*HEADER    CHEMOKINE                               01-DEC-98   1B2T              
*TITLE     SOLUTION STRUCTURE OF THE CX3C CHEMOKINE DOMAIN OF                    
*TITLE    2 FRACTALKINE                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FRACTALKINE;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CHEMOKINE DOMAIN;                                          
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: DISULFIDE BETWEEN 8 AND 34 AND 12 AND 50              
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   6 EXPRESSION_SYSTEM_VARIANT: PLYSS;                                    
*SOURCE   7 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM                       
*KEYWDS    CHEMOKINE                                                             
*EXPDTA    NMR                                                                   
*AUTHOR    T.M.HANDEL,L.S.MIZOUE,J.F.BAZAN,E.C.JOHNSON                           
*REVDAT   1   08-APR-99 1B2T    0                       

 ASSI (
     (segid "    " and resid "0   " and name "HB2 ")
  OR 
     (segid "    " and resid "0   " and name "HB1 ")
 )(
     (segid "    " and resid "0   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1698 weight  0.10000E+01 volume -0.19100E+00 ppm1      2.071 ppm2      4.079
 ASSI (
     (segid "    " and resid "0   " and name "HB2 ")
  OR 
     (segid "    " and resid "0   " and name "HB1 ")
 )(
     (segid "    " and resid "0   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1699 weight  0.10000E+01 volume -0.13590E+01 ppm1      2.070 ppm2      2.499
 ASSI (
     (segid "    " and resid "0   " and name "HB2 ")
  OR 
     (segid "    " and resid "0   " and name "HB1 ")
 )(
     (segid "    " and resid "0   " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  1700 weight  0.10000E+01 volume -0.80000E+00 ppm1      2.070 ppm2      2.431
 ASSI (
     (segid "    " and resid "1   " and name "HA  ")
 )(
     (segid "    " and resid "1   " and name "HB2 ")
  OR 
     (segid "    " and resid "1   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4509 weight  0.10000E+01 volume  0.50200E+00 ppm1      4.294 ppm2      1.891
 ASSI (
     (segid "    " and resid "2   " and name "HB1 ")
 )(
     (segid "    " and resid "2   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1703 weight  0.10000E+01 volume  0.14300E+00 ppm1      3.149 ppm2      4.602
 ASSI (
     (segid "    " and resid "3   " and name "HB1 ")
 )(
     (segid "    " and resid "3   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1704 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.217 ppm2      4.687
 ASSI (
     (segid "    " and resid "3   " and name "HB2 ")
 )(
     (segid "    " and resid "3   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1705 weight  0.10000E+01 volume  0.23400E+00 ppm1      3.109 ppm2      4.692
 ASSI (
     (segid "    " and resid "5   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  1710 weight  0.10000E+01 volume  0.62300E+00 ppm1      4.172 ppm2      2.041
 ASSI (
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1720 weight  0.10000E+01 volume  0.78900E+00 ppm1      0.878 ppm2      4.177
 ASSI (
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )(
     (segid "    " and resid "5   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  1717 weight  0.10000E+01 volume  0.13360E+01 ppm1      0.881 ppm2      2.031
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1725 weight  0.10000E+01 volume  0.54400E+00 ppm1      0.879 ppm2      4.177
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "5   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  1724 weight  0.10000E+01 volume  0.94500E+00 ppm1      0.878 ppm2      2.030
 ASSI (
     (segid "    " and resid "6   " and name "HA  ")
 )(
     (segid "    " and resid "6   " and name "HB  ")
 )
      3.300     3.300     0.000 peak  1730 weight  0.10000E+01 volume  0.18330E+01 ppm1      4.260 ppm2      4.060
 ASSI (
     (segid "    " and resid "6   " and name "HB  ")
 )(
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )
      3.300     3.300     0.000 peak  1732 weight  0.10000E+01 volume  0.16350E+01 ppm1      4.050 ppm2      1.112
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "6   " and name "HA  ")
 )
      3.300     3.300     0.000 peak  1738 weight  0.10000E+01 volume  0.15530E+01 ppm1      1.108 ppm2      4.268
 ASSI (
     (segid "    " and resid "7   " and name "HA  ")
 )(
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1744 weight  0.10000E+01 volume  0.53100E+00 ppm1      4.248 ppm2      1.295
 ASSI (
     (segid "    " and resid "7   " and name "HB1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1747 weight  0.10000E+01 volume  0.43600E+00 ppm1      1.723 ppm2      4.260
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1750 weight  0.10000E+01 volume  0.51500E+00 ppm1      1.661 ppm2      4.256
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
 )(
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  1749 weight  0.10000E+01 volume  0.26400E+00 ppm1      1.659 ppm2      1.302
 ASSI (
     (segid "    " and resid "7   " and name "HD2 ")
  OR 
     (segid "    " and resid "7   " and name "HD1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1757 weight  0.10000E+01 volume  0.26900E+00 ppm1      1.597 ppm2      4.258
 ASSI (
     (segid "    " and resid "7   " and name "HD2 ")
  OR 
     (segid "    " and resid "7   " and name "HD1 ")
 )(
     (segid "    " and resid "7   " and name "HE2 ")
  OR 
     (segid "    " and resid "7   " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  8435 weight  0.10000E+01 volume  0.57700E+00 ppm1      1.597 ppm2      2.917
 ASSI (
     (segid "    " and resid "7   " and name "HE2 ")
  OR 
     (segid "    " and resid "7   " and name "HE1 ")
 )(
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1758 weight  0.10000E+01 volume  0.55900E+00 ppm1      2.908 ppm2      1.295
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )(
     (segid "    " and resid "7   " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3705 weight  0.10000E+01 volume  0.17520E+01 ppm1      1.292 ppm2      1.721
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )(
     (segid "    " and resid "7   " and name "HD2 ")
  OR 
     (segid "    " and resid "7   " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  3707 weight  0.10000E+01 volume  0.28960E+01 ppm1      1.291 ppm2      1.601
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  1760 weight  0.10000E+01 volume  0.12920E+01 ppm1      4.606 ppm2      2.928
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  1759 weight  0.10000E+01 volume  0.96100E+00 ppm1      4.604 ppm2      2.632
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  1775 weight  0.10000E+01 volume  0.35400E+01 ppm1      2.624 ppm2      2.942
 ASSI (
     (segid "    " and resid "9   " and name "HA  ")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  1785 weight  0.10000E+01 volume  0.39880E+01 ppm1      4.449 ppm2      2.717
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  1804 weight  0.10000E+01 volume  0.17110E+01 ppm1      4.224 ppm2      1.734
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      3.300     3.300     0.000 peak  1802 weight  0.10000E+01 volume  0.17320E+01 ppm1      4.223 ppm2      0.753
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  1800 weight  0.10000E+01 volume  0.12590E+01 ppm1      4.224 ppm2      1.464
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HG12")
 )
      5.000     5.000     0.000 peak  1801 weight  0.10000E+01 volume  0.82500E+00 ppm1      4.224 ppm2      0.837
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      3.300     3.300     0.000 peak  1803 weight  0.10000E+01 volume  0.15130E+01 ppm1      4.223 ppm2      0.721
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      2.700     2.700     0.000 peak  1811 weight  0.10000E+01 volume  0.52000E+01 ppm1      1.728 ppm2      0.750
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  1813 weight  0.10000E+01 volume  0.10970E+01 ppm1      1.728 ppm2      1.461
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HG12")
 )
      5.000     5.000     0.000 peak  1809 weight  0.10000E+01 volume  0.12690E+01 ppm1      1.728 ppm2      0.835
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      2.700     2.700     0.000 peak  1810 weight  0.10000E+01 volume  0.47040E+01 ppm1      1.728 ppm2      0.716
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      2.700     2.700     0.000 peak  1854 weight  0.10000E+01 volume  0.39600E+01 ppm1      0.751 ppm2      1.456
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HG12")
 )
      2.700     2.700     0.000 peak  6660 weight  0.10000E+01 volume  0.77640E+01 ppm1      0.749 ppm2      0.836
 ASSI (
     (segid "    " and resid "10  " and name "HG12")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      2.700     2.700     0.000 peak  1827 weight  0.10000E+01 volume  0.39560E+01 ppm1      0.832 ppm2      1.460
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "11  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  1878 weight  0.10000E+01 volume  0.10950E+01 ppm1      4.482 ppm2      3.914
 ASSI (
     (segid "    " and resid "11  " and name "HB  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      3.300     3.300     0.000 peak  1883 weight  0.10000E+01 volume  0.25360E+01 ppm1      3.900 ppm2      1.014
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  1897 weight  0.10000E+01 volume  0.16980E+01 ppm1      1.007 ppm2      4.489
 ASSI (
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4441 weight  0.10000E+01 volume  0.98000E+00 ppm1      5.054 ppm2      2.630
 ASSI (
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4442 weight  0.10000E+01 volume  0.12010E+01 ppm1      5.054 ppm2      3.035
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  1907 weight  0.10000E+01 volume  0.32000E+01 ppm1      3.031 ppm2      2.630
 ASSI (
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  1931 weight  0.10000E+01 volume  0.35620E+01 ppm1      4.373 ppm2      3.838
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  1947 weight  0.10000E+01 volume  0.15480E+01 ppm1      4.477 ppm2      1.852
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  1948 weight  0.10000E+01 volume  0.12610E+01 ppm1      4.477 ppm2      1.785
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1945 weight  0.10000E+01 volume  0.73000E+00 ppm1      4.480 ppm2      1.419
 ASSI (
     (segid "    " and resid "14  " and name "HB1 ")
 )(
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  6784 weight  0.10000E+01 volume  0.20120E+01 ppm1      1.841 ppm2      1.698
 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  6785 weight  0.10000E+01 volume  0.12540E+01 ppm1      1.780 ppm2      1.705
 ASSI (
     (segid "    " and resid "14  " and name "HB1 ")
 )(
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  1955 weight  0.10000E+01 volume  0.59000E-01 ppm1      1.837 ppm2      3.023
 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  1964 weight  0.10000E+01 volume  0.64000E-01 ppm1      1.768 ppm2      3.016
 ASSI (
     (segid "    " and resid "14  " and name "HB1 ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1953 weight  0.10000E+01 volume  0.11190E+01 ppm1      1.840 ppm2      1.417
 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1959 weight  0.10000E+01 volume  0.11170E+01 ppm1      1.782 ppm2      1.422
 ASSI (
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1978 weight  0.10000E+01 volume  0.30800E+00 ppm1      1.700 ppm2      4.486
 ASSI (
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )(
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  1977 weight  0.10000E+01 volume  0.52100E+00 ppm1      1.703 ppm2      3.008
 ASSI (
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  1976 weight  0.10000E+01 volume  0.33330E+01 ppm1      1.703 ppm2      1.426
 ASSI (
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  6717 weight  0.10000E+01 volume  0.17190E+01 ppm1      3.003 ppm2      1.425
 ASSI (
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1984 weight  0.10000E+01 volume  0.65000E-01 ppm1      2.275 ppm2      4.838
 ASSI (
     (segid "    " and resid "15  " and name "HB2 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1995 weight  0.10000E+01 volume  0.27000E-01 ppm1      2.143 ppm2      4.836
 ASSI (
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1982 weight  0.10000E+01 volume  0.30100E+00 ppm1      2.278 ppm2      2.881
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5786 weight  0.10000E+01 volume  0.11600E+01 ppm1      1.918 ppm2      4.820
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6795 weight  0.10000E+01 volume  0.14870E+01 ppm1      1.917 ppm2      2.876
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  6794 weight  0.10000E+01 volume  0.24560E+01 ppm1      1.919 ppm2      2.549
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2009 weight  0.10000E+01 volume  0.41900E+00 ppm1      2.869 ppm2      4.824
