   ARG  67           HE       ARG  67   6.376   6.353  -7.676
  486   HH11  ARG  67          HH11      ARG  67   8.162   9.262  -8.665
  487   HH12  ARG  67          HH12      ARG  67   9.696   8.543  -8.526
  488   HH21  ARG  67          HH21      ARG  67   8.511   5.304  -7.632
  489   HH22  ARG  67          HH22      ARG  67   9.881   6.220  -8.036
  490    H    VAL  68           HN       VAL  68   1.336   7.691  -5.272
  491    HA   VAL  68           HA       VAL  68   1.345   5.307  -6.806
  492    HB   VAL  68           HB       VAL  68   0.633   5.929  -3.950
  493   HG11  VAL  68          HG11      VAL  68   0.933   3.573  -3.571
  494   HG12  VAL  68          HG12      VAL  68   1.190   3.352  -5.323
  495   HG13  VAL  68          HG13      VAL  68  -0.368   3.953  -4.712
  496   HG21  VAL  68          HG21      VAL  68   3.202   4.867  -5.122
  497   HG22  VAL  68          HG22      VAL  68   2.849   5.025  -3.401
  498   HG23  VAL  68          HG23      VAL  68   2.959   6.464  -4.414
  499    H    ASP  69           HN       ASP  69  -0.314   5.481  -8.237
  500    HA   ASP  69           HA       ASP  69  -3.030   6.077  -7.326
  501    HB2  ASP  69           HB2      ASP  69  -2.428   7.110  -9.405
  502    HB3  ASP  69           HB1      ASP  69  -1.782   5.607 -10.041
  503    H    THR  70           HN       THR  70  -0.937   3.514  -8.100
  504    HA   THR  70           HA       THR  70  -3.066   1.548  -7.631
  505    HB   THR  70           HB       THR  70  -1.861   0.017  -9.241
  506    HG1  THR  70           HG1      THR  70  -0.471   2.420  -9.762
  507   HG21  THR  70          HG21      THR  70  -2.837   0.997 -11.283
  508   HG22  THR  70          HG22      THR  70  -3.035   2.533 -10.443
  509   HG23  THR  70          HG23      THR  70  -3.942   1.116  -9.912
  510    HA   PRO  71           HA       PRO  71  -0.361  -0.074  -4.506
  511    HB2  PRO  71           HB2      PRO  71  -1.253  -2.752  -5.454
  512    HB3  PRO  71           HB1      PRO  71  -1.309  -2.059  -3.828
  513    HG2  PRO  71           HG2      PRO  71  -3.530  -2.253  -5.242
  514    HG3  PRO  71           HG1      PRO  71  -3.204  -0.786  -4.296
  515    HD2  PRO  71           HD2      PRO  71  -2.900  -1.247  -7.239
  516    HD3  PRO  71           HD1      PRO  71  -3.576   0.156  -6.384
  517    H    ARG  72           HN       ARG  72  -0.242  -1.308  -7.755
  518    HA   ARG  72           HA       ARG  72   2.033  -2.887  -7.841
  519    HB2  ARG  72           HB2      ARG  72   0.491  -2.271  -9.752
  520    HB3  ARG  72           HB1      ARG  72   1.358  -0.746  -9.859
  521    HG2  ARG  72           HG2      ARG  72   3.465  -2.178 -10.172
  522    HG3  ARG  72           HG1      ARG  72   2.348  -3.512 -10.467
  523    HD2  ARG  72           HD2      ARG  72   2.594  -0.937 -11.990
  524    HD3  ARG  72           HD1      ARG  72   2.958  -2.554 -12.572
  525    HE   ARG  72           HE       ARG  72   0.488  -3.001 -12.268
  526   HH11  ARG  72          HH11      ARG  72   1.726   0.259 -13.127
  527   HH12  ARG  72          HH12      ARG  72   0.241   0.764 -13.791
  528   HH21  ARG  72          HH21      ARG  72  -1.502  -2.270 -13.266
  529   HH22  ARG  72          HH22      ARG  72  -1.623  -0.704 -13.911
  530    H    GLU  73           HN       GLU  73   1.771   0.619  -8.113
  531    HA   GLU  73           HA       GLU  73   4.509   1.218  -8.434
  532    HB2  GLU  73           HB2      GLU  73   2.283   2.961  -7.398
  533    HB3  GLU  73           HB1      GLU  73   3.811   3.505  -8.094
  534    HG2  GLU  73           HG2      GLU  73   3.220   2.591 -10.225
  535    HG3  GLU  73           HG1      GLU  73   1.755   1.885  -9.556
  536    H    LEU  74           HN       LEU  74   2.412   0.946  -5.683
  537    HA   LEU  74           HA       LEU  74   4.213   2.047  -3.788
  538    HB2  LEU  74           HB2      LEU  74   1.706   1.879  -3.536
  539    HB3  LEU  74           HB1      LEU  74   1.886   0.161  -3.304
  540    HG   LEU  74           HG       LEU  74   1.502   1.546  -1.205
  541   HD11  LEU  74          HD11      LEU  74   3.081   0.313   0.145
  542   HD12  LEU  74          HD12      LEU  74   3.997  -0.117  -1.301
  543   HD13  LEU  74          HD13      LEU  74   2.355  -0.719  -1.086
  544   HD21  LEU  74          HD21      LEU  74   4.348   2.391  -1.741
  545   HD22  LEU  74          HD22      LEU  74   3.426   2.732  -0.276
  546   HD23  LEU  74          HD23      LEU  74   2.929   3.431  -1.819
  547    H    LEU  75           HN       LEU  75   3.372  -1.266  -4.715
  548    HA   LEU  75           HA       LEU  75   5.108  -2.663  -3.029
  549    HB2  LEU  75           HB2      LEU  75   3.324  -3.717  -4.374
  550    HB3  LEU  75           HB1      LEU  75   4.233  -3.390  -5.832
  551    HG   LEU  75           HG       LEU  75   6.027  -4.897  -5.016
  552   HD11  LEU  75          HD11      LEU  75   5.633  -4.707  -2.630
  553   HD12  LEU  75          HD12      LEU  75   5.569  -6.394  -3.139
  554   HD13  LEU  75          HD13      LEU  75   4.076  -5.517  -2.805
  555   HD21  LEU  75          HD21      LEU  75   3.277  -6.133  -5.170
  556   HD22  LEU  75          HD22      LEU  75   4.804  -6.985  -5.401
  557   HD23  LEU  75          HD23      LEU  75   4.315  -5.729  -6.538
  558    H    ASP  76           HN       ASP  76   5.581  -1.386  -6.258
  559    HA   ASP  76           HA       ASP  76   8.141  -2.217  -6.880
  560    HB2  ASP  76           HB2      ASP  76   6.654  -1.065  -8.433
  561    HB3  ASP  76           HB1      ASP  76   6.795   0.413  -7.497
  562    H    LEU  77           HN       LEU  77   7.142   0.645  -5.105
  563    HA   LEU  77           HA       LEU  77   9.684   1.747  -4.637
  564    HB2  LEU  77           HB2      LEU  77   7.757   3.118  -4.382
  565    HB3  LEU  77           HB1      LEU  77   7.046   2.028  -3.200
  566    HG   LEU  77           HG       LEU  77   8.829   2.688  -1.681
  567   HD11  LEU  77          HD11      LEU  77  10.142   4.725  -2.152
  568   HD12  LEU  77          HD12      LEU  77   9.503   4.731  -3.795
  569   HD13  LEU  77          HD13      LEU  77  10.535   3.406  -3.254
  570   HD21  LEU  77          HD21      LEU  77   6.658   3.716  -1.545
  571   HD22  LEU  77          HD22      LEU  77   7.119   4.909  -2.760
  572   HD23  LEU  77          HD23      LEU  77   7.902   4.911  -1.180
  573    H    ILE  78           HN       ILE  78   7.609  -0.183  -2.495
  574    HA   ILE  78           HA       ILE  78   9.488  -0.206  -0.366
  575    HB   ILE  78           HB       ILE  78   7.109  -2.040  -0.786
  576   HG12  ILE  78          HG12      ILE  78   6.437   0.300  -0.759
  577   HG13  ILE  78          HG11      ILE  78   5.945  -0.479   0.735
  578   HG21  ILE  78          HG21      ILE  78   8.681  -2.948   0.856
  579   HG22  ILE  78          HG22      ILE  78   7.206  -2.390   1.649
  580   HG23  ILE  78          HG23      ILE  78   8.674  -1.413   1.727
  581   HD11  ILE  78          HD11      ILE  78   6.808   1.758   1.142
  582   HD12  ILE  78          HD12      ILE  78   8.340   1.319   0.387
  583   HD13  ILE  78          HD13      ILE  78   7.847   0.545   1.892
  584    H    ASN  79           HN       ASN  79   8.556  -2.775  -2.665
  585    HA   ASN  79           HA       ASN  79  10.394  -4.673  -1.642
  586    HB2  ASN  79           HB2      ASN  79   8.467  -5.371  -2.965
  587    HB3  ASN  79           HB1      ASN  79   9.048  -4.498  -4.375
  588   HD21  ASN  79          HD21      ASN  79   8.279  -7.315  -3.904
  589   HD22  ASN  79          HD22      ASN  79   9.599  -8.260  -4.444
  590    H    GLY  80           HN       GLY  80  10.628  -2.217  -4.165
  591    HA2  GLY  80           HA2      GLY  80  13.192  -2.865  -5.111
  592    HA3  GLY  80           HA1      GLY  80  12.447  -1.270  -5.166
  593    H    ALA  81           HN       ALA  81  12.126  -0.876  -2.399
  594    HA   ALA  81           HA       ALA  81  14.706   0.058  -1.690
  595    HB1  ALA  81           HB1      ALA  81  12.650   1.208  -1.014
  596    HB2  ALA  81           HB2      ALA  81  13.649   0.798   0.380
  597    HB3  ALA  81           HB3      ALA  81  12.219  -0.168   0.003
  598    H    LEU  82           HN       LEU  82  12.771  -2.704  -0.729
  599    HA   LEU  82           HA       LEU  82  14.495  -3.661   1.307
  600    HB2  LEU  82           HB2      LEU  82  12.568  -5.189  -0.451
  601    HB3  LEU  82           HB1      LEU  82  13.353  -5.846   0.966
  602    HG   LEU  82           HG       LEU  82  11.354  -3.581   0.943
  603   HD11  LEU  82          HD11      LEU  82  10.339  -5.728   0.449
  604   HD12  LEU  82          HD12      LEU  82   9.882  -5.179   2.062
  605   HD13  LEU  82          HD13      LEU  82  11.106  -6.435   1.871
  606   HD21  LEU  82          HD21      LEU  82  12.693  -4.987   3.255
  607   HD22  LEU  82          HD22      LEU  82  11.413  -3.781   3.387
  608   HD23  LEU  82          HD23      LEU  82  12.990  -3.325   2.745
  609    H    ALA  83           HN       ALA  83  14.341  -4.170  -2.152
  610    HA   ALA  83           HA       ALA  83  16.326  -6.138  -2.400
  611    HB1  ALA  83           HB1      ALA  83  14.785  -5.544  -4.218
  612    HB2  ALA  83           HB2      ALA  83  16.464  -5.452  -4.747
  613    HB3  ALA  83           HB3      ALA  83  15.573  -3.975  -4.373
  614    H    GLU  84           HN       GLU  84  16.507  -2.640  -2.206
  615    HA   GLU  84           HA       GLU  84  19.269  -2.407  -2.801
  616    HB2  GLU  84           HB2      GLU  84  17.432  -0.528  -1.325
  617    HB3  GLU  84           HB1      GLU  84  19.079  -0.137  -1.804
  618    HG2  GLU  84           HG2      GLU  84  16.801  -0.803  -3.645
  619    HG3  GLU  84           HG1      GLU  84  17.485   0.797  -3.352
  620    H    ALA  85           HN       ALA  85  17.712  -3.561  -0.044
  621    HA   ALA  85           HA       ALA  85  19.830  -2.846   1.783
  622    HB1  ALA  85           HB1      ALA  85  18.623  -4.202   3.421
  623    HB2  ALA  85           HB2      ALA  85  17.552  -4.794   2.152
  624    HB3  ALA  85           HB3      ALA  85  17.526  -3.089   2.604
  625    H    ALA  86           HN       ALA  86  19.445  -5.056  -0.644
  626    HA   ALA  86           HA       ALA  86  20.570  -6.755  -1.457
  627    HB1  ALA  86           HB1      ALA  86  22.719  -6.042   0.531
  628    HB2  ALA  86           HB2      ALA  86  22.510  -5.303  -1.057
  629    HB3  ALA  86           HB3      ALA  86  22.920  -7.015  -0.927
  630    H28  SXH  87          H28B      SXH  87  -4.513  12.175   3.441
  631   H28A  SXH  87          H28A      SXH  87  -5.217  13.458   4.428
  632    H30  SXH  87          H30C      SXH  87  -1.478  13.549   4.771
  633   H30A  SXH  87          H30A      SXH  87  -2.371  12.098   4.310
  634   H30B  SXH  87          H30B      SXH  87  -2.975  13.128   5.609
  635    H31  SXH  87          H31A      SXH  87  -2.417  12.836   1.989
  636   H31A  SXH  87          H31C      SXH  87  -3.151  14.380   1.549
  637   H31B  SXH  87          H31B      SXH  87  -1.587  14.347   2.362
  638    H32  SXH  87          H32A      SXH  87  -3.820  15.515   5.080
  639   HO33  SXH  87          H33A      SXH  87  -3.580  16.811   2.793
  640   HN36  SXH  87          H36A      SXH  87  -1.586  15.361   5.791
  641    H37  SXH  87          H37A      SXH  87   0.718  16.329   4.416
  642   H37A  SXH  87          H37B      SXH  87  -0.117  17.677   5.131
  643    H38  SXH  87          H38A      SXH  87   1.468  17.188   6.675
  644   H38A  SXH  87          H38B      SXH  87  -0.029  16.463   7.350
  645   HN41  SXH  87          H41A      SXH  87   0.616  14.346   5.205
  646    H42  SXH  87          H42A      SXH  87   3.030  13.101   5.670
  647   H42A  SXH  87          H42B      SXH  87   1.955  12.495   6.932
  648    H43  SXH  87          H43A      SXH  87   0.529  11.534   5.262
  649   H43A  SXH  87          H43B      SXH  87   2.188  11.042   4.844
  650    H2   SXH  87           H2A      SXH  87   1.045  10.361   0.494
  651    H2A  SXH  87           H2B      SXH  87   0.938  12.128   0.588
  652    H3   SXH  87           H3A      SXH  87  -1.190  11.824   1.855
  653    H3A  SXH  87           H3B      SXH  87  -1.046  10.087   1.606
  654    H4   SXH  87           H4B      SXH  87  -2.581  11.119  -0.007
  655    H4A  SXH  87           H4A      SXH  87  -1.269  12.146  -0.586
  656    H5   SXH  87           H5A      SXH  87  -1.344   9.123  -0.712
  657    H5A  SXH  87           H5B      SXH  87  -0.029  10.157  -1.300
  658    H6   SXH  87           H6C      SXH  87  -2.892  10.198  -2.251
  659    H6A  SXH  87           H6A      SXH  87  -1.531   9.483  -3.114
  660    H6B  SXH  87           H6B      SXH  87  -1.592  11.226  -2.853
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  15.885 -14.995  -0.110
    2    H2   MET   1           HT2      MET   1  16.972 -14.712   1.116
    3    H3   MET   1           HT3      MET   1  17.056 -16.168   0.244
    4    HA   MET   1           HA       MET   1  18.802 -14.734  -0.490
    5    HB2  MET   1           HB2      MET   1  17.679 -16.107  -2.203
    6    HB3  MET   1           HB1      MET   1  16.509 -14.827  -2.470
    7    HG2  MET   1           HG2      MET   1  18.118 -14.824  -4.244
    8    HG3  MET   1           HG1      MET   1  18.328 -13.370  -3.271
    9    HE1  MET   1           HE1      MET   1  21.118 -17.050  -3.060
   10    HE2  MET   1           HE2      MET   1  19.740 -16.931  -4.155
   11    HE3  MET   1           HE3      MET   1  19.474 -17.047  -2.414
   12    H    ALA   2           HN       ALA   2  15.641 -13.152  -1.155
   13    HA   ALA   2           HA       ALA   2  16.901 -10.588  -0.548
   14    HB1  ALA   2           HB1      ALA   2  16.927 -10.836  -2.981
   15    HB2  ALA   2           HB2      ALA   2  15.786  -9.586  -2.478
   16    HB3  ALA   2           HB3      ALA   2  15.195 -11.174  -2.966
   17    H    THR   3           HN       THR   3  15.491  -9.130   0.376
   18    HA   THR   3           HA       THR   3  13.059 -10.201   1.484
   19    HB   THR   3           HB       THR   3  14.060  -7.379   1.541
   20    HG1  THR   3           HG1      THR   3  15.535  -7.942   2.931
   21   HG21  THR   3          HG21      THR   3  12.387  -8.987   3.479
   22   HG22  THR   3          HG22      THR   3  11.802  -7.718   2.398
   23   HG23  THR   3          HG23      THR   3  12.896  -7.315   3.723
   24    H    LEU   4           HN       LEU   4  11.450 -10.358   0.048
   25    HA   LEU   4           HA       LEU   4  10.876  -8.057  -1.670
   26    HB2  LEU   4           HB2      LEU   4  10.589 -10.991  -2.350
   27    HB3  LEU   4           HB1      LEU   4  10.068  -9.660  -3.364
   28    HG   LEU   4           HG       LEU   4  12.937 -10.226  -2.601
   29   HD11  LEU   4          HD11      LEU   4  11.490 -10.711  -5.196
   30   HD12  LEU   4          HD12      LEU   4  12.057 -11.947  -4.075
   31   HD13  LEU   4          HD13      LEU   4  13.218 -10.923  -4.921
   32   HD21  LEU   4          HD21      LEU   4  13.475  -8.565  -4.311
   33   HD22  LEU   4          HD22      LEU   4  12.516  -7.862  -3.009