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2018 weight  0.10000E+01 volume  0.42500E+00 ppm1      2.543 ppm2      4.829
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2003 weight  0.10000E+01 volume  0.11570E+01 ppm1      2.871 ppm2      2.155
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "15  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2014 weight  0.10000E+01 volume  0.13720E+01 ppm1      2.544 ppm2      2.155
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2015 weight  0.10000E+01 volume  0.25970E+01 ppm1      2.544 ppm2      2.881
 ASSI (
     (segid "    " and resid "16  " and name "HA  ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2022 weight  0.10000E+01 volume  0.64300E+00 ppm1      4.472 ppm2      1.397
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "16  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2035 weight  0.10000E+01 volume  0.19560E+01 ppm1      4.293 ppm2      4.476
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2032 weight  0.10000E+01 volume  0.23070E+01 ppm1      4.296 ppm2      1.405
 ASSI (
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2023 weight  0.10000E+01 volume  0.39460E+01 ppm1      4.546 ppm2      3.817
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2085 weight  0.10000E+01 volume  0.11100E+01 ppm1      0.675 ppm2      0.784
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6832 weight  0.10000E+01 volume  0.99100E+00 ppm1      0.674 ppm2      0.378
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2083 weight  0.10000E+01 volume  0.57500E+00 ppm1      0.674 ppm2      0.200
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2108 weight  0.10000E+01 volume  0.16340E+01 ppm1      0.440 ppm2      0.681
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2109 weight  0.10000E+01 volume  0.29370E+01 ppm1      0.441 ppm2      0.776
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2101 weight  0.10000E+01 volume  0.72600E+00 ppm1      0.772 ppm2      1.294
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2111 weight  0.10000E+01 volume  0.77700E+00 ppm1      0.439 ppm2      1.293
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2100 weight  0.10000E+01 volume  0.66200E+00 ppm1      0.772 ppm2      1.258
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2112 weight  0.10000E+01 volume  0.62400E+00 ppm1      0.438 ppm2      1.256
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2102 weight  0.10000E+01 volume  0.15900E+00 ppm1      0.770 ppm2      2.744
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2113 weight  0.10000E+01 volume  0.16300E+00 ppm1      0.436 ppm2      2.746
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2098 weight  0.10000E+01 volume  0.16310E+01 ppm1      0.771 ppm2      0.378
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2107 weight  0.10000E+01 volume  0.20080E+01 ppm1      0.440 ppm2      0.377
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2096 weight  0.10000E+01 volume  0.10810E+01 ppm1      0.772 ppm2      0.193
 ASSI (
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2148 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.291 ppm2      0.680
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2156 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.255 ppm2      0.680
 ASSI (
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2149 weight  0.10000E+01 volume  0.88600E+00 ppm1      1.293 ppm2      2.752
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2158 weight  0.10000E+01 volume  0.86300E+00 ppm1      1.255 ppm2      2.753
 ASSI (
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2145 weight  0.10000E+01 volume  0.13150E+01 ppm1      1.292 ppm2      0.376
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2154 weight  0.10000E+01 volume  0.12890E+01 ppm1      1.255 ppm2      0.377
 ASSI (
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2144 weight  0.10000E+01 volume  0.98500E+00 ppm1      1.290 ppm2      0.193
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2153 weight  0.10000E+01 volume  0.96500E+00 ppm1      1.255 ppm2      0.195
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2166 weight  0.10000E+01 volume  0.58100E+00 ppm1      2.743 ppm2      0.386
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2165 weight  0.10000E+01 volume  0.65300E+00 ppm1      2.742 ppm2      0.205
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  2133 weight  0.10000E+01 volume  0.27070E+01 ppm1      0.186 ppm2      0.443
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  2132 weight  0.10000E+01 volume  0.39660E+01 ppm1      0.187 ppm2      0.376
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2178 weight  0.10000E+01 volume  0.71100E+00 ppm1      4.141 ppm2      1.318
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2173 weight  0.10000E+01 volume  0.44500E+00 ppm1      4.141 ppm2      0.247
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      5.000     5.000     0.000 peak  2179 weight  0.10000E+01 volume  0.10540E+01 ppm1      4.139 ppm2      1.465
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      5.000     5.000     0.000 peak  2174 weight  0.10000E+01 volume  0.82100E+00 ppm1      4.140 ppm2      0.539
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2175 weight  0.10000E+01 volume  0.16540E+01 ppm1      4.141 ppm2      0.750
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      5.000     5.000     0.000 peak  2189 weight  0.10000E+01 volume  0.12470E+01 ppm1      1.312 ppm2      1.469
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      5.000     5.000     0.000 peak  2186 weight  0.10000E+01 volume  0.73800E+00 ppm1      1.312 ppm2      0.536
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  2249 weight  0.10000E+01 volume  0.32340E+01 ppm1      0.243 ppm2      1.319
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      2.700     2.700     0.000 peak  2250 weight  0.10000E+01 volume  0.30140E+01 ppm1      0.242 ppm2      1.469
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      2.700     2.700     0.000 peak  2244 weight  0.10000E+01 volume  0.36070E+01 ppm1      0.242 ppm2      0.534
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      2.700     2.700     0.000 peak  2245 weight  0.10000E+01 volume  0.45540E+01 ppm1      0.242 ppm2      0.748
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      2.700     2.700     0.000 peak  2219 weight  0.10000E+01 volume  0.40570E+01 ppm1      0.525 ppm2      1.465
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  2232 weight  0.10000E+01 volume  0.37340E+01 ppm1      0.745 ppm2      1.324
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      3.300     3.300     0.000 peak  2233 weight  0.10000E+01 volume  0.16450E+01 ppm1      0.744 ppm2      1.471
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      3.300     3.300     0.000 peak  2227 weight  0.10000E+01 volume  0.15200E+01 ppm1      0.744 ppm2      0.535
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2271 weight  0.10000E+01 volume  0.17750E+01 ppm1      4.118 ppm2      2.276
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2274 weight  0.10000E+01 volume  0.22300E+00 ppm1      4.119 ppm2      3.602
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2272 weight  0.10000E+01 volume  0.17800E+00 ppm1      4.119 ppm2      3.442
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2270 weight  0.10000E+01 volume  0.75400E+00 ppm1      4.119 ppm2      1.971
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2298 weight  0.10000E+01 volume  0.17100E+01 ppm1      1.762 ppm2      4.133
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2294 weight  0.10000E+01 volume  0.50620E+01 ppm1      1.763 ppm2      2.282
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2286 weight  0.10000E+01 volume  0.45900E+00 ppm1      2.269 ppm2      3.603
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2297 weight  0.10000E+01 volume  0.13250E+01 ppm1      1.763 ppm2      3.613
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2285 weight  0.10000E+01 volume  0.52300E+00 ppm1      2.268 ppm2      3.446
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2296 weight  0.10000E+01 volume  0.82500E+00 ppm1      1.761 ppm2      3.448
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2284 weight  0.10000E+01 volume  0.21350E+01 ppm1      2.272 ppm2      1.991
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  2293 weight  0.10000E+01 volume  0.37250E+01 ppm1      1.763 ppm2      1.982
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  2283 weight  0.10000E+01 volume  0.61060E+01 ppm1      2.270 ppm2      1.805
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  6978 weight  0.10000E+01 volume  0.92770E+01 ppm1      1.757 ppm2      1.811
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  2351 weight  0.10000E+01 volume  0.48390E+01 ppm1      3.439 ppm2      3.605
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2332 weight  0.10000E+01 volume  0.14190E+01 ppm1      3.596 ppm2      1.984
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2349 weight  0.10000E+01 volume  0.15200E+01 ppm1      3.436 ppm2      1.987
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  2331 weight  0.10000E+01 volume  0.17210E+01 ppm1      3.596 ppm2      1.808
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  2348 weight  0.10000E+01 volume  0.20850E+01 ppm1      3.438 ppm2      1.806
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  6995 weight  0.10000E+01 volume  0.54960E+01 ppm1      1.806 ppm2      1.983
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  2360 weight  0.10000E+01 volume  0.25330E+01 ppm1      3.674 ppm2      1.939
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      3.300     3.300     0.000 peak  2356 weight  0.10000E+01 volume  0.15970E+01 ppm1      3.673 ppm2      0.807
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2355 weight  0.10000E+01 volume  0.97400E+00 ppm1      3.673 ppm2      0.721
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      3.300     3.300     0.000 peak  2370 weight  0.10000E+01 volume  0.15670E+01 ppm1      1.942 ppm2      0.817
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "21  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  2400 weight  0.10000E+01 volume  0.18750E+01 ppm1      0.716 ppm2      1.937
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2419 weight  0.10000E+01 volume  0.46980E+01 ppm1      4.166 ppm2      1.346
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2434 weight  0.10000E+01 volume  0.28230E+01 ppm1      4.245 ppm2      1.710
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )
      2.700     2.700     0.000 peak  2476 weight  0.10000E+01 volume  0.34410E+01 ppm1      1.697 ppm2      0.881
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )
      2.700     2.700     0.000 peak  2475 weight  0.10000E+01 volume  0.32580E+01 ppm1      1.698 ppm2      0.821
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HG  ")
 )
      2.700     2.700     0.000 peak  8555 weight  0.10000E+01 volume  0.52700E+01 ppm1      1.706 ppm2      1.627
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2459 weight  0.10000E+01 volume  0.76800E+00 ppm1      0.873 ppm2      4.252
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "23  " and name "HG  ")
 )
      2.700     2.700     0.000 peak  3341 weight  0.10000E+01 volume  0.32810E+01 ppm1      0.874 ppm2      1.622
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  2467 weight  0.10000E+01 volume  0.33320E+01 ppm1      0.816 ppm2      4.251
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2445 weight  0.10000E+01 volume  0.82800E+00 ppm1      1.614 ppm2      4.251
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )
      2.700     2.700     0.000 peak  2441 weight  0.10000E+01 volume  0.30800E+01 ppm1      1.616 ppm2      0.820
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  2492 weight  0.10000E+01 volume  0.30680E+01 ppm1      2.162 ppm2      1.294
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      3.300     3.300     0.000 peak  2490 weight  0.10000E+01 volume  0.22230E+01 ppm1      2.162 ppm2      0.801
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      3.300     3.300     0.000 peak  2499 weight  0.10000E+01 volume  0.24510E+01 ppm1      1.287 ppm2      0.796
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  2493 weight  0.10000E+01 volume  0.74600E+00 ppm1      2.164 ppm2      1.914
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  2502 weight  0.10000E+01 volume  0.69300E+00 ppm1      1.281 ppm2      1.916
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2528 weight  0.10000E+01 volume  0.27400E+00 ppm1      0.991 ppm2      4.692
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2523 weight  0.10000E+01 volume  0.15420E+01 ppm1      0.992 ppm2      2.168
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  2520 weight  0.10000E+01 volume  0.19670E+01 ppm1      0.991 ppm2      1.286