   34   HD23  LEU   4          HD23      LEU   4  11.755  -8.253  -4.553
   35    H    LEU   5           HN       LEU   5   8.783  -7.478  -1.692
   36    HA   LEU   5           HA       LEU   5   7.075  -8.709   0.329
   37    HB2  LEU   5           HB2      LEU   5   7.561  -6.170   0.020
   38    HB3  LEU   5           HB1      LEU   5   6.504  -6.281  -1.371
   39    HG   LEU   5           HG       LEU   5   4.732  -7.154   0.225
   40   HD11  LEU   5          HD11      LEU   5   6.696  -6.084   2.236
   41   HD12  LEU   5          HD12      LEU   5   6.210  -7.768   2.036
   42   HD13  LEU   5          HD13      LEU   5   5.034  -6.569   2.574
   43   HD21  LEU   5          HD21      LEU   5   4.136  -4.905   0.994
   44   HD22  LEU   5          HD22      LEU   5   4.690  -4.880  -0.679
   45   HD23  LEU   5          HD23      LEU   5   5.761  -4.341   0.614
   46    H    THR   6           HN       THR   6   5.501 -10.175  -0.419
   47    HA   THR   6           HA       THR   6   5.068 -10.022  -3.272
   48    HB   THR   6           HB       THR   6   4.187 -12.366  -3.163
   49    HG1  THR   6           HG1      THR   6   4.848 -12.055  -0.413
   50   HG21  THR   6          HG21      THR   6   7.008 -11.930  -2.196
   51   HG22  THR   6          HG22      THR   6   6.459 -11.892  -3.872
   52   HG23  THR   6          HG23      THR   6   6.400 -13.401  -2.957
   53    H    THR   7           HN       THR   7   2.701 -11.427  -3.560
   54    HA   THR   7           HA       THR   7   0.914  -9.359  -3.508
   55    HB   THR   7           HB       THR   7   0.183 -12.285  -3.557
   56    HG1  THR   7           HG1      THR   7   0.720 -11.295  -6.008
   57   HG21  THR   7          HG21      THR   7  -1.472 -11.499  -5.190
   58   HG22  THR   7          HG22      THR   7  -0.826  -9.865  -5.084
   59   HG23  THR   7          HG23      THR   7  -1.641 -10.584  -3.689
   60    H    ASP   8           HN       ASP   8   0.969 -12.239  -1.342
   61    HA   ASP   8           HA       ASP   8  -1.237 -11.288   0.190
   62    HB2  ASP   8           HB2      ASP   8  -0.894 -13.139   1.718
   63    HB3  ASP   8           HB1      ASP   8  -0.720 -13.707   0.070
   64    H    ASP   9           HN       ASP   9   2.149 -10.834   0.453
   65    HA   ASP   9           HA       ASP   9   2.219  -9.782   3.106
   66    HB2  ASP   9           HB2      ASP   9   4.025  -9.163   0.758
   67    HB3  ASP   9           HB1      ASP   9   4.318  -8.648   2.405
   68    H    LEU  10           HN       LEU  10   1.982  -8.343  -0.089
   69    HA   LEU  10           HA       LEU  10   1.748  -5.657   0.724
   70    HB2  LEU  10           HB2      LEU  10   2.344  -6.364  -1.559
   71    HB3  LEU  10           HB1      LEU  10   0.740  -7.024  -1.776
   72    HG   LEU  10           HG       LEU  10  -0.187  -4.726  -1.557
   73   HD11  LEU  10          HD11      LEU  10   1.596  -3.717  -0.257
   74   HD12  LEU  10          HD12      LEU  10   1.320  -2.819  -1.750
   75   HD13  LEU  10          HD13      LEU  10   2.707  -3.897  -1.615
   76   HD21  LEU  10          HD21      LEU  10   0.217  -5.709  -3.742
   77   HD22  LEU  10          HD22      LEU  10   1.877  -5.112  -3.720
   78   HD23  LEU  10          HD23      LEU  10   0.531  -3.975  -3.770
   79    H    ARG  11           HN       ARG  11  -0.590  -8.155  -0.059
   80    HA   ARG  11           HA       ARG  11  -3.013  -6.903   0.132
   81    HB2  ARG  11           HB2      ARG  11  -2.711  -9.277  -0.410
   82    HB3  ARG  11           HB1      ARG  11  -2.289  -9.605   1.263
   83    HG2  ARG  11           HG2      ARG  11  -4.560  -8.811   1.915
   84    HG3  ARG  11           HG1      ARG  11  -4.951  -8.704   0.196
   85    HD2  ARG  11           HD2      ARG  11  -5.753 -10.797   1.004
   86    HD3  ARG  11           HD1      ARG  11  -4.354 -11.106  -0.019
   87    HE   ARG  11           HE       ARG  11  -3.999 -10.936   2.885
   88   HH11  ARG  11          HH11      ARG  11  -3.851 -12.870  -0.095
   89   HH12  ARG  11          HH12      ARG  11  -3.242 -14.263   0.669
   90   HH21  ARG  11          HH21      ARG  11  -3.075 -12.869   3.937
   91   HH22  ARG  11          HH22      ARG  11  -2.796 -14.254   3.009
   92    H    ARG  12           HN       ARG  12  -1.400  -8.575   2.836
   93    HA   ARG  12           HA       ARG  12  -3.189  -7.638   4.780
   94    HB2  ARG  12           HB2      ARG  12  -1.821  -8.604   6.399
   95    HB3  ARG  12           HB1      ARG  12  -1.633  -9.595   4.964
   96    HG2  ARG  12           HG2      ARG  12   0.513  -8.796   4.522
   97    HG3  ARG  12           HG1      ARG  12   0.224  -7.423   5.610
   98    HD2  ARG  12           HD2      ARG  12   0.489 -10.317   6.454
   99    HD3  ARG  12           HD1      ARG  12   1.741  -9.086   6.641
  100    HE   ARG  12           HE       ARG  12  -0.594  -8.127   7.845
  101   HH11  ARG  12          HH11      ARG  12   1.950 -10.499   8.515
  102   HH12  ARG  12          HH12      ARG  12   1.512 -10.682  10.140
  103   HH21  ARG  12          HH21      ARG  12  -1.224  -8.404   9.972
  104   HH22  ARG  12          HH22      ARG  12  -0.376  -9.478  11.005
  105    H    ALA  13           HN       ALA  13  -0.179  -6.362   3.684
  106    HA   ALA  13           HA       ALA  13   0.104  -4.363   5.638
  107    HB1  ALA  13           HB1      ALA  13   1.084  -4.293   2.782
  108    HB2  ALA  13           HB2      ALA  13   1.939  -5.008   4.148
  109    HB3  ALA  13           HB3      ALA  13   1.655  -3.268   4.098
  110    H    LEU  14           HN       LEU  14  -1.474  -4.322   2.500
  111    HA   LEU  14           HA       LEU  14  -2.308  -1.633   2.690
  112    HB2  LEU  14           HB2      LEU  14  -3.349  -3.896   0.997
  113    HB3  LEU  14           HB1      LEU  14  -3.848  -2.226   0.836
  114    HG   LEU  14           HG       LEU  14  -1.087  -3.330   0.316
  115   HD11  LEU  14          HD11      LEU  14  -2.704  -3.886  -1.397
  116   HD12  LEU  14          HD12      LEU  14  -1.548  -2.694  -1.988
  117   HD13  LEU  14          HD13      LEU  14  -3.173  -2.192  -1.524
  118   HD21  LEU  14          HD21      LEU  14  -0.530  -1.080  -0.466
  119   HD22  LEU  14          HD22      LEU  14  -0.948  -1.078   1.247
  120   HD23  LEU  14          HD23      LEU  14  -2.113  -0.505   0.056
  121    H    VAL  15           HN       VAL  15  -4.127  -4.679   3.164
  122    HA   VAL  15           HA       VAL  15  -6.556  -3.320   3.638
  123    HB   VAL  15           HB       VAL  15  -6.468  -5.637   2.752
  124   HG11  VAL  15          HG11      VAL  15  -5.829  -6.461   5.570
  125   HG12  VAL  15          HG12      VAL  15  -4.790  -6.627   4.156
  126   HG13  VAL  15          HG13      VAL  15  -6.288  -7.550   4.259
  127   HG21  VAL  15          HG21      VAL  15  -8.450  -6.483   3.944
  128   HG22  VAL  15          HG22      VAL  15  -8.571  -4.762   3.574
  129   HG23  VAL  15          HG23      VAL  15  -8.179  -5.287   5.212
  130    H    GLU  16           HN       GLU  16  -4.170  -4.506   5.919
  131    HA   GLU  16           HA       GLU  16  -5.893  -4.191   8.179
  132    HB2  GLU  16           HB2      GLU  16  -2.876  -4.331   8.091
  133    HB3  GLU  16           HB1      GLU  16  -3.867  -4.493   9.534
  134    HG2  GLU  16           HG2      GLU  16  -4.819  -6.542   8.702
  135    HG3  GLU  16           HG1      GLU  16  -3.967  -6.351   7.172
  136    H    SER  17           HN       SER  17  -3.956  -2.041   6.339
  137    HA   SER  17           HA       SER  17  -3.871  -0.022   8.406
  138    HB2  SER  17           HB2      SER  17  -3.165   0.295   5.502
  139    HB3  SER  17           HB1      SER  17  -2.610   1.249   6.869
  140    HG   SER  17           HG       SER  17  -1.589  -1.045   5.900
  141    H    ALA  18           HN       ALA  18  -5.621  -0.736   5.427
  142    HA   ALA  18           HA       ALA  18  -6.919   1.803   5.258
  143    HB1  ALA  18           HB1      ALA  18  -7.567  -0.772   3.838
  144    HB2  ALA  18           HB2      ALA  18  -6.435   0.459   3.274
  145    HB3  ALA  18           HB3      ALA  18  -8.153   0.836   3.413
  146    H    GLY  19           HN       GLY  19  -7.856  -1.394   6.443
  147    HA2  GLY  19           HA2      GLY  19  -9.356  -1.513   8.305
  148    HA3  GLY  19           HA1      GLY  19 -10.166  -0.077   7.684
  149    H    GLU  20           HN       GLU  20 -12.021  -1.598   8.044
  150    HA   GLU  20           HA       GLU  20 -12.341  -3.304   5.708
  151    HB2  GLU  20           HB2      GLU  20 -14.065  -4.530   7.062
  152    HB3  GLU  20           HB1      GLU  20 -12.438  -4.649   7.706
  153    HG2  GLU  20           HG2      GLU  20 -13.026  -2.835   9.318
  154    HG3  GLU  20           HG1      GLU  20 -14.680  -2.920   8.730
  155    H    THR  21           HN       THR  21 -12.896  -1.511   4.456
  156    HA   THR  21           HA       THR  21 -15.082   0.197   5.167
  157    HB   THR  21           HB       THR  21 -13.813  -0.002   2.436
  158    HG1  THR  21           HG1      THR  21 -12.788   0.941   4.905
  159   HG21  THR  21          HG21      THR  21 -15.662   1.620   2.778
  160   HG22  THR  21          HG22      THR  21 -14.127   2.438   2.479
  161   HG23  THR  21          HG23      THR  21 -14.769   2.338   4.118
  162    H    ASP  22           HN       ASP  22 -16.124  -2.185   5.298
  163    HA   ASP  22           HA       ASP  22 -17.796  -3.579   4.784
  164    HB2  ASP  22           HB2      ASP  22 -19.119  -1.549   4.811
  165    HB3  ASP  22           HB1      ASP  22 -18.777  -1.275   3.106
  166    H    GLY  23           HN       GLY  23 -17.441  -2.074   1.585
  167    HA2  GLY  23           HA2      GLY  23 -17.232  -4.794   0.492
  168    HA3  GLY  23           HA1      GLY  23 -18.330  -3.607  -0.200
  169    H    THR  24           HN       THR  24 -14.960  -4.040   0.645
  170    HA   THR  24           HA       THR  24 -14.242  -3.063  -1.963
  171    HB   THR  24           HB       THR  24 -13.976  -1.068  -0.597
  172    HG1  THR  24           HG1      THR  24 -11.326  -1.545  -0.521
  173   HG21  THR  24          HG21      THR  24 -12.536  -0.957   1.407
  174   HG22  THR  24          HG22      THR  24 -12.282  -2.699   1.309
  175   HG23  THR  24          HG23      THR  24 -13.892  -2.062   1.646
  176    H    ASP  25           HN       ASP  25 -13.783  -5.136  -2.554
  177    HA   ASP  25           HA       ASP  25 -12.311  -6.802  -0.763
  178    HB2  ASP  25           HB2      ASP  25 -12.426  -8.603  -2.355
  179    HB3  ASP  25           HB1      ASP  25 -13.986  -7.809  -2.347
  180    H    LEU  26           HN       LEU  26 -10.441  -6.645  -0.338
  181    HA   LEU  26           HA       LEU  26  -8.431  -5.730  -2.306
  182    HB2  LEU  26           HB2      LEU  26  -9.086  -4.052  -0.580
  183    HB3  LEU  26           HB1      LEU  26  -8.611  -5.181   0.666
  184    HG   LEU  26           HG       LEU  26  -6.265  -5.005  -0.108
  185   HD11  LEU  26          HD11      LEU  26  -5.673  -3.210  -1.661
  186   HD12  LEU  26          HD12      LEU  26  -7.395  -2.908  -1.943
  187   HD13  LEU  26          HD13      LEU  26  -6.676  -4.442  -2.432
  188   HD21  LEU  26          HD21      LEU  26  -7.100  -3.601   1.693
  189   HD22  LEU  26          HD22      LEU  26  -7.607  -2.383   0.520
  190   HD23  LEU  26          HD23      LEU  26  -5.894  -2.748   0.732
  191    H    SER  27           HN       SER  27  -9.565  -8.303  -0.812
  192    HA   SER  27           HA       SER  27  -7.044  -9.275   0.220
  193    HB2  SER  27           HB2      SER  27  -9.077  -9.471   1.629
  194    HB3  SER  27           HB1      SER  27  -9.786 -10.525   0.405
  195    HG   SER  27           HG       SER  27  -7.706 -10.950   2.193
  196    H    GLY  28           HN       GLY  28  -5.966  -9.622  -1.712
  197    HA2  GLY  28           HA2      GLY  28  -5.269 -11.801  -2.690
  198    HA3  GLY  28           HA1      GLY  28  -6.948 -11.988  -3.167
  199    H    ASP  29           HN       ASP  29  -7.796 -10.361  -4.650
  200    HA   ASP  29           HA       ASP  29  -5.705  -9.688  -6.602
  201    HB2  ASP  29           HB2      ASP  29  -7.448 -11.309  -7.353
  202    HB3  ASP  29           HB1      ASP  29  -8.671 -10.074  -7.080
  203    H    PHE  30           HN       PHE  30  -5.255  -7.692  -6.797
  204    HA   PHE  30           HA       PHE  30  -7.122  -5.501  -6.596
  205    HB2  PHE  30           HB2      PHE  30  -6.210  -4.476  -4.526
  206    HB3  PHE  30           HB1      PHE  30  -7.032  -6.003  -4.229
  207    HD1  PHE  30           HD2      PHE  30  -3.795  -4.289  -4.281
  208    HD2  PHE  30           HD1      PHE  30  -5.781  -7.956  -3.472
  209    HE1  PHE  30           HE2      PHE  30  -1.805  -5.105  -3.095
  210    HE2  PHE  30           HE1      PHE  30  -3.792  -8.770  -2.288
  211    HZ   PHE  30           HZ       PHE  30  -1.788  -7.408  -2.171
  212    H    LEU  31           HN       LEU  31  -4.028  -6.735  -7.312
  213    HA   LEU  31           HA       LEU  31  -2.231  -4.734  -6.904
  214    HB2  LEU  31           HB2      LEU  31  -1.776  -7.074  -7.455
  215    HB3  LEU  31           HB1      LEU  31  -2.273  -6.778  -9.107
  216    HG   LEU  31           HG       LEU  31  -0.387  -5.215  -9.353
  217   HD11  LEU  31          HD11      LEU  31  -0.131  -4.565  -7.008
  218   HD12  LEU  31          HD12      LEU  31   1.383  -5.213  -7.643
  219   HD13  LEU  31          HD13      LEU  31   0.365  -6.208  -6.600
  220   HD21  LEU  31          HD21      LEU  31   0.315  -7.987  -8.414
  221   HD22  LEU  31          HD22      LEU  31   1.354  -6.947  -9.392
  222   HD23  LEU  31          HD23      LEU  31  -0.177  -7.534 -10.046
  223    H    ASP  32           HN       ASP  32  -4.467  -5.044  -9.620
  224    HA   ASP  32           HA       ASP  32  -3.116  -2.861 -11.048
  225    HB2  ASP  32           HB2      ASP  32  -5.410  -4.615 -11.959
  226    HB3  ASP  32           HB1      ASP  32  -4.549  -3.447 -12.944
  227    H    LEU  33           HN       LEU  33  -5.356  -3.011  -8.704
  228    HA   LEU  33           HA       LEU  33  -7.278  -1.231  -9.931
  229    HB2  LEU  33           HB2      LEU  33  -7.196  -2.602  -7.254
  230    HB3  LEU  33           HB1      LEU  33  -8.325  -1.302  -7.565
  231    HG   LEU  33           HG       LEU  33  -9.328  -2.648  -9.401
  232   HD11  LEU  33          HD11      LEU  33  -7.466  -4.050 -10.009
  233   HD12  LEU  33          HD12      LEU  33  -8.855  -5.042  -9.558
  234   HD13  LEU  33          HD13      LEU  33  -7.510  -4.842  -8.436
  235   HD21  LEU  33          HD21      LEU  33 -10.320  -2.664  -7.196
  236   HD22  LEU  33          HD22      LEU  33  -9.262  -3.985  -6.707
  237   HD23  LEU  33          HD23      LEU  33 -10.480  -4.246  -7.956
  238    H    ARG  34           HN       ARG  34  -7.703   0.816  -9.299
  239    HA   ARG  34           HA       ARG  34  -5.417   2.355  -8.442
  240    HB2  ARG  34           HB2      ARG  34  -8.281   3.208  -8.941
  241    HB3  ARG  34           HB1      ARG  34  -6.908   4.286  -8.766
  242    HG2  ARG  34           HG2      ARG  34  -7.138   2.241 -10.965