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      2.700     2.700     0.000 peak  2518 weight  0.10000E+01 volume  0.67650E+01 ppm1      0.995 ppm2      0.801
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  2522 weight  0.10000E+01 volume  0.22640E+01 ppm1      0.990 ppm2      1.920
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2549 weight  0.10000E+01 volume  0.15210E+01 ppm1      0.793 ppm2      4.687
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  2545 weight  0.10000E+01 volume  0.16820E+01 ppm1      0.792 ppm2      1.918
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2515 weight  0.10000E+01 volume  0.20200E+00 ppm1      1.921 ppm2      4.690
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2570 weight  0.10000E+01 volume  0.17280E+01 ppm1      1.768 ppm2      4.700
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )
      2.700     2.700     0.000 peak  2567 weight  0.10000E+01 volume  0.45150E+01 ppm1      1.767 ppm2      0.700
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      5.000     5.000     0.000 peak  2568 weight  0.10000E+01 volume  0.10570E+01 ppm1      1.767 ppm2      1.074
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HG12")
 )
      5.000     5.000     0.000 peak  2564 weight  0.10000E+01 volume  0.91600E+00 ppm1      1.767 ppm2      0.619
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      2.700     2.700     0.000 peak  2566 weight  0.10000E+01 volume  0.47420E+01 ppm1      1.767 ppm2      0.731
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2634 weight  0.10000E+01 volume  0.66700E+00 ppm1      0.699 ppm2      4.700
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      2.700     2.700     0.000 peak  2621 weight  0.10000E+01 volume  0.36830E+01 ppm1      0.699 ppm2      1.075
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HG12")
 )
      2.700     2.700     0.000 peak  2618 weight  0.10000E+01 volume  0.67790E+01 ppm1      0.700 ppm2      0.611
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      3.300     3.300     0.000 peak  2591 weight  0.10000E+01 volume  0.23190E+01 ppm1      0.617 ppm2      1.074
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2575 weight  0.10000E+01 volume  0.25490E+01 ppm1      1.072 ppm2      0.731
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      2.700     2.700     0.000 peak  2589 weight  0.10000E+01 volume  0.30890E+01 ppm1      0.614 ppm2      0.730
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3063 weight  0.10000E+01 volume  0.26230E+01 ppm1      0.721 ppm2      4.690
 ASSI (
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2650 weight  0.10000E+01 volume  0.14530E+01 ppm1      4.993 ppm2      3.353
 ASSI (
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2649 weight  0.10000E+01 volume  0.11130E+01 ppm1      4.999 ppm2      3.136
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2680 weight  0.10000E+01 volume  0.45800E+01 ppm1      3.135 ppm2      3.352
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2667 weight  0.10000E+01 volume  0.27400E+00 ppm1      3.351 ppm2      7.303
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2684 weight  0.10000E+01 volume  0.28500E+00 ppm1      3.136 ppm2      7.306
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "26  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2670 weight  0.10000E+01 volume  0.13600E+00 ppm1      3.346 ppm2      8.544
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2687 weight  0.10000E+01 volume  0.16700E+00 ppm1      3.138 ppm2      8.541
 ASSI (
     (segid "    " and resid "26  " and name "HD2 ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5843 weight  0.10000E+01 volume  0.12300E+00 ppm1      7.301 ppm2      5.003
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2695 weight  0.10000E+01 volume  0.12260E+01 ppm1      5.901 ppm2      2.559
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2696 weight  0.10000E+01 volume  0.12660E+01 ppm1      5.902 ppm2      2.826
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2700 weight  0.10000E+01 volume  0.45000E+00 ppm1      5.900 ppm2      6.711
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2701 weight  0.10000E+01 volume  0.79000E-01 ppm1      5.901 ppm2      6.817
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  2720 weight  0.10000E+01 volume  0.21650E+01 ppm1      2.555 ppm2      2.827
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2724 weight  0.10000E+01 volume  0.99400E+00 ppm1      2.556 ppm2      6.708
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2711 weight  0.10000E+01 volume  0.88000E+00 ppm1      2.822 ppm2      6.709
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2725 weight  0.10000E+01 volume  0.19000E+00 ppm1      2.555 ppm2      6.815
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2712 weight  0.10000E+01 volume  0.17900E+00 ppm1      2.823 ppm2      6.813
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      2.700     2.700     0.000 peak  5663 weight  0.10000E+01 volume  0.38910E+01 ppm1      6.703 ppm2      6.821
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4444 weight  0.10000E+01 volume  0.15820E+01 ppm1      4.472 ppm2      2.005
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2652 weight  0.10000E+01 volume  0.36000E+00 ppm1      4.472 ppm2      2.294
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  2656 weight  0.10000E+01 volume  0.17420E+01 ppm1      4.472 ppm2      2.150
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2752 weight  0.10000E+01 volume  0.27950E+01 ppm1      2.005 ppm2      2.294
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2742 weight  0.10000E+01 volume  0.51910E+01 ppm1      2.149 ppm2      2.004
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  2743 weight  0.10000E+01 volume  0.59530E+01 ppm1      2.148 ppm2      2.294
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4449 weight  0.10000E+01 volume  0.12050E+01 ppm1      4.506 ppm2      2.178
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4451 weight  0.10000E+01 volume  0.11910E+01 ppm1      4.508 ppm2      1.997
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4450 weight  0.10000E+01 volume  0.77400E+00 ppm1      4.508 ppm2      2.472
 ASSI (
     (segid "    " and resid "29  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  2759 weight  0.10000E+01 volume  0.60910E+01 ppm1      2.172 ppm2      1.992
 ASSI (
     (segid "    " and resid "29  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2760 weight  0.10000E+01 volume  0.18370E+01 ppm1      2.164 ppm2      2.470
 ASSI (
     (segid "    " and resid "29  " and name "HB2 ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2765 weight  0.10000E+01 volume  0.18190E+01 ppm1      1.992 ppm2      2.468
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2785 weight  0.10000E+01 volume  0.94500E+00 ppm1      2.822 ppm2      4.745
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2796 weight  0.10000E+01 volume  0.72900E+00 ppm1      2.709 ppm2      4.745
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2813 weight  0.10000E+01 volume  0.23110E+01 ppm1      4.242 ppm2      2.458
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2824 weight  0.10000E+01 volume  0.11980E+01 ppm1      2.189 ppm2      4.239
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2836 weight  0.10000E+01 volume  0.11570E+01 ppm1      1.974 ppm2      4.244
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2831 weight  0.10000E+01 volume  0.57720E+01 ppm1      1.976 ppm2      2.202
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2841 weight  0.10000E+01 volume  0.35550E+01 ppm1      2.451 ppm2      2.199
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  2840 weight  0.10000E+01 volume  0.22050E+01 ppm1      2.451 ppm2      1.985
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2852 weight  0.10000E+01 volume  0.34960E+01 ppm1      4.101 ppm2      1.415
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2872 weight  0.10000E+01 volume  0.21440E+01 ppm1      3.981 ppm2      4.357
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2884 weight  0.10000E+01 volume  0.23190E+01 ppm1      3.899 ppm2      4.356
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "33  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2882 weight  0.10000E+01 volume  0.10509E+02 ppm1      3.900 ppm2      3.986
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2891 weight  0.10000E+01 volume  0.13690E+01 ppm1      5.036 ppm2      3.821
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7312 weight  0.10000E+01 volume  0.13860E+01 ppm1      5.031 ppm2      2.996
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2913 weight  0.10000E+01 volume  0.35330E+01 ppm1      2.985 ppm2      3.819
 ASSI (
     (segid "    " and resid "35  " and name "HA2 ")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      2.700     2.700     0.000 peak  2933 weight  0.10000E+01 volume  0.36440E+01 ppm1      3.657 ppm2      4.286
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4517 weight  0.10000E+01 volume  0.10440E+01 ppm1      4.047 ppm2      1.354
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2937 weight  0.10000E+01 volume  0.91000E-01 ppm1      4.044 ppm2      3.005
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4518 weight  0.10000E+01 volume  0.83000E+00 ppm1      4.046 ppm2      1.467
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4520 weight  0.10000E+01 volume  0.13840E+01 ppm1      4.046 ppm2      1.419
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2945 weight  0.10000E+01 volume  0.10720E+01 ppm1      1.670 ppm2      4.057
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  2948 weight  0.10000E+01 volume  0.35540E+01 ppm1      1.344 ppm2      1.670
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2944 weight  0.10000E+01 volume  0.24500E+00 ppm1      1.670 ppm2      3.007
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2953 weight  0.10000E+01 volume  0.25700E+00 ppm1      1.348 ppm2      3.013
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2940 weight  0.10000E+01 volume  0.20180E+01 ppm1      1.670 ppm2      1.471
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2949 weight  0.10000E+01 volume  0.19270E+01 ppm1      1.344 ppm2      1.470
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  2941 weight  0.10000E+01 volume  0.33350E+01 ppm1      1.670 ppm2      1.422
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  2950 weight  0.10000E+01 volume  0.31460E+01 ppm1      1.345 ppm2      1.421
 ASSI (
     (segid "    " and resid "36  " and name "HD2 ")
  OR 
     (segid "    " and resid "36  " and name "HD1 ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2971 weight  0.10000E+01 volume  0.26900E+00 ppm1      1.572 ppm2      4.054
 ASSI (
     (segid "    " and resid "36  " and name "HD2 ")
  OR 
     (segid "    " and resid "36  " and name "HD1 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2970 weight  0.10000E+01 volume  0.94600E+00 ppm1      1.571 ppm2      2.974
 ASSI (
     (segid "    " and resid "36  " and name "HG1 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2959 weight  0.10000E+01 volume  0.41900E+00 ppm1      1.468 ppm2      2.994
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2965 weight  0.10000E+01 volume  0.44500E+00 ppm1      1.417 ppm2      2.998
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2978 weight  0.10000E+01 volume  0.23100E+01 ppm1      4.179 ppm2      1.717
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2981 weight  0.10000E+01 volume  0.40700E+00 ppm1      4.178 ppm2      3.195
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2985 weight  0.10000E+01 volume  0.11020E+01 ppm1      1.718 ppm2      3.191
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  2984 weight  0.10000E+01 volume  0.35780E+01 ppm1      1.718 ppm2      1.541
 ASSI (
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  2990 weight  0.10000E+01 volume  0.15770E+01 ppm1      1.540 ppm2      3.187
 ASSI (
     (segid "    " and resid "38  " and name "HA  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4456 weight  0.10000E+01 volume  0.18270E+01 ppm1      4.627 ppm2      1.374
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4465 weight  0.10000E+01 volume  0.57700E+00 ppm1      4.483 ppm2      1.698
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HG12")
 )
      5.000     5.000     0.000 peak  4463 weight  0.10000E+01 volume  0.59900E+00 ppm1      4.483 ppm2      1.266
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4460 weight  0.10000E+01 volume  0.24510E+01 ppm1      4.485 ppm2      0.720
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      3.300     3.300     0.000 peak  3029 weight  0.10000E+01 volume  0.17880E+01 ppm1      1.696 ppm2      0.674
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )
      3.300     3.300     0.000 peak  3032 weight  0.10000E+01 volume  0.19860E+01 ppm1      1.694 ppm2      1.268
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  3028 weight  0.10000E+01 volume  0.27820E+01 ppm1      1.696 ppm2      0.722
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  3094 weight  0.10000E+01 volume  0.33560E+01 ppm1      0.663 ppm2      4.501
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )
      2.700     2.700     0.000 peak  3078 weight  0.10000E+01 volume  0.45430E+01 ppm1      0.665 ppm2      1.273
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      2.700     2.700     0.000 peak  3104 weight  0.10000E+01 volume  0.37480E+01 ppm1      1.264 ppm2      0.720
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      3.300     3.300     0.000 peak  4469 weight  0.10000E+01 volume  0.18580E+01 ppm1      4.913 ppm2      0.750
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4470 weight  0.10000E+01 volume  0.15310E+01 ppm1      4.916 ppm2      0.838
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3123 weight  0.10000E+01 volume  0.30600E+00 ppm1      1.971 ppm2      4.926
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3115 weight  0.10000E+01 volume  0.11560E+01 ppm1      1.970 ppm2      0.738
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3119 weight  0.10000E+01 volume  0.11390E+01 ppm1      1.972 ppm2      1.387
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      5.000     5.000     0.000 peak  3118 weight  0.10000E+01 volume  0.11390E+01 ppm1      1.974 ppm2      1.240
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      2.700     2.700     0.000 peak  3179 weight  0.10000E+01 volume  0.37410E+01 ppm1      0.749 ppm2      1.386
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      2.700     2.700     0.000 peak  7480 weight  0.10000E+01 volume  0.46400E+01 ppm1      0.746 ppm2      0.836
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3135 weight  0.10000E+01 volume  0.23200E+00 ppm1      1.372 ppm2      4.919
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      2.700     2.700     0.000 peak  3139 weight  0.10000E+01 volume  0.32250E+01 ppm1      1.236 ppm2      0.751
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      2.700     2.700     0.000 peak  3140 weight  0.10000E+01 volume  0.46350E+01 ppm1      1.236 ppm2      1.382
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  3154 weight  0.10000E+01 volume  0.31970E+01 ppm1      0.829 ppm2      1.979
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      3.300     3.300     0.000 peak  7470 weight  0.10000E+01 volume  0.25970E+01 ppm1      0.828 ppm2      1.380
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      3.300     3.300     0.000 peak  7468 weight  0.10000E+01 volume  0.17730E+01 ppm1      0.828 ppm2      1.240
 ASSI (
     (segid "    " and resid "41  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4478 weight  0.10000E+01 volume  0.72100E+00 ppm1      4.971 ppm2      1.495
 ASSI (
     (segid "    " and resid "41  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4479 weight  0.10000E+01 volume  0.84100E+00 ppm1      4.970 ppm2      1.824
 ASSI (
     (segid "    " and resid "41  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  4477 weight  0.10000E+01 volume  0.10960E+01 ppm1      4.971 ppm2      0.853
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3213 weight  0.10000E+01 volume  0.18650E+01 ppm1      1.826 ppm2      1.491
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      3.300     3.300     0.000 peak  3223 weight  0.10000E+01 volume  0.15480E+01 ppm1      1.480 ppm2      0.848
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3210 weight  0.10000E+01 volume  0.14460E+01 ppm1      1.826 ppm2      0.851
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7521 weight  0.10000E+01 volume  0.11400E+01 ppm1      1.480 ppm2      1.661
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  3214 weight  0.10000E+01 volume  0.83400E+00 ppm1      1.825 ppm2      1.660
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  3250 weight  0.10000E+01 volume  0.18980E+01 ppm1      0.845 ppm2      1.661
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  3265 weight  0.10000E+01 volume  0.32390E+01 ppm1      0.751 ppm2      4.984
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7556 weight  0.10000E+01 volume  0.25630E+01 ppm1      0.749 ppm2      1.490
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      2.700     2.700     0.000 peak  7558 weight  0.10000E+01 volume  0.51860E+01 ppm1      0.749 ppm2      1.665
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3239 weight  0.10000E+01 volume  0.39000E+00 ppm1      1.661 ppm2      4.973
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3276 weight  0.10000E+01 volume  0.73300E+00 ppm1      5.625 ppm2      1.958
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3275 weight  0.10000E+01 volume  0.94600E+00 ppm1      5.626 ppm2      1.781
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3278 weight  0.10000E+01 volume  0.56500E+00 ppm1      5.625 ppm2      2.728
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3277 weight  0.10000E+01 volume  0.82300E+00 ppm1      5.625 ppm2      2.097
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3315 weight  0.10000E+01 volume  0.67800E+00 ppm1      2.720 ppm2      1.969
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3328 weight  0.10000E+01 volume  0.75700E+00 ppm1      2.094 ppm2      1.968
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3314 weight  0.10000E+01 volume  0.66000E+00 ppm1      2.720 ppm2      1.780
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3327 weight  0.10000E+01 volume  0.65900E+00 ppm1      2.094 ppm2      1.785
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3329 weight  0.10000E+01 volume  0.18220E+01 ppm1      2.094 ppm2      2.730
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3346 weight  0.10000E+01 volume  0.12650E+01 ppm1      5.442 ppm2      4.865
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3339 weight  0.10000E+01 volume  0.14620E+01 ppm1      5.445 ppm2      1.353
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  3371 weight  0.10000E+01 volume  0.18680E+01 ppm1      1.351 ppm2      4.863
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3392 weight  0.10000E+01 volume  0.26480E+01 ppm1      3.774 ppm2      1.788
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3391 weight  0.10000E+01 volume  0.14710E+01 ppm1      3.773 ppm2      1.586
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3408 weight  0.10000E+01 volume  0.12890E+01 ppm1      1.781 ppm2      3.190
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3407 weight  0.10000E+01 volume  0.43240E+01 ppm1      1.782 ppm2      1.576
 ASSI (
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4529 weight  0.10000E+01 volume  0.59300E+00 ppm1      3.178 ppm2      3.777
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  3416 weight  0.10000E+01 volume  0.30390E+01 ppm1      1.577 ppm2      3.199
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3430 weight  0.10000E+01 volume  0.15270E+01 ppm1      2.308 ppm2      4.272
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3440 weight  0.10000E+01 volume  0.12320E+01 ppm1      1.792 ppm2      4.273
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3439 weight  0.10000E+01 volume  0.54190E+01 ppm1      1.791 ppm2      2.309
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "45  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3437 weight  0.10000E+01 volume  0.21580E+01 ppm1      1.792 ppm2      2.428
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "45  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  3438 weight  0.10000E+01 volume  0.56900E+01 ppm1      1.792 ppm2      2.358
 ASSI (
     (segid "    " and resid "45  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3448 weight  0.10000E+01 volume  0.15030E+01 ppm1      2.417 ppm2      4.271
 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3454 weight  0.10000E+01 volume  0.11640E+01 ppm1      2.353 ppm2      4.272
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3462 weight  0.10000E+01 volume  0.11690E+01 ppm1      4.395 ppm2      3.333
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3461 weight  0.10000E+01 volume  0.97900E+00 ppm1      4.397 ppm2      3.605
 ASSI (
     (segid "    " and resid "46  " and name "HB2 ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3470 weight  0.10000E+01 volume  0.48800E+01 ppm1      3.598 ppm2      3.337
 ASSI (
     (segid "    " and resid "46  " and name "HB1 ")
 )(
     (segid "    " and resid "46  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  3478 weight  0.10000E+01 volume  0.34200E+00 ppm1      3.328 ppm2      7.177
 ASSI (
     (segid "    " and resid "46  " and name "HB2 ")
 )(
     (segid "    " and resid "46  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2338 weight  0.10000E+01 volume  0.50400E+00 ppm1      3.597 ppm2      7.178
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4485 weight  0.10000E+01 volume  0.12100E+01 ppm1      4.406 ppm2      1.717
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4484 weight  0.10000E+01 volume  0.19440E+01 ppm1      4.407 ppm2      1.618
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4486 weight  0.10000E+01 volume  0.41000E+00 ppm1      4.406 ppm2      3.167
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  4483 weight  0.10000E+01 volume  0.18070E+01 ppm1      4.407 ppm2      1.560
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4482 weight  0.10000E+01 volume  0.94100E+00 ppm1      4.407 ppm2      1.396
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  1875 weight  0.10000E+01 volume  0.31360E+01 ppm1      1.614 ppm2      1.713
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3481 weight  0.10000E+01 volume  0.40900E+00 ppm1      1.717 ppm2      3.175
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  3490 weight  0.10000E+01 volume  0.41600E+00 ppm1      1.613 ppm2      3.171
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  7695 weight  0.10000E+01 volume  0.34560E+01 ppm1      1.714 ppm2      1.554
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3489 weight  0.10000E+01 volume  0.28010E+01 ppm1      1.613 ppm2      1.554
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  3480 weight  0.10000E+01 volume  0.19020E+01 ppm1      1.714 ppm2      1.396
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3488 weight  0.10000E+01 volume  0.13720E+01 ppm1      1.612 ppm2      1.398
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  3514 weight  0.10000E+01 volume  0.17360E+01 ppm1      3.165 ppm2      1.400
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  3498 weight  0.10000E+01 volume  0.16670E+01 ppm1      1.549 ppm2      3.174
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  3497 weight  0.10000E+01 volume  0.53390E+01 ppm1      1.550 ppm2      1.397
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3517 weight  0.10000E+01 volume  0.92600E+00 ppm1      5.458 ppm2      1.027
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3519 weight  0.10000E+01 volume  0.10320E+01 ppm1      5.458 ppm2      1.574
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7725 weight  0.10000E+01 volume  0.14890E+01 ppm1      5.458 ppm2      0.747
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      3.300     3.300     0.000 peak  3515 weight  0.10000E+01 volume  0.19850E+01 ppm1      5.459 ppm2      0.691
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7731 weight  0.10000E+01 volume  0.88500E+00 ppm1      5.458 ppm2      1.547
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  3539 weight  0.10000E+01 volume  0.33830E+01 ppm1      1.020 ppm2      1.575
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      3.300     3.300     0.000 peak  3536 weight  0.10000E+01 volume  0.27130E+01 ppm1      1.022 ppm2      0.751
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      3.300     3.300     0.000 peak  3527 weight  0.10000E+01 volume  0.26210E+01 ppm1      1.571 ppm2      0.747
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      3.300     3.300     0.000 peak  3537 weight  0.10000E+01 volume  0.19750E+01 ppm1      1.022 ppm2      0.690
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  7763 weight  0.10000E+01 volume  0.26120E+01 ppm1      0.745 ppm2      1.547
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "48  " and name "HG  ")
 )
      2.700     2.700     0.000 peak  7769 weight  0.10000E+01 volume  0.35820E+01 ppm1      0.679 ppm2      1.544
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3545 weight  0.10000E+01 volume  0.81500E+00 ppm1      1.548 ppm2      1.033
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3607 weight  0.10000E+01 volume  0.52600E+00 ppm1      2.560 ppm2      4.709
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3605 weight  0.10000E+01 volume  0.22980E+01 ppm1      2.562 ppm2      3.108
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3595 weight  0.10000E+01 volume  0.11570E+01 ppm1      3.100 ppm2      7.142