  243    HG3  ARG  34           HG1      ARG  34  -7.709   3.899 -11.112
  244    HD2  ARG  34           HD2      ARG  34  -4.870   3.121 -10.459
  245    HD3  ARG  34           HD1      ARG  34  -5.448   3.499 -12.079
  246    HE   ARG  34           HE       ARG  34  -5.900   5.538 -10.053
  247   HH11  ARG  34          HH11      ARG  34  -3.874   4.465 -12.810
  248   HH12  ARG  34          HH12      ARG  34  -3.118   5.974 -12.995
  249   HH21  ARG  34          HH21      ARG  34  -4.856   7.566 -10.324
  250   HH22  ARG  34          HH22      ARG  34  -3.659   7.779 -11.524
  251    H    PHE  35           HN       PHE  35  -4.978   2.959  -6.380
  252    HA   PHE  35           HA       PHE  35  -6.275   2.061  -4.090
  253    HB2  PHE  35           HB2      PHE  35  -4.492   4.449  -4.485
  254    HB3  PHE  35           HB1      PHE  35  -5.208   4.106  -2.919
  255    HD1  PHE  35           HD1      PHE  35  -4.939   1.344  -2.480
  256    HD2  PHE  35           HD2      PHE  35  -2.293   3.935  -4.539
  257    HE1  PHE  35           HE1      PHE  35  -3.058  -0.124  -1.895
  258    HE2  PHE  35           HE2      PHE  35  -0.407   2.472  -3.972
  259    HZ   PHE  35           HZ       PHE  35  -0.784   0.443  -2.646
  260    H    GLU  36           HN       GLU  36  -6.809   4.907  -5.884
  261    HA   GLU  36           HA       GLU  36  -8.359   6.571  -4.354
  262    HB2  GLU  36           HB2      GLU  36  -8.754   5.899  -7.261
  263    HB3  GLU  36           HB1      GLU  36  -9.221   7.391  -6.459
  264    HG2  GLU  36           HG2      GLU  36  -7.001   8.095  -6.232
  265    HG3  GLU  36           HG1      GLU  36  -6.354   6.493  -6.568
  266    H    ASP  37           HN       ASP  37  -9.343   3.697  -6.179
  267    HA   ASP  37           HA       ASP  37 -12.136   4.152  -5.525
  268    HB2  ASP  37           HB2      ASP  37 -11.634   3.490  -7.804
  269    HB3  ASP  37           HB1      ASP  37 -10.871   2.009  -7.226
  270    H    ILE  38           HN       ILE  38  -9.519   2.201  -4.440
  271    HA   ILE  38           HA       ILE  38 -11.369   0.300  -3.246
  272    HB   ILE  38           HB       ILE  38  -9.316  -1.030  -2.644
  273   HG12  ILE  38          HG12      ILE  38  -7.960   1.038  -4.403
  274   HG13  ILE  38          HG11      ILE  38  -7.664   0.787  -2.690
  275   HG21  ILE  38          HG21      ILE  38  -9.793  -0.409  -5.549
  276   HG22  ILE  38          HG22      ILE  38 -10.681  -1.568  -4.561
  277   HG23  ILE  38          HG23      ILE  38  -8.978  -1.849  -4.933
  278   HD11  ILE  38          HD11      ILE  38  -7.051  -1.177  -4.895
  279   HD12  ILE  38          HD12      ILE  38  -6.716  -1.411  -3.179
  280   HD13  ILE  38          HD13      ILE  38  -5.889  -0.139  -4.072
  281    H    GLY  39           HN       GLY  39 -11.500   2.740  -2.154
  282    HA2  GLY  39           HA2      GLY  39 -12.066   3.272   0.067
  283    HA3  GLY  39           HA1      GLY  39 -10.988   2.003   0.615
  284    H    TYR  40           HN       TYR  40  -8.904   3.328  -1.254
  285    HA   TYR  40           HA       TYR  40  -7.853   4.930   0.901
  286    HB2  TYR  40           HB2      TYR  40  -6.637   4.232  -1.763
  287    HB3  TYR  40           HB1      TYR  40  -5.820   5.119  -0.481
  288    HD1  TYR  40           HD1      TYR  40  -7.296   1.888  -1.396
  289    HD2  TYR  40           HD2      TYR  40  -4.804   3.973   1.319
  290    HE1  TYR  40           HE1      TYR  40  -6.559  -0.240  -0.452
  291    HE2  TYR  40           HE2      TYR  40  -4.056   1.850   2.275
  292    HH   TYR  40           HH       TYR  40  -4.687  -1.121   0.778
  293    H    ASP  41           HN       ASP  41  -8.885   6.756   1.037
  294    HA   ASP  41           HA       ASP  41  -9.322   8.400  -1.291
  295    HB2  ASP  41           HB2      ASP  41 -10.964   8.347   0.543
  296    HB3  ASP  41           HB1      ASP  41  -9.736   8.922   1.656
  297    H    SER  42           HN       SER  42  -7.451   8.431   1.615
  298    HA   SER  42           HA       SER  42  -5.007   9.270   0.541
  299    HB2  SER  42           HB2      SER  42  -4.844  11.601   1.305
  300    HB3  SER  42           HB1      SER  42  -6.142  11.434   0.115
  301    H    LEU  43           HN       LEU  43  -7.084   9.798   3.333
  302    HA   LEU  43           HA       LEU  43  -5.134   9.747   5.326
  303    HB2  LEU  43           HB2      LEU  43  -7.468  10.565   5.583
  304    HB3  LEU  43           HB1      LEU  43  -8.047   8.927   5.489
  305    HG   LEU  43           HG       LEU  43  -8.045   9.997   7.770
  306   HD11  LEU  43          HD11      LEU  43  -8.235   7.605   7.551
  307   HD12  LEU  43          HD12      LEU  43  -7.268   8.026   8.965
  308   HD13  LEU  43          HD13      LEU  43  -6.479   7.448   7.496
  309   HD21  LEU  43          HD21      LEU  43  -5.929  10.060   9.008
  310   HD22  LEU  43          HD22      LEU  43  -5.928  11.172   7.639
  311   HD23  LEU  43          HD23      LEU  43  -5.061   9.638   7.529
  312    H    ALA  44           HN       ALA  44  -7.092   7.083   4.050
  313    HA   ALA  44           HA       ALA  44  -5.948   5.067   5.678
  314    HB1  ALA  44           HB1      ALA  44  -7.146   4.751   2.918
  315    HB2  ALA  44           HB2      ALA  44  -8.043   4.700   4.441
  316    HB3  ALA  44           HB3      ALA  44  -6.828   3.463   4.080
  317    H    LEU  45           HN       LEU  45  -5.022   6.505   2.687
  318    HA   LEU  45           HA       LEU  45  -3.079   4.560   1.962
  319    HB2  LEU  45           HB2      LEU  45  -4.157   6.002   0.308
  320    HB3  LEU  45           HB1      LEU  45  -3.425   7.411   1.042
  321    HG   LEU  45           HG       LEU  45  -1.196   6.593   0.374
  322   HD11  LEU  45          HD11      LEU  45  -1.656   4.194   0.375
  323   HD12  LEU  45          HD12      LEU  45  -1.003   4.715  -1.179
  324   HD13  LEU  45          HD13      LEU  45  -2.729   4.391  -1.011
  325   HD21  LEU  45          HD21      LEU  45  -3.179   6.710  -1.886
  326   HD22  LEU  45          HD22      LEU  45  -1.444   7.038  -1.997
  327   HD23  LEU  45          HD23      LEU  45  -2.497   8.100  -1.048
  328    H    MET  46           HN       MET  46  -2.932   7.710   3.580
  329    HA   MET  46           HA       MET  46  -0.121   7.696   3.776
  330    HB2  MET  46           HB2      MET  46  -0.291   9.590   5.304
  331    HB3  MET  46           HB1      MET  46  -1.394   9.802   3.965
  332    HG2  MET  46           HG2      MET  46  -2.613  10.546   5.817
  333    HG3  MET  46           HG1      MET  46  -3.195   8.914   5.559
  334    HE1  MET  46           HE1      MET  46  -0.187  10.019   8.898
  335    HE2  MET  46           HE2      MET  46  -0.819  11.191   7.742
  336    HE3  MET  46           HE3      MET  46   0.258   9.906   7.194
  337    H    GLU  47           HN       GLU  47  -2.622   6.533   5.990
  338    HA   GLU  47           HA       GLU  47  -0.863   5.793   8.037
  339    HB2  GLU  47           HB2      GLU  47  -3.540   4.739   7.234
  340    HB3  GLU  47           HB1      GLU  47  -2.683   4.093   8.643
  341    HG2  GLU  47           HG2      GLU  47  -2.635   6.542   9.409
  342    HG3  GLU  47           HG1      GLU  47  -3.855   6.804   8.165
  343    H    THR  48           HN       THR  48  -1.939   4.091   5.186
  344    HA   THR  48           HA       THR  48  -0.715   1.623   5.683
  345    HB   THR  48           HB       THR  48  -1.152   2.992   3.004
  346    HG1  THR  48           HG1      THR  48  -3.119   2.779   4.124
  347   HG21  THR  48          HG21      THR  48   0.364   1.054   2.880
  348   HG22  THR  48          HG22      THR  48  -1.181   0.702   2.105
  349   HG23  THR  48          HG23      THR  48  -0.836   0.065   3.713
  350    H    ALA  49           HN       ALA  49   0.449   4.412   3.781
  351    HA   ALA  49           HA       ALA  49   2.970   3.485   3.163
  352    HB1  ALA  49           HB1      ALA  49   1.972   5.476   2.156
  353    HB2  ALA  49           HB2      ALA  49   3.578   5.828   2.789
  354    HB3  ALA  49           HB3      ALA  49   2.145   6.343   3.680
  355    H    ALA  50           HN       ALA  50   1.906   5.316   6.025
  356    HA   ALA  50           HA       ALA  50   4.419   5.653   7.227
  357    HB1  ALA  50           HB1      ALA  50   1.721   5.448   8.562
  358    HB2  ALA  50           HB2      ALA  50   2.421   6.917   7.887
  359    HB3  ALA  50           HB3      ALA  50   3.181   6.135   9.274
  360    H    ARG  51           HN       ARG  51   1.995   3.096   7.591
  361    HA   ARG  51           HA       ARG  51   3.369   1.605   9.552
  362    HB2  ARG  51           HB2      ARG  51   0.998   1.237   9.105
  363    HB3  ARG  51           HB1      ARG  51   1.365   0.696   7.475
  364    HG2  ARG  51           HG2      ARG  51   2.619  -1.208   8.427
  365    HG3  ARG  51           HG1      ARG  51   2.134  -0.683  10.039
  366    HD2  ARG  51           HD2      ARG  51  -0.192  -0.996   9.475
  367    HD3  ARG  51           HD1      ARG  51   0.238  -1.408   7.816
  368    HE   ARG  51           HE       ARG  51   1.348  -3.044   9.952
  369   HH11  ARG  51          HH11      ARG  51  -0.976  -2.716   7.311
  370   HH12  ARG  51          HH12      ARG  51  -1.404  -4.380   7.278
  371   HH21  ARG  51          HH21      ARG  51   0.704  -5.363   9.937
  372   HH22  ARG  51          HH22      ARG  51  -0.475  -5.858   8.809
  373    H    LEU  52           HN       LEU  52   3.446   1.577   6.044
  374    HA   LEU  52           HA       LEU  52   5.026  -0.710   5.634
  375    HB2  LEU  52           HB2      LEU  52   4.997   1.842   4.029
  376    HB3  LEU  52           HB1      LEU  52   5.646   0.310   3.489
  377    HG   LEU  52           HG       LEU  52   2.747   0.831   4.115
  378   HD11  LEU  52          HD11      LEU  52   4.167   0.596   1.480
  379   HD12  LEU  52          HD12      LEU  52   3.492   2.069   2.174
  380   HD13  LEU  52          HD13      LEU  52   2.425   0.743   1.709
  381   HD21  LEU  52          HD21      LEU  52   3.390  -1.500   4.450
  382   HD22  LEU  52          HD22      LEU  52   4.107  -1.541   2.840
  383   HD23  LEU  52          HD23      LEU  52   2.367  -1.324   3.025
  384    H    GLU  53           HN       GLU  53   5.919   2.668   6.099
  385    HA   GLU  53           HA       GLU  53   8.682   2.346   5.872
  386    HB2  GLU  53           HB2      GLU  53   7.165   4.358   7.526
  387    HB3  GLU  53           HB1      GLU  53   8.860   4.468   7.087
  388    HG2  GLU  53           HG2      GLU  53   8.186   4.512   4.710
  389    HG3  GLU  53           HG1      GLU  53   6.501   4.561   5.235
  390    H    SER  54           HN       SER  54   6.580   2.323   8.680
  391    HA   SER  54           HA       SER  54   8.517   1.937  10.647
  392    HB2  SER  54           HB2      SER  54   6.271   2.730  11.140
  393    HB3  SER  54           HB1      SER  54   5.578   1.213  10.585
  394    HG   SER  54           HG       SER  54   7.439   1.363  12.713
  395    H    ARG  55           HN       ARG  55   6.398  -0.475   9.063
  396    HA   ARG  55           HA       ARG  55   7.426  -2.657  10.532
  397    HB2  ARG  55           HB2      ARG  55   5.161  -2.563   9.453
  398    HB3  ARG  55           HB1      ARG  55   5.950  -2.809   7.902
  399    HG2  ARG  55           HG2      ARG  55   6.841  -4.957   8.725
  400    HG3  ARG  55           HG1      ARG  55   5.972  -4.715  10.237
  401    HD2  ARG  55           HD2      ARG  55   3.849  -4.617   8.903
  402    HD3  ARG  55           HD1      ARG  55   4.792  -5.066   7.481
  403    HE   ARG  55           HE       ARG  55   4.708  -6.743   9.889
  404   HH11  ARG  55          HH11      ARG  55   4.278  -6.493   6.331
  405   HH12  ARG  55          HH12      ARG  55   4.051  -8.161   6.152
  406   HH21  ARG  55          HH21      ARG  55   4.367  -9.037   9.541
  407   HH22  ARG  55          HH22      ARG  55   4.082  -9.619   7.970
  408    H    TYR  56           HN       TYR  56   8.289  -1.377   7.326
  409    HA   TYR  56           HA       TYR  56  10.060  -3.692   7.006
  410    HB2  TYR  56           HB2      TYR  56   9.198  -1.731   4.879
  411    HB3  TYR  56           HB1      TYR  56  10.086  -3.234   4.635
  412    HD1  TYR  56           HD2      TYR  56   8.881  -5.367   5.645
  413    HD2  TYR  56           HD1      TYR  56   6.904  -1.773   4.546
  414    HE1  TYR  56           HE2      TYR  56   6.791  -6.613   5.376
  415    HE2  TYR  56           HE1      TYR  56   4.801  -3.012   4.272
  416    HH   TYR  56           HH       TYR  56   4.365  -6.166   5.406
  417    H    GLY  57           HN       GLY  57  10.277  -0.440   7.872
  418    HA2  GLY  57           HA2      GLY  57  12.178   0.713   8.466
  419    HA3  GLY  57           HA1      GLY  57  13.148  -0.600   7.815
  420    H    VAL  58           HN       VAL  58  10.675   1.157   6.084
  421    HA   VAL  58           HA       VAL  58  12.777   2.024   4.250
  422    HB   VAL  58           HB       VAL  58  11.126   2.160   2.440
  423   HG11  VAL  58          HG11      VAL  58  11.081  -0.499   3.850
  424   HG12  VAL  58          HG12      VAL  58  12.314   0.075   2.726
  425   HG13  VAL  58          HG13      VAL  58  10.677  -0.236   2.154
  426   HG21  VAL  58          HG21      VAL  58   9.140   1.089   4.454
  427   HG22  VAL  58          HG22      VAL  58   8.843   1.282   2.727
  428   HG23  VAL  58          HG23      VAL  58   9.126   2.700   3.737
  429    H    SER  59           HN       SER  59  12.072   4.070   2.913
  430    HA   SER  59           HA       SER  59  10.838   6.004   4.726
  431    HB2  SER  59           HB2      SER  59  13.438   6.418   3.225
  432    HB3  SER  59           HB1      SER  59  12.651   7.573   4.301
  433    HG   SER  59           HG       SER  59  13.700   5.030   5.001
  434    H    ILE  60           HN       ILE  60   9.103   6.490   3.594
  435    HA   ILE  60           HA       ILE  60   9.215   6.681   0.667
  436    HB   ILE  60           HB       ILE  60   6.782   6.559   2.477
  437   HG12  ILE  60          HG12      ILE  60   8.030   4.368   0.791
  438   HG13  ILE  60          HG11      ILE  60   8.122   4.476   2.544
  439   HG21  ILE  60          HG21      ILE  60   6.331   7.663   0.347
  440   HG22  ILE  60          HG22      ILE  60   5.546   6.085   0.407
  441   HG23  ILE  60          HG23      ILE  60   7.029   6.295  -0.525
  442   HD11  ILE  60          HD11      ILE  60   5.699   4.202   2.688
  443   HD12  ILE  60          HD12      ILE  60   6.449   2.856   1.831
  444   HD13  ILE  60          HD13      ILE  60   5.604   4.114   0.929
  445    HA   PRO  61           HA       PRO  61   9.081  11.183   1.450
  446    HB2  PRO  61           HB2      PRO  61   9.387  11.244  -1.493
  447    HB3  PRO  61           HB1      PRO  61  10.401  11.991  -0.254
  448    HG2  PRO  61           HG2      PRO  61  11.263   9.879  -1.640
  449    HG3  PRO  61           HG1      PRO  61  11.644  10.065   0.081
  450    HD2  PRO  61           HD2      PRO  61   9.554   8.356  -1.219
  451    HD3  PRO  61           HD1      PRO  61  10.676   7.950   0.099