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3609 weight  0.10000E+01 volume  0.11520E+01 ppm1      2.559 ppm2      7.143
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3596 weight  0.10000E+01 volume  0.31600E+00 ppm1      3.100 ppm2      7.248
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3610 weight  0.10000E+01 volume  0.34400E+00 ppm1      2.558 ppm2      7.242
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5693 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.136 ppm2      4.707
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      2.700     2.700     0.000 peak  8661 weight  0.10000E+01 volume  0.58160E+01 ppm1      7.137 ppm2      7.222
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3619 weight  0.10000E+01 volume  0.91700E+00 ppm1      5.116 ppm2      2.537
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3620 weight  0.10000E+01 volume  0.71100E+00 ppm1      5.112 ppm2      3.729
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3629 weight  0.10000E+01 volume  0.33730E+01 ppm1      3.721 ppm2      2.533
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3667 weight  0.10000E+01 volume  0.24390E+01 ppm1      1.077 ppm2      4.854
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3691 weight  0.10000E+01 volume  0.24160E+01 ppm1      2.445 ppm2      3.058
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3704 weight  0.10000E+01 volume  0.16790E+01 ppm1      3.904 ppm2      2.011
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3702 weight  0.10000E+01 volume  0.15540E+01 ppm1      3.903 ppm2      1.803
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3725 weight  0.10000E+01 volume  0.16810E+01 ppm1      1.884 ppm2      3.914
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3718 weight  0.10000E+01 volume  0.58400E+00 ppm1      2.005 ppm2      4.052
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3726 weight  0.10000E+01 volume  0.74300E+00 ppm1      1.885 ppm2      4.051
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3716 weight  0.10000E+01 volume  0.33320E+01 ppm1      2.007 ppm2      1.802
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  7875 weight  0.10000E+01 volume  0.58210E+01 ppm1      1.883 ppm2      1.802
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3755 weight  0.10000E+01 volume  0.99700E+00 ppm1      4.046 ppm2      3.908
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3750 weight  0.10000E+01 volume  0.33140E+01 ppm1      4.047 ppm2      1.800
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3763 weight  0.10000E+01 volume  0.31270E+01 ppm1      3.983 ppm2      1.727
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3764 weight  0.10000E+01 volume  0.13730E+01 ppm1      3.984 ppm2      1.640
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3762 weight  0.10000E+01 volume  0.18940E+01 ppm1      3.985 ppm2      1.346
 ASSI (
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )(
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3772 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.718 ppm2      2.959
 ASSI (
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3771 weight  0.10000E+01 volume  0.34780E+01 ppm1      1.717 ppm2      1.342
 ASSI (
     (segid "    " and resid "54  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HD1 ")
 )(
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )
      3.300     3.300     0.000 peak  3785 weight  0.10000E+01 volume  0.20070E+01 ppm1      1.630 ppm2      2.956
 ASSI (
     (segid "    " and resid "54  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HD1 ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3784 weight  0.10000E+01 volume  0.67510E+01 ppm1      1.633 ppm2      1.337
 ASSI (
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3793 weight  0.10000E+01 volume  0.17700E+00 ppm1      2.951 ppm2      3.990
 ASSI (
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3789 weight  0.10000E+01 volume  0.12370E+01 ppm1      2.953 ppm2      1.340
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3796 weight  0.10000E+01 volume  0.12170E+01 ppm1      4.150 ppm2      1.970
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3797 weight  0.10000E+01 volume  0.95800E+00 ppm1      4.149 ppm2      1.786
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3800 weight  0.10000E+01 volume  0.76200E+00 ppm1      4.147 ppm2      2.461
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  3798 weight  0.10000E+01 volume  0.17330E+01 ppm1      4.149 ppm2      2.254
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3818 weight  0.10000E+01 volume  0.28550E+01 ppm1      1.784 ppm2      1.971
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3821 weight  0.10000E+01 volume  0.11130E+01 ppm1      1.786 ppm2      2.458
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  3806 weight  0.10000E+01 volume  0.34980E+01 ppm1      1.968 ppm2      2.249
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3819 weight  0.10000E+01 volume  0.10730E+01 ppm1      1.785 ppm2      2.250
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3831 weight  0.10000E+01 volume  0.84500E+00 ppm1      2.456 ppm2      1.968
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3847 weight  0.10000E+01 volume  0.32590E+01 ppm1      2.243 ppm2      2.465
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3862 weight  0.10000E+01 volume  0.11400E+01 ppm1      3.604 ppm2      2.139
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  3863 weight  0.10000E+01 volume  0.15220E+01 ppm1      3.604 ppm2      2.263
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3864 weight  0.10000E+01 volume  0.13590E+01 ppm1      3.602 ppm2      2.401
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3876 weight  0.10000E+01 volume  0.30270E+01 ppm1      2.258 ppm2      2.139
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3883 weight  0.10000E+01 volume  0.36590E+01 ppm1      2.132 ppm2      2.394
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  3877 weight  0.10000E+01 volume  0.37200E+01 ppm1      2.258 ppm2      2.398
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4494 weight  0.10000E+01 volume  0.15870E+01 ppm1      4.447 ppm2      3.218
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4495 weight  0.10000E+01 volume  0.15590E+01 ppm1      4.447 ppm2      3.503
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5707 weight  0.10000E+01 volume  0.13100E+00 ppm1      7.623 ppm2      4.457
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5704 weight  0.10000E+01 volume  0.47500E+00 ppm1      7.622 ppm2      3.215
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5705 weight  0.10000E+01 volume  0.27300E+00 ppm1      7.621 ppm2      3.511
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5724 weight  0.10000E+01 volume  0.22100E+00 ppm1      7.325 ppm2      4.457
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5722 weight  0.10000E+01 volume  0.48100E+00 ppm1      7.324 ppm2      3.216
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5723 weight  0.10000E+01 volume  0.82700E+00 ppm1      7.324 ppm2      3.510
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      6.000     6.000     0.000 peak  5726 weight  0.10000E+01 volume  0.26700E+00 ppm1      7.323 ppm2      6.558
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  5727 weight  0.10000E+01 volume  0.12100E+01 ppm1      7.324 ppm2      6.673
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      3.300     3.300     0.000 peak  5764 weight  0.10000E+01 volume  0.21130E+01 ppm1      6.571 ppm2      6.676
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5742 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.318 ppm2      7.613
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  5743 weight  0.10000E+01 volume  0.76400E+00 ppm1      7.319 ppm2     10.308
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      5.000     5.000     0.000 peak  5738 weight  0.10000E+01 volume  0.11970E+01 ppm1      7.320 ppm2      6.578
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  5739 weight  0.10000E+01 volume  0.40600E+00 ppm1      7.321 ppm2      6.682
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3921 weight  0.10000E+01 volume  0.97500E+00 ppm1      2.555 ppm2      1.712
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      3.300     3.300     0.000 peak  3914 weight  0.10000E+01 volume  0.19530E+01 ppm1      2.555 ppm2      0.222
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      3.300     3.300     0.000 peak  3932 weight  0.10000E+01 volume  0.18960E+01 ppm1      1.707 ppm2     -0.833
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  3946 weight  0.10000E+01 volume  0.44130E+01 ppm1      0.211 ppm2      1.714
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      3.300     3.300     0.000 peak  3940 weight  0.10000E+01 volume  0.29840E+01 ppm1      0.214 ppm2     -0.838
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3973 weight  0.10000E+01 volume  0.20230E+01 ppm1     -0.843 ppm2      2.571
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4554 weight  0.10000E+01 volume  0.24240E+01 ppm1      3.785 ppm2      1.786
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3988 weight  0.10000E+01 volume  0.68300E+00 ppm1      3.784 ppm2      1.553
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  4553 weight  0.10000E+01 volume  0.13400E+01 ppm1      3.781 ppm2      1.406
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3993 weight  0.10000E+01 volume  0.10300E+00 ppm1      3.786 ppm2      2.819
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8083 weight  0.10000E+01 volume  0.12290E+01 ppm1      3.781 ppm2      1.385
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3987 weight  0.10000E+01 volume  0.11620E+01 ppm1      3.785 ppm2      1.195
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  4011 weight  0.10000E+01 volume  0.16910E+01 ppm1      1.781 ppm2      1.560
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  4014 weight  0.10000E+01 volume  0.22850E+01 ppm1      1.710 ppm2      1.557
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      3.300     3.300     0.000 peak  4003 weight  0.10000E+01 volume  0.26270E+01 ppm1      1.780 ppm2      1.406
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      2.700     2.700     0.000 peak  4013 weight  0.10000E+01 volume  0.33950E+01 ppm1      1.712 ppm2      1.407
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  4004 weight  0.10000E+01 volume  0.30000E+00 ppm1      1.781 ppm2      2.802
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  4015 weight  0.10000E+01 volume  0.37000E+00 ppm1      1.713 ppm2      2.801
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4002 weight  0.10000E+01 volume  0.11040E+01 ppm1      1.781 ppm2      1.191
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  4052 weight  0.10000E+01 volume  0.67670E+01 ppm1      1.406 ppm2      1.554
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  4044 weight  0.10000E+01 volume  0.79400E+00 ppm1      1.548 ppm2      2.805
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  4040 weight  0.10000E+01 volume  0.16260E+01 ppm1      1.547 ppm2      1.193
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      3.300     3.300     0.000 peak  4064 weight  0.10000E+01 volume  0.25870E+01 ppm1      2.798 ppm2      1.407
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  8139 weight  0.10000E+01 volume  0.24670E+01 ppm1      2.799 ppm2      1.374
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4063 weight  0.10000E+01 volume  0.10710E+01 ppm1      2.800 ppm2      1.193
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4022 weight  0.10000E+01 volume  0.18550E+01 ppm1      1.377 ppm2      1.784
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  8113 weight  0.10000E+01 volume  0.39840E+01 ppm1      1.375 ppm2      1.722
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4030 weight  0.10000E+01 volume  0.17570E+01 ppm1      1.188 ppm2      1.722
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      2.700     2.700     0.000 peak  4028 weight  0.10000E+01 volume  0.51230E+01 ppm1      1.188 ppm2      1.404
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  4021 weight  0.10000E+01 volume  0.32220E+01 ppm1      1.377 ppm2      1.195
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  1786 weight  0.10000E+01 volume  0.29680E+01 ppm1      4.301 ppm2      2.716
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  1784 weight  0.10000E+01 volume  0.27910E+01 ppm1      4.301 ppm2      2.673
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4082 weight  0.10000E+01 volume  0.31850E+01 ppm1      4.001 ppm2      1.424
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4125 weight  0.10000E+01 volume  0.53000E+00 ppm1      3.360 ppm2      1.519
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4127 weight  0.10000E+01 volume  0.47500E+00 ppm1      3.358 ppm2      1.866
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8649 weight  0.10000E+01 volume  0.62100E+00 ppm1      3.359 ppm2      2.031
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4122 weight  0.10000E+01 volume  0.44700E+00 ppm1      3.359 ppm2      0.442
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4139 weight  0.10000E+01 volume  0.24800E+01 ppm1      1.855 ppm2      1.519
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4149 weight  0.10000E+01 volume  0.89800E+00 ppm1      1.513 ppm2      2.024
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4140 weight  0.10000E+01 volume  0.11080E+01 ppm1      1.854 ppm2      2.025
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5822 weight  0.10000E+01 volume  0.44600E+00 ppm1      1.746 ppm2      3.367
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5821 weight  0.10000E+01 volume  0.19760E+01 ppm1      1.748 ppm2      1.500
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  8218 weight  0.10000E+01 volume  0.29870E+01 ppm1      1.752 ppm2      2.030
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5817 weight  0.10000E+01 volume  0.10910E+01 ppm1      1.747 ppm2      0.438
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4170 weight  0.10000E+01 volume  0.10950E+01 ppm1      0.432 ppm2      1.518
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4173 weight  0.10000E+01 volume  0.96500E+00 ppm1      0.430 ppm2      1.862
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  4174 weight  0.10000E+01 volume  0.34270E+01 ppm1      0.433 ppm2      2.035
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4182 weight  0.10000E+01 volume  0.29130E+01 ppm1      4.062 ppm2      2.144
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4184 weight  0.10000E+01 volume  0.73500E+00 ppm1      4.058 ppm2      2.515
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  4216 weight  0.10000E+01 volume  0.41560E+01 ppm1      2.125 ppm2      2.310
 ASSI (
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4208 weight  0.10000E+01 volume  0.16330E+01 ppm1      2.307 ppm2      4.075
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4195 weight  0.10000E+01 volume  0.22610E+01 ppm1      2.509 ppm2      2.138
 ASSI (
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "63  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  4205 weight  0.10000E+01 volume  0.74380E+01 ppm1      2.307 ppm2      2.513
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4232 weight  0.10000E+01 volume  0.49600E+00 ppm1      4.196 ppm2      3.358
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4233 weight  0.10000E+01 volume  0.38800E+00 ppm1      4.198 ppm2      3.283
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4261 weight  0.10000E+01 volume  0.14590E+01 ppm1      4.032 ppm2      1.697
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4264 weight  0.10000E+01 volume  0.17130E+01 ppm1      4.031 ppm2      2.118
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      2.700     2.700     0.000 peak  4259 weight  0.10000E+01 volume  0.34360E+01 ppm1      4.031 ppm2      0.762
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  4262 weight  0.10000E+01 volume  0.12840E+01 ppm1      4.032 ppm2      1.872
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4273 weight  0.10000E+01 volume  0.25230E+01 ppm1      2.110 ppm2      1.695
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      3.300     3.300     0.000 peak  4282 weight  0.10000E+01 volume  0.17270E+01 ppm1      1.690 ppm2      0.829
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      3.300     3.300     0.000 peak  4271 weight  0.10000E+01 volume  0.15370E+01 ppm1      2.110 ppm2      0.829
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4272 weight  0.10000E+01 volume  0.13940E+01 ppm1      2.109 ppm2      0.760
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  4274 weight  0.10000E+01 volume  0.11410E+01 ppm1      2.109 ppm2      1.865
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      2.700     2.700     0.000 peak  4311 weight  0.10000E+01 volume  0.22144E+02 ppm1      0.818 ppm2      0.760
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  4315 weight  0.10000E+01 volume  0.22620E+01 ppm1      0.818 ppm2      1.883
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8298 weight  0.10000E+01 volume  0.42550E+01 ppm1      0.756 ppm2      1.693
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4297 weight  0.10000E+01 volume  0.19280E+01 ppm1      1.866 ppm2      1.696
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      3.300     3.300     0.000 peak  4294 weight  0.10000E+01 volume  0.25210E+01 ppm1      1.866 ppm2      0.761
 ASSI (
     (segid "    " and resid "66  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4504 weight  0.10000E+01 volume  0.20860E+01 ppm1      4.524 ppm2      2.687
 ASSI (
     (segid "    " and resid "66  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4503 weight  0.10000E+01 volume  0.12670E+01 ppm1      4.524 ppm2      2.889
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "66  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4340 weight  0.10000E+01 volume  0.38350E+01 ppm1      2.889 ppm2      2.687
 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4353 weight  0.10000E+01 volume  0.36100E+01 ppm1      4.112 ppm2      1.886
 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4355 weight  0.10000E+01 volume  0.37700E+00 ppm1      4.112 ppm2      3.150
 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4352 weight  0.10000E+01 volume  0.12550E+01 ppm1      4.113 ppm2      1.813
 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4351 weight  0.10000E+01 volume  0.12760E+01 ppm1      4.111 ppm2      1.642
 ASSI (
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4361 weight  0.10000E+01 volume  0.11720E+01 ppm1      1.878 ppm2      3.150
 ASSI (
     (segid "    " and resid "67  " and name "HG1 ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4354 weight  0.10000E+01 volume  0.90300E+00 ppm1      1.797 ppm2      3.153
 ASSI (
     (segid "    " and resid "67  " and name "HG2 ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4358 weight  0.10000E+01 volume  0.12150E+01 ppm1      1.636 ppm2      3.149
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "68  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4367 weight  0.10000E+01 volume  0.19610E+01 ppm1      4.088 ppm2      2.124
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4366 weight  0.10000E+01 volume  0.15700E+01 ppm1      4.089 ppm2      2.035
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "68  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4368 weight  0.10000E+01 volume  0.11310E+01 ppm1      4.090 ppm2      2.324
 ASSI (
     (segid "    " and resid "68  " and name "HG2 ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4382 weight  0.10000E+01 volume  0.16330E+01 ppm1      2.275 ppm2      4.094
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4388 weight  0.10000E+01 volume  0.48730E+01 ppm1      4.219 ppm2      1.515
 ASSI (
     (segid "    " and resid "70  " and name "HA  ")
 )(
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4399 weight  0.10000E+01 volume  0.89550E+01 ppm1      4.212 ppm2      1.431
 ASSI (
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
 )(
     (segid "    " and resid "71  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  1853 weight  0.10000E+01 volume  0.10675E+02 ppm1      1.412 ppm2      4.223
 ASSI (
     (segid "    " and resid "72  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )
      5.000     5.000     0.000 peak  1954 weight  0.10000E+01 volume  0.67400E+00 ppm1      4.312 ppm2      0.924
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4403 weight  0.10000E+01 volume  0.14600E+01 ppm1      1.738 ppm2      4.323
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4405 weight  0.10000E+01 volume  0.13080E+01 ppm1      1.616 ppm2      4.315
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )
      3.300     3.300     0.000 peak  4564 weight  0.10000E+01 volume  0.15690E+01 ppm1      1.738 ppm2      0.932
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )
      5.000     5.000     0.000 peak  4566 weight  0.10000E+01 volume  0.12330E+01 ppm1      1.611 ppm2      0.932
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )
      3.300     3.300     0.000 peak  4565 weight  0.10000E+01 volume  0.18830E+01 ppm1      1.738 ppm2      0.871
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4567 weight  0.10000E+01 volume  0.11940E+01 ppm1      1.612 ppm2      0.869
 ASSI (
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4412 weight  0.10000E+01 volume  0.21830E+01 ppm1      0.865 ppm2      4.320
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4407 weight  0.10000E+01 volume  0.43100E+00 ppm1      1.707 ppm2      4.316
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8625 weight  0.10000E+01 volume  0.23392E+02 ppm1      1.707 ppm2      1.744
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  8624 weight  0.10000E+01 volume  0.31400E+01 ppm1      1.707 ppm2      1.625
 ASSI (
     (segid "    " and resid "73  " and name "HB  ")
 )(
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4418 weight  0.10000E+01 volume  0.15930E+01 ppm1      4.222 ppm2      1.194
 ASSI (
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )(
     (segid "    " and resid "73  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4422 weight  0.10000E+01 volume  0.18110E+01 ppm1      1.187 ppm2      4.310
 ASSI (
     (segid "    " and resid "74  " and name "HA  ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1858 weight  0.10000E+01 volume  0.87300E+00 ppm1      4.327 ppm2      1.605
 ASSI (
     (segid "    " and resid "74  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4430 weight  0.10000E+01 volume  0.58900E+00 ppm1      1.847 ppm2      4.337
 ASSI (
     (segid "    " and resid "74  " and name "HB2 ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4434 weight  0.10000E+01 volume  0.60600E+00 ppm1      1.768 ppm2      4.338
 ASSI (
     (segid "    " and resid "74  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  4428 weight  0.10000E+01 volume  0.48920E+01 ppm1      1.846 ppm2      1.598
 ASSI (
     (segid "    " and resid "74  " and name "HB2 ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  4432 weight  0.10000E+01 volume  0.48970E+01 ppm1      1.769 ppm2      1.596
 ASSI (
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )(
     (segid "    " and resid "74  " and name "HD2 ")
  OR 
     (segid "    " and resid "74  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4436 weight  0.10000E+01 volume  0.72000E+00 ppm1      1.608 ppm2      3.167
 ASSI (
     (segid "    " and resid "5   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5108 weight  0.10000E+01 volume  0.54700E+00 ppm1      8.149 ppm2      4.154
 ASSI (
     (segid "    " and resid "5   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5105 weight  0.10000E+01 volume  0.94500E+00 ppm1      8.148 ppm2      2.017
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "6   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5130 weight  0.10000E+01 volume  0.59100E+00 ppm1      8.335 ppm2      4.271
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      2.700     2.700     0.000 peak  4715 weight  0.10000E+01 volume  0.45500E+01 ppm1      8.398 ppm2      4.250
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5298 weight  0.10000E+01 volume  0.88700E+00 ppm1      8.481 ppm2      4.597
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4573 weight  0.10000E+01 volume  0.62300E+00 ppm1      9.149 ppm2      4.437
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4886 weight  0.10000E+01 volume  0.11020E+01 ppm1      7.691 ppm2      4.211
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5119 weight  0.10000E+01 volume  0.79000E+00 ppm1      8.204 ppm2      4.481
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5574 weight  0.10000E+01 volume  0.95500E+00 ppm1      8.200 ppm2      5.044
 ASSI (
     (segid "    " and resid "13  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5205 weight  0.10000E+01 volume  0.13000E+00 ppm1      9.323 ppm2      4.357
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5545 weight  0.10000E+01 volume  0.72800E+00 ppm1      8.099 ppm2      4.469
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5249 weight  0.10000E+01 volume  0.94800E+00 ppm1      8.821 ppm2      4.814
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4779 weight  0.10000E+01 volume  0.10110E+01 ppm1      9.071 ppm2      4.464
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  1884 weight  0.10000E+01 volume  0.24320E+01 ppm1      7.788 ppm2      4.533
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5555 weight  0.10000E+01 volume  0.12400E+01 ppm1      8.040 ppm2      3.666
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5280 weight  0.10000E+01 volume  0.20720E+01 ppm1      8.430 ppm2      4.151