  452    H    ASP  62           HN       ASP  62   7.583  12.847   0.780
  453    HA   ASP  62           HA       ASP  62   4.944  11.892   0.498
  454    HB2  ASP  62           HB2      ASP  62   4.143  14.142   0.546
  455    HB3  ASP  62           HB1      ASP  62   5.542  14.087   1.605
  456    H    ASP  63           HN       ASP  63   7.194  12.908  -1.930
  457    HA   ASP  63           HA       ASP  63   5.304  13.243  -4.042
  458    HB2  ASP  63           HB2      ASP  63   7.486  14.163  -4.393
  459    HB3  ASP  63           HB1      ASP  63   8.263  12.620  -4.060
  460    H    VAL  64           HN       VAL  64   7.045  10.562  -2.735
  461    HA   VAL  64           HA       VAL  64   6.306   8.756  -4.828
  462    HB   VAL  64           HB       VAL  64   7.457   8.165  -2.085
  463   HG11  VAL  64          HG11      VAL  64   6.357   6.234  -3.077
  464   HG12  VAL  64          HG12      VAL  64   8.108   6.020  -3.071
  465   HG13  VAL  64          HG13      VAL  64   7.278   6.458  -4.564
  466   HG21  VAL  64          HG21      VAL  64   8.819   8.457  -4.762
  467   HG22  VAL  64          HG22      VAL  64   9.600   7.965  -3.258
  468   HG23  VAL  64          HG23      VAL  64   8.929   9.590  -3.414
  469    H    ALA  65           HN       ALA  65   5.367   9.307  -1.451
  470    HA   ALA  65           HA       ALA  65   3.373   7.345  -1.279
  471    HB1  ALA  65           HB1      ALA  65   4.301   8.515   0.670
  472    HB2  ALA  65           HB2      ALA  65   2.539   8.596   0.643
  473    HB3  ALA  65           HB3      ALA  65   3.493   9.999   0.158
  474    H    GLY  66           HN       GLY  66   3.322  10.547  -2.664
  475    HA2  GLY  66           HA2      GLY  66   0.449  10.498  -2.991
  476    HA3  GLY  66           HA1      GLY  66   1.539  11.779  -3.496
  477    H    ARG  67           HN       ARG  67   3.107   9.306  -4.771
  478    HA   ARG  67           HA       ARG  67   1.613   9.569  -7.285
  479    HB2  ARG  67           HB2      ARG  67   3.606   9.111  -8.499
  480    HB3  ARG  67           HB1      ARG  67   4.029  10.267  -7.251
  481    HG2  ARG  67           HG2      ARG  67   4.919   8.379  -5.897
  482    HG3  ARG  67           HG1      ARG  67   4.612   7.316  -7.263
  483    HD2  ARG  67           HD2      ARG  67   6.046   8.800  -8.662
  484    HD3  ARG  67           HD1      ARG  67   6.461   9.695  -7.203
  485    HE   ARG  67           HE       ARG  67   6.912   6.834  -7.179
  486   HH11  ARG  67          HH11      ARG  67   8.367  10.114  -7.242
  487   HH12  ARG  67          HH12      ARG  67   9.959   9.484  -7.317
  488   HH21  ARG  67          HH21      ARG  67   9.215   6.078  -7.204
  489   HH22  ARG  67          HH22      ARG  67  10.424   7.280  -7.283
  490    H    VAL  68           HN       VAL  68   2.054   7.359  -4.838
  491    HA   VAL  68           HA       VAL  68   1.856   5.117  -6.615
  492    HB   VAL  68           HB       VAL  68   1.711   3.681  -4.528
  493   HG11  VAL  68          HG11      VAL  68   4.075   3.939  -3.950
  494   HG12  VAL  68          HG12      VAL  68   4.101   5.491  -4.785
  495   HG13  VAL  68          HG13      VAL  68   3.803   4.008  -5.691
  496   HG21  VAL  68          HG21      VAL  68   0.868   5.344  -2.935
  497   HG22  VAL  68          HG22      VAL  68   2.368   6.272  -3.127
  498   HG23  VAL  68          HG23      VAL  68   2.414   4.658  -2.417
  499    H    ASP  69           HN       ASP  69   0.176   5.407  -7.665
  500    HA   ASP  69           HA       ASP  69  -2.466   5.835  -6.558
  501    HB2  ASP  69           HB2      ASP  69  -3.089   5.727  -9.018
  502    HB3  ASP  69           HB1      ASP  69  -1.997   7.025  -8.543
  503    H    THR  70           HN       THR  70  -0.544   3.195  -7.504
  504    HA   THR  70           HA       THR  70  -2.838   1.399  -7.296
  505    HB   THR  70           HB       THR  70  -1.523   0.006  -9.056
  506    HG1  THR  70           HG1      THR  70  -0.724   2.581  -9.880
  507   HG21  THR  70          HG21      THR  70  -3.749   0.952  -9.485
  508   HG22  THR  70          HG22      THR  70  -2.729   1.091 -10.915
  509   HG23  THR  70          HG23      THR  70  -3.014   2.503  -9.895
  510    HA   PRO  71           HA       PRO  71  -0.280  -0.884  -4.423
  511    HB2  PRO  71           HB2      PRO  71  -1.352  -3.283  -5.839
  512    HB3  PRO  71           HB1      PRO  71  -1.346  -2.917  -4.109
  513    HG2  PRO  71           HG2      PRO  71  -3.586  -2.701  -5.491
  514    HG3  PRO  71           HG1      PRO  71  -3.163  -1.476  -4.278
  515    HD2  PRO  71           HD2      PRO  71  -2.951  -1.346  -7.256
  516    HD3  PRO  71           HD1      PRO  71  -3.473  -0.098  -6.104
  517    H    ARG  72           HN       ARG  72  -0.422  -1.751  -7.796
  518    HA   ARG  72           HA       ARG  72   1.812  -3.253  -8.284
  519    HB2  ARG  72           HB2      ARG  72   0.138  -2.532  -9.959
  520    HB3  ARG  72           HB1      ARG  72   0.780  -0.902  -9.891
  521    HG2  ARG  72           HG2      ARG  72   2.951  -1.818 -10.724
  522    HG3  ARG  72           HG1      ARG  72   2.129  -3.362 -10.964
  523    HD2  ARG  72           HD2      ARG  72   1.356  -0.733 -12.201
  524    HD3  ARG  72           HD1      ARG  72   2.213  -2.028 -13.026
  525    HE   ARG  72           HE       ARG  72   0.071  -3.359 -12.407
  526   HH11  ARG  72          HH11      ARG  72   0.141   0.081 -13.381
  527   HH12  ARG  72          HH12      ARG  72  -1.341   0.037 -14.185
  528   HH21  ARG  72          HH21      ARG  72  -2.037  -3.395 -13.565
  529   HH22  ARG  72          HH22      ARG  72  -2.572  -1.970 -14.342
  530    H    GLU  73           HN       GLU  73   1.668   0.316  -8.406
  531    HA   GLU  73           HA       GLU  73   4.455   0.709  -8.544
  532    HB2  GLU  73           HB2      GLU  73   2.163   2.556  -7.985
  533    HB3  GLU  73           HB1      GLU  73   3.833   3.108  -8.003
  534    HG2  GLU  73           HG2      GLU  73   2.420   1.761 -10.286
  535    HG3  GLU  73           HG1      GLU  73   2.710   3.496 -10.129
  536    H    LEU  74           HN       LEU  74   2.216   0.671  -5.866
  537    HA   LEU  74           HA       LEU  74   4.042   1.739  -3.994
  538    HB2  LEU  74           HB2      LEU  74   1.558   1.663  -3.666
  539    HB3  LEU  74           HB1      LEU  74   1.661  -0.069  -3.469
  540    HG   LEU  74           HG       LEU  74   1.365   1.298  -1.329
  541   HD11  LEU  74          HD11      LEU  74   2.084  -1.011  -1.253
  542   HD12  LEU  74          HD12      LEU  74   2.884  -0.044  -0.012
  543   HD13  LEU  74          HD13      LEU  74   3.757  -0.505  -1.472
  544   HD21  LEU  74          HD21      LEU  74   3.365   2.336  -0.385
  545   HD22  LEU  74          HD22      LEU  74   2.902   3.117  -1.898
  546   HD23  LEU  74          HD23      LEU  74   4.252   1.990  -1.869
  547    H    LEU  75           HN       LEU  75   3.190  -1.584  -4.854
  548    HA   LEU  75           HA       LEU  75   4.881  -2.993  -3.152
  549    HB2  LEU  75           HB2      LEU  75   3.103  -3.953  -4.605
  550    HB3  LEU  75           HB1      LEU  75   4.113  -3.652  -5.999
  551    HG   LEU  75           HG       LEU  75   5.786  -5.238  -5.091
  552   HD11  LEU  75          HD11      LEU  75   5.134  -6.693  -3.246
  553   HD12  LEU  75          HD12      LEU  75   3.668  -5.744  -3.013
  554   HD13  LEU  75          HD13      LEU  75   5.249  -5.010  -2.740
  555   HD21  LEU  75          HD21      LEU  75   4.117  -5.978  -6.709