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4831 weight  0.10000E+01 volume  0.11510E+01 ppm1      7.738 ppm2      4.229
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1886 weight  0.10000E+01 volume  0.12350E+01 ppm1      7.697 ppm2      4.674
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5265 weight  0.10000E+01 volume  0.19540E+01 ppm1      8.824 ppm2      4.672
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5008 weight  0.10000E+01 volume  0.98200E+00 ppm1      7.673 ppm2      4.985
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5067 weight  0.10000E+01 volume  0.68300E+00 ppm1      7.850 ppm2      5.891
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4696 weight  0.10000E+01 volume  0.11560E+01 ppm1      8.702 ppm2      4.469
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5209 weight  0.10000E+01 volume  0.93000E+00 ppm1      8.688 ppm2      4.726
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5373 weight  0.10000E+01 volume  0.10190E+01 ppm1      7.977 ppm2      4.227
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4628 weight  0.10000E+01 volume  0.12510E+01 ppm1      8.766 ppm2      4.089
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5501 weight  0.10000E+01 volume  0.18590E+01 ppm1      8.059 ppm2      4.340
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5044 weight  0.10000E+01 volume  0.11930E+01 ppm1      7.635 ppm2      5.021
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      3.300     3.300     0.000 peak  5342 weight  0.10000E+01 volume  0.16350E+01 ppm1      8.340 ppm2      4.275
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      3.300     3.300     0.000 peak  5341 weight  0.10000E+01 volume  0.18980E+01 ppm1      8.340 ppm2      3.647
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5528 weight  0.10000E+01 volume  0.94800E+00 ppm1      8.030 ppm2      4.038
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5332 weight  0.10000E+01 volume  0.86100E+00 ppm1      8.307 ppm2      4.173
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4907 weight  0.10000E+01 volume  0.54300E+00 ppm1      9.040 ppm2      4.473
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4588 weight  0.10000E+01 volume  0.41900E+00 ppm1      9.347 ppm2      4.907
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5312 weight  0.10000E+01 volume  0.51700E+00 ppm1      8.552 ppm2      5.618
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4676 weight  0.10000E+01 volume  0.10340E+01 ppm1      8.954 ppm2      5.440
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4921 weight  0.10000E+01 volume  0.11440E+01 ppm1      8.647 ppm2      3.757
 ASSI (
     (segid "    " and resid "44  " and name "HE  ")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4992 weight  0.10000E+01 volume  0.76100E+00 ppm1      7.207 ppm2      3.173
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4814 weight  0.10000E+01 volume  0.11340E+01 ppm1      7.408 ppm2      4.253
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5351 weight  0.10000E+01 volume  0.36700E+01 ppm1      8.394 ppm2      4.402
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4969 weight  0.10000E+01 volume  0.25250E+01 ppm1      7.079 ppm2      4.397
 ASSI (
     (segid "    " and resid "47  " and name "HE  ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  5612 weight  0.10000E+01 volume  0.35500E+00 ppm1      7.084 ppm2      3.151
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5455 weight  0.10000E+01 volume  0.59000E+00 ppm1      7.854 ppm2      5.451
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4802 weight  0.10000E+01 volume  0.60900E+00 ppm1      8.976 ppm2      4.682
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4959 weight  0.10000E+01 volume  0.65200E+00 ppm1      9.220 ppm2      5.098
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4602 weight  0.10000E+01 volume  0.78900E+00 ppm1      9.812 ppm2      4.839
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1938 weight  0.10000E+01 volume  0.11520E+01 ppm1      8.684 ppm2      4.749
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4750 weight  0.10000E+01 volume  0.17350E+01 ppm1      8.204 ppm2      3.990
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5032 weight  0.10000E+01 volume  0.11920E+01 ppm1      7.567 ppm2      4.138
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4617 weight  0.10000E+01 volume  0.98700E+00 ppm1      9.025 ppm2      3.592
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4658 weight  0.10000E+01 volume  0.13540E+01 ppm1      8.963 ppm2      4.439
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  4761 weight  0.10000E+01 volume  0.32040E+01 ppm1     10.308 ppm2      7.611
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5622 weight  0.10000E+01 volume  0.76900E+00 ppm1      6.179 ppm2      2.549
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5591 weight  0.10000E+01 volume  0.99700E+00 ppm1      7.295 ppm2      3.776
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4936 weight  0.10000E+01 volume  0.15940E+01 ppm1      8.702 ppm2      4.287
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4729 weight  0.10000E+01 volume  0.13110E+01 ppm1      8.073 ppm2      3.994
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4847 weight  0.10000E+01 volume  0.10680E+01 ppm1      8.242 ppm2      3.351
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4866 weight  0.10000E+01 volume  0.13490E+01 ppm1      7.704 ppm2      4.040
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5150 weight  0.10000E+01 volume  0.12540E+01 ppm1      8.534 ppm2      4.014
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5184 weight  0.10000E+01 volume  0.13110E+01 ppm1      8.923 ppm2      4.516
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5079 weight  0.10000E+01 volume  0.22360E+01 ppm1      7.908 ppm2      4.069
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5515 weight  0.10000E+01 volume  0.17680E+01 ppm1      7.936 ppm2      4.203
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "70  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5479 weight  0.10000E+01 volume  0.26480E+01 ppm1      7.866 ppm2      4.203
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5491 weight  0.10000E+01 volume  0.30020E+01 ppm1      7.782 ppm2      4.202
 ASSI (
     (segid "    " and resid "72  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5096 weight  0.10000E+01 volume  0.15270E+01 ppm1      7.837 ppm2      4.304
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "73  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5403 weight  0.10000E+01 volume  0.26780E+01 ppm1      7.868 ppm2      4.297
 ASSI (
     (segid "    " and resid "74  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5562 weight  0.10000E+01 volume  0.29400E+01 ppm1      8.162 ppm2      4.300
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "75  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5137 weight  0.10000E+01 volume  0.12650E+01 ppm1      8.440 ppm2      4.739
 ASSI (
     (segid "    " and resid "76  " and name "HN  ")
 )(
     (segid "    " and resid "76  " and name "HA2 ")
  OR 
     (segid "    " and resid "76  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  4840 weight  0.10000E+01 volume  0.44700E+00 ppm1      7.940 ppm2      3.709
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      6.000     6.000     0.000 peak  3196 weight  0.10000E+01 volume  0.23800E+00 ppm1      0.747 ppm2      6.787
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3200 weight  0.10000E+01 volume  0.78000E-01 ppm1      0.745 ppm2      7.818
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5730 weight  0.10000E+01 volume  0.31000E+00 ppm1      7.319 ppm2     -0.834
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5732 weight  0.10000E+01 volume  0.35100E+00 ppm1      7.319 ppm2      0.700
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5734 weight  0.10000E+01 volume  0.41400E+00 ppm1      7.319 ppm2      1.085
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5736 weight  0.10000E+01 volume  0.14100E+00 ppm1      7.319 ppm2      4.551
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5737 weight  0.10000E+01 volume  0.14700E+00 ppm1      7.320 ppm2      5.312
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  7262 weight  0.10000E+01 volume  0.10160E+01 ppm1      6.814 ppm2      1.742
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5669 weight  0.10000E+01 volume  0.19600E+00 ppm1      6.815 ppm2      0.442
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5670 weight  0.10000E+01 volume  0.63900E+00 ppm1      6.815 ppm2      0.719
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5671 weight  0.10000E+01 volume  0.65300E+00 ppm1      6.814 ppm2      0.819
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5672 weight  0.10000E+01 volume  0.23800E+00 ppm1      6.815 ppm2      1.520
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5674 weight  0.10000E+01 volume  0.40500E+00 ppm1      6.812 ppm2      1.881
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5675 weight  0.10000E+01 volume  0.72200E+00 ppm1      6.816 ppm2      2.112
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5678 weight  0.10000E+01 volume  0.69800E+00 ppm1      6.814 ppm2      3.365
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5679 weight  0.10000E+01 volume  0.12500E+00 ppm1      6.814 ppm2      4.050
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5680 weight  0.10000E+01 volume  0.32200E+00 ppm1      6.813 ppm2      4.503
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5684 weight  0.10000E+01 volume  0.13300E+00 ppm1      6.814 ppm2      7.864
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5685 weight  0.10000E+01 volume  0.16000E+00 ppm1      6.815 ppm2      8.529
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5686 weight  0.10000E+01 volume  0.32000E+00 ppm1      6.815 ppm2      8.909
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8400 weight  0.10000E+01 volume  0.46300E+00 ppm1      6.971 ppm2      0.717
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8402 weight  0.10000E+01 volume  0.59000E+00 ppm1      6.971 ppm2      0.757
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8404 weight  0.10000E+01 volume  0.47400E+00 ppm1      6.973 ppm2      0.808
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8409 weight  0.10000E+01 volume  0.34500E+00 ppm1      6.974 ppm2      1.876
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "21  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  8410 weight  0.10000E+01 volume  0.24100E+00 ppm1      6.974 ppm2      1.939
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "68  " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HB2 ")
  OR 
     (segid "    " and resid "24  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8411 weight  0.10000E+01 volume  0.97000E-01 ppm1      6.971 ppm2      2.128
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8413 weight  0.10000E+01 volume  0.27200E+00 ppm1      6.973 ppm2      3.294
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8415 weight  0.10000E+01 volume  0.35400E+00 ppm1      6.973 ppm2      3.357
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8419 weight  0.10000E+01 volume  0.91000E-01 ppm1      6.973 ppm2      8.528
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8417 weight  0.10000E+01 volume  0.26800E+00 ppm1      6.978 ppm2      4.037
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5746 weight  0.10000E+01 volume  0.46800E+00 ppm1      6.662 ppm2      0.712
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
  OR 
     (segid "    " and resid "24  " and name "HD23")
 )
      5.000     5.000     0.000 peak  5747 weight  0.10000E+01 volume  0.10220E+01 ppm1      6.665 ppm2      0.845
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5748 weight  0.10000E+01 volume  0.47300E+00 ppm1      6.663 ppm2      1.003
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5751 weight  0.10000E+01 volume  0.51500E+00 ppm1      6.664 ppm2      5.314
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      5.000     5.000     0.000 peak  5754 weight  0.10000E+01 volume  0.13050E+01 ppm1      6.666 ppm2      7.330
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5749 weight  0.10000E+01 volume  0.40600E+00 ppm1      6.662 ppm2      1.315
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HG11")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5750 weight  0.10000E+01 volume  0.50900E+00 ppm1      6.665 ppm2      1.423
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8418 weight  0.10000E+01 volume  0.89000E-01 ppm1      6.973 ppm2      4.199
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8420 weight  0.10000E+01 volume  0.64000E-01 ppm1      6.979 ppm2      8.135
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5744 weight  0.10000E+01 volume  0.11500E+00 ppm1      6.663 ppm2     -0.836
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8010 weight  0.10000E+01 volume  0.76000E-01 ppm1      6.667 ppm2      2.575