  556   HD22  LEU  75          HD22      LEU  75   2.993  -6.331  -5.397
  557   HD23  LEU  75          HD23      LEU  75   4.487  -7.257  -5.552
  558    H    ASP  76           HN       ASP  76   5.388  -1.618  -6.329
  559    HA   ASP  76           HA       ASP  76   7.977  -2.454  -6.863
  560    HB2  ASP  76           HB2      ASP  76   6.740  -1.433  -8.618
  561    HB3  ASP  76           HB1      ASP  76   6.511   0.046  -7.689
  562    H    LEU  77           HN       LEU  77   6.901   0.521  -5.215
  563    HA   LEU  77           HA       LEU  77   9.485   1.507  -4.797
  564    HB2  LEU  77           HB2      LEU  77   7.445   2.895  -4.667
  565    HB3  LEU  77           HB1      LEU  77   6.948   2.048  -3.227
  566    HG   LEU  77           HG       LEU  77   7.864   4.369  -2.909
  567   HD11  LEU  77          HD11      LEU  77   7.711   2.880  -1.008
  568   HD12  LEU  77          HD12      LEU  77   9.162   3.875  -0.898
  569   HD13  LEU  77          HD13      LEU  77   9.286   2.189  -1.399
  570   HD21  LEU  77          HD21      LEU  77  10.302   4.664  -2.888
  571   HD22  LEU  77          HD22      LEU  77   9.688   4.296  -4.503
  572   HD23  LEU  77          HD23      LEU  77  10.490   3.043  -3.558
  573    H    ILE  78           HN       ILE  78   7.425  -0.560  -2.823
  574    HA   ILE  78           HA       ILE  78   9.134  -0.556  -0.577
  575    HB   ILE  78           HB       ILE  78   7.115  -2.664  -1.414
  576   HG12  ILE  78          HG12      ILE  78   6.090  -0.475  -1.066
  577   HG13  ILE  78          HG11      ILE  78   5.632  -1.573   0.228
  578   HG21  ILE  78          HG21      ILE  78   7.153  -3.378   0.949
  579   HG22  ILE  78          HG22      ILE  78   8.463  -2.237   1.258
  580   HG23  ILE  78          HG23      ILE  78   8.719  -3.595   0.167
  581   HD11  ILE  78          HD11      ILE  78   7.277  -0.500   1.704
  582   HD12  ILE  78          HD12      ILE  78   6.102   0.658   1.084
  583   HD13  ILE  78          HD13      ILE  78   7.723   0.593   0.396
  584    H    ASN  79           HN       ASN  79   8.799  -2.907  -3.241
  585    HA   ASN  79           HA       ASN  79  10.835  -4.628  -2.359
  586    HB2  ASN  79           HB2      ASN  79   9.718  -4.154  -5.120
  587    HB3  ASN  79           HB1      ASN  79  10.975  -5.349  -4.807
  588   HD21  ASN  79          HD21      ASN  79   8.237  -5.701  -5.746
  589   HD22  ASN  79          HD22      ASN  79   7.500  -6.782  -4.609
  590    H    GLY  80           HN       GLY  80  10.985  -1.762  -4.360
  591    HA2  GLY  80           HA2      GLY  80  13.736  -2.043  -5.030
  592    HA3  GLY  80           HA1      GLY  80  12.771  -0.577  -5.171
  593    H    ALA  81           HN       ALA  81  11.991  -0.417  -2.434
  594    HA   ALA  81           HA       ALA  81  14.276   0.903  -1.379
  595    HB1  ALA  81           HB1      ALA  81  11.999   1.726  -1.002
  596    HB2  ALA  81           HB2      ALA  81  12.857   1.455   0.514
  597    HB3  ALA  81           HB3      ALA  81  11.648   0.293  -0.036
  598    H    LEU  82           HN       LEU  82  12.662  -2.150  -0.690
  599    HA   LEU  82           HA       LEU  82  13.958  -2.831   1.677
  600    HB2  LEU  82           HB2      LEU  82  12.925  -4.616  -0.517
  601    HB3  LEU  82           HB1      LEU  82  13.508  -5.219   1.023
  602    HG   LEU  82           HG       LEU  82  11.150  -3.371   0.658
  603   HD11  LEU  82          HD11      LEU  82   9.799  -5.302   1.294
  604   HD12  LEU  82          HD12      LEU  82  11.250  -6.309   1.313
  605   HD13  LEU  82          HD13      LEU  82  10.690  -5.597  -0.199
  606   HD21  LEU  82          HD21      LEU  82  12.280  -3.030   2.787
  607   HD22  LEU  82          HD22      LEU  82  12.214  -4.764   3.113
  608   HD23  LEU  82          HD23      LEU  82  10.724  -3.826   3.024
  609    H    ALA  83           HN       ALA  83  15.090  -3.090  -1.601
  610    HA   ALA  83           HA       ALA  83  17.311  -4.749  -1.187
  611    HB1  ALA  83           HB1      ALA  83  16.455  -4.158  -3.409
  612    HB2  ALA  83           HB2      ALA  83  18.176  -3.795  -3.271
  613    HB3  ALA  83           HB3      ALA  83  16.990  -2.496  -3.173
  614    H    GLU  84           HN       GLU  84  16.780  -1.383  -0.507
  615    HA   GLU  84           HA       GLU  84  19.600  -0.972   0.197
  616    HB2  GLU  84           HB2      GLU  84  17.387   0.982  -0.377
  617    HB3  GLU  84           HB1      GLU  84  19.006   1.432   0.143
  618    HG2  GLU  84           HG2      GLU  84  19.951   0.497  -1.854
  619    HG3  GLU  84           HG1      GLU  84  18.367  -0.097  -2.357
  620    H    ALA  85           HN       ALA  85  17.080  -2.123   1.709
  621    HA   ALA  85           HA       ALA  85  16.954  -0.383   4.004
  622    HB1  ALA  85           HB1      ALA  85  15.546  -2.135   4.998
  623    HB2  ALA  85           HB2      ALA  85  15.941  -3.215   3.661
  624    HB3  ALA  85           HB3      ALA  85  15.007  -1.749   3.363
  625    H    ALA  86           HN       ALA  86  19.076  -2.662   2.855
  626    HA   ALA  86           HA       ALA  86  20.474  -2.726   5.393
  627    HB1  ALA  86           HB1      ALA  86  20.030  -5.138   3.608
  628    HB2  ALA  86           HB2      ALA  86  19.339  -4.904   5.214
  629    HB3  ALA  86           HB3      ALA  86  21.083  -5.091   5.025
  630    H28  SXH  87          H28B      SXH  87  -4.535  12.120   3.587
  631   H28A  SXH  87          H28A      SXH  87  -5.499  13.162   4.629
  632    H30  SXH  87          H30C      SXH  87  -1.923  13.574   5.573
  633   H30A  SXH  87          H30A      SXH  87  -2.573  12.114   4.824
  634   H30B  SXH  87          H30B      SXH  87  -3.480  12.930   6.099
  635    H31  SXH  87          H31A      SXH  87  -2.328  13.121   2.613
  636   H31A  SXH  87          H31C      SXH  87  -3.132  14.644   2.224
  637   H31B  SXH  87          H31B      SXH  87  -1.724  14.636   3.286
  638    H32  SXH  87          H32A      SXH  87  -4.763  15.271   5.476
  639   HO33  SXH  87          H33A      SXH  87  -3.561  16.814   3.656
  640   HN36  SXH  87          H36A      SXH  87  -3.101  15.094   7.100
  641    H37  SXH  87          H37A      SXH  87  -0.710  16.840   6.843
  642   H37A  SXH  87          H37B      SXH  87  -1.900  17.201   8.073
  643    H38  SXH  87          H38A      SXH  87  -0.080  16.032   9.061
  644   H38A  SXH  87          H38B      SXH  87  -1.536  15.026   9.141
  645   HN41  SXH  87          H41A      SXH  87   0.058  15.275   6.162
  646    H42  SXH  87          H42A      SXH  87   2.126  13.392   6.209
  647   H42A  SXH  87          H42B      SXH  87   0.630  12.527   5.919
  648    H43  SXH  87          H43A      SXH  87   1.774  14.685   4.162
  649   H43A  SXH  87          H43B      SXH  87   0.129  14.073   4.062
  650    H2   SXH  87           H2A      SXH  87   1.750  11.219   1.084
  651    H2A  SXH  87           H2B      SXH  87   2.538  12.453   0.098
  652    H3   SXH  87           H3A      SXH  87   0.586  11.609  -1.053
  653    H3A  SXH  87           H3B      SXH  87   0.310  13.286  -0.579
  654    H4   SXH  87           H4B      SXH  87  -0.734  10.840   0.852
  655    H4A  SXH  87           H4A      SXH  87  -0.955  12.504   1.389
  656    H5   SXH  87           H5A      SXH  87  -2.183  12.991  -0.714
  657    H5A  SXH  87           H5B      SXH  87  -2.953  11.698   0.223
  658    H6   SXH  87           H6C      SXH  87  -1.852  10.039  -1.209
  659    H6A  SXH  87           H6A      SXH  87  -1.111  11.337  -2.140
  660    H6B  SXH  87           H6B      SXH  87  -2.864  11.133  -2.155