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "28  " and name "HE22")
  OR 
     (segid "    " and resid "9   " and name "HD22")
 )
      6.000     6.000     0.000 peak  3197 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.746 ppm2      6.863
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3189 weight  0.10000E+01 volume  0.21500E+00 ppm1      0.747 ppm2      3.001
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "39  " and name "HB  ")
  OR 
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3182 weight  0.10000E+01 volume  0.36200E+00 ppm1      0.742 ppm2      1.735
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
  OR 
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3183 weight  0.10000E+01 volume  0.37100E+00 ppm1      0.744 ppm2      2.152
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  3185 weight  0.10000E+01 volume  0.18000E+00 ppm1      0.746 ppm2      2.287
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3186 weight  0.10000E+01 volume  0.33500E+00 ppm1      0.746 ppm2      2.529
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3187 weight  0.10000E+01 volume  0.85500E+00 ppm1      0.746 ppm2      2.709
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3188 weight  0.10000E+01 volume  0.66800E+00 ppm1      0.747 ppm2      2.838
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "37  " and name "HA  ")
  OR 
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3191 weight  0.10000E+01 volume  0.11100E+00 ppm1      0.747 ppm2      4.225
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3192 weight  0.10000E+01 volume  0.42600E+00 ppm1      0.748 ppm2      4.495
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3195 weight  0.10000E+01 volume  0.10210E+01 ppm1      0.749 ppm2      5.123
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  3198 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.745 ppm2      7.293
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "28  " and name "HE21")
  OR 
     (segid "    " and resid "9   " and name "HD21")
 )
      6.000     6.000     0.000 peak  3199 weight  0.10000E+01 volume  0.13000E+00 ppm1      0.748 ppm2      7.579
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3201 weight  0.10000E+01 volume  0.28300E+00 ppm1      0.746 ppm2      7.972
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3203 weight  0.10000E+01 volume  0.36900E+00 ppm1      0.746 ppm2      8.685
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "39  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3204 weight  0.10000E+01 volume  0.15100E+00 ppm1      0.747 ppm2      9.018
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3205 weight  0.10000E+01 volume  0.58600E+00 ppm1      0.745 ppm2      9.345
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3206 weight  0.10000E+01 volume  0.40700E+00 ppm1      0.745 ppm2      9.430
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3207 weight  0.10000E+01 volume  0.31000E+00 ppm1      0.746 ppm2      9.811
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "12  " and name "HN  ")
  OR 
     (segid "    " and resid "11  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3202 weight  0.10000E+01 volume  0.86000E-01 ppm1      0.745 ppm2      8.200
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3190 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.747 ppm2      3.747
 ASSI (
     (segid "    " and resid "46  " and name "HD2 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8398 weight  0.10000E+01 volume  0.21200E+00 ppm1      7.168 ppm2      4.268
 ASSI (
     (segid "    " and resid "26  " and name "HD2 ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
  OR 
     (segid "    " and resid "25  " and name "HG23")
 )
      5.000     5.000     0.000 peak  5839 weight  0.10000E+01 volume  0.36400E+00 ppm1      7.302 ppm2      0.711
 ASSI (
     (segid "    " and resid "26  " and name "HD2 ")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      6.000     6.000     0.000 peak  5840 weight  0.10000E+01 volume  0.12900E+00 ppm1      7.304 ppm2      1.078
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5714 weight  0.10000E+01 volume  0.13200E+00 ppm1      7.323 ppm2     -0.837
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "19  " and name "HD11")
  OR 
     (segid "    " and resid "18  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5715 weight  0.10000E+01 volume  0.15100E+00 ppm1      7.322 ppm2      0.211
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5716 weight  0.10000E+01 volume  0.19400E+00 ppm1      7.324 ppm2      0.388
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
  OR 
     (segid "    " and resid "24  " and name "HD23")
 )
      6.000     6.000     0.000 peak  5718 weight  0.10000E+01 volume  0.24900E+00 ppm1      7.325 ppm2      0.827
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5720 weight  0.10000E+01 volume  0.51000E+00 ppm1      7.324 ppm2      1.427
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5721 weight  0.10000E+01 volume  0.26100E+00 ppm1      7.324 ppm2      2.566
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5725 weight  0.10000E+01 volume  0.16200E+00 ppm1      7.323 ppm2      5.309
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  5719 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.323 ppm2      1.298
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5755 weight  0.10000E+01 volume  0.17900E+00 ppm1      6.570 ppm2     -0.837
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5756 weight  0.10000E+01 volume  0.38100E+00 ppm1      6.570 ppm2      0.249
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      6.000     6.000     0.000 peak  5757 weight  0.10000E+01 volume  0.96000E-01 ppm1      6.568 ppm2      0.546
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5758 weight  0.10000E+01 volume  0.31400E+00 ppm1      6.572 ppm2      0.704
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5759 weight  0.10000E+01 volume  0.11640E+01 ppm1      6.570 ppm2      0.846
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5760 weight  0.10000E+01 volume  0.48500E+00 ppm1      6.571 ppm2      1.081
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  8024 weight  0.10000E+01 volume  0.40600E+00 ppm1      6.570 ppm2      1.315
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      5.000     5.000     0.000 peak  5766 weight  0.10000E+01 volume  0.14810E+01 ppm1      6.572 ppm2      7.331
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5762 weight  0.10000E+01 volume  0.31700E+00 ppm1      6.568 ppm2      5.310
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5702 weight  0.10000E+01 volume  0.17500E+00 ppm1      7.622 ppm2      2.255
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5699 weight  0.10000E+01 volume  0.11600E+00 ppm1      7.620 ppm2     -0.827
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5700 weight  0.10000E+01 volume  0.30900E+00 ppm1      7.621 ppm2      1.797
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5701 weight  0.10000E+01 volume  0.46800E+00 ppm1      7.621 ppm2      1.971
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5708 weight  0.10000E+01 volume  0.11800E+00 ppm1      7.619 ppm2      6.175
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
  OR 
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  5709 weight  0.10000E+01 volume  0.13700E+00 ppm1      7.622 ppm2      7.331
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5712 weight  0.10000E+01 volume  0.66400E+00 ppm1      7.622 ppm2      8.952
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5703 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.621 ppm2      2.449
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5706 weight  0.10000E+01 volume  0.84000E-01 ppm1      7.618 ppm2      4.157
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      3.300     3.300     0.000 peak  2246 weight  0.10000E+01 volume  0.25260E+01 ppm1      0.243 ppm2      0.853
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2247 weight  0.10000E+01 volume  0.57100E+00 ppm1      0.240 ppm2      1.002
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2565 weight  0.10000E+01 volume  0.32800E+00 ppm1      0.241 ppm2      1.083
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  8515 weight  0.10000E+01 volume  0.40110E+01 ppm1      0.247 ppm2      1.350
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      2.700     2.700     0.000 peak  8517 weight  0.10000E+01 volume  0.39120E+01 ppm1      0.245 ppm2      1.403
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2251 weight  0.10000E+01 volume  0.36000E+00 ppm1      0.241 ppm2      1.838
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2254 weight  0.10000E+01 volume  0.61800E+00 ppm1      0.241 ppm2      2.567
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2255 weight  0.10000E+01 volume  0.47700E+00 ppm1      0.240 ppm2      3.111
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2256 weight  0.10000E+01 volume  0.16100E+00 ppm1      0.242 ppm2      3.451
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2257 weight  0.10000E+01 volume  0.15700E+00 ppm1      0.242 ppm2      3.610
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2259 weight  0.10000E+01 volume  0.23300E+00 ppm1      0.241 ppm2      4.296
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2260 weight  0.10000E+01 volume  0.14600E+00 ppm1      0.243 ppm2      4.702
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2261 weight  0.10000E+01 volume  0.37100E+00 ppm1      0.242 ppm2      5.308
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  2263 weight  0.10000E+01 volume  0.31000E+00 ppm1      0.241 ppm2      6.676
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2264 weight  0.10000E+01 volume  0.11660E+01 ppm1      0.242 ppm2      7.139
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      5.000     5.000     0.000 peak  2265 weight  0.10000E+01 volume  0.31700E+00 ppm1      0.241 ppm2      7.315
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2266 weight  0.10000E+01 volume  0.11300E+00 ppm1      0.241 ppm2      8.964
 ASSI (
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5697 weight  0.10000E+01 volume  0.26000E+00 ppm1      7.223 ppm2      1.613
 ASSI (
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2052 weight  0.10000E+01 volume  0.72400E+00 ppm1      7.222 ppm2      1.359
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5695 weight  0.10000E+01 volume  0.27500E+00 ppm1      7.137 ppm2      8.970
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5694 weight  0.10000E+01 volume  0.10900E+00 ppm1      7.136 ppm2      5.472
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  1930 weight  0.10000E+01 volume  0.76100E+00 ppm1      7.138 ppm2      1.360
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "40  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
  OR 
     (segid "    " and resid "24  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5650 weight  0.10000E+01 volume  0.10500E+00 ppm1      6.703 ppm2      1.259
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5668 weight  0.10000E+01 volume  0.10900E+00 ppm1      6.703 ppm2      9.081
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5586 weight  0.10000E+01 volume  0.20500E+00 ppm1      6.703 ppm2      0.442
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5648 weight  0.10000E+01 volume  0.19390E+01 ppm1      6.703 ppm2      0.720
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      3.300     3.300     0.000 peak  5649 weight  0.10000E+01 volume  0.21290E+01 ppm1      6.704 ppm2      0.829
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5651 weight  0.10000E+01 volume  0.12000E+00 ppm1      6.704 ppm2      1.519
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  5652 weight  0.10000E+01 volume  0.77500E+00 ppm1      6.703 ppm2      1.705
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5653 weight  0.10000E+01 volume  0.40900E+00 ppm1      6.703 ppm2      1.869
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7244 weight  0.10000E+01 volume  0.34000E+00 ppm1      6.704 ppm2      2.023
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5654 weight  0.10000E+01 volume  0.74200E+00 ppm1      6.703 ppm2      2.125
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5657 weight  0.10000E+01 volume  0.49800E+00 ppm1      6.704 ppm2      3.365
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5658 weight  0.10000E+01 volume  0.12200E+00 ppm1      6.702 ppm2      4.050
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5659 weight  0.10000E+01 volume  0.57600E+00 ppm1      6.703 ppm2      4.489
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5660 weight  0.10000E+01 volume  0.18700E+00 ppm1      6.703 ppm2      4.992
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5664 weight  0.10000E+01 volume  0.44100E+00 ppm1      6.704 ppm2      7.859
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
  OR 
     (segid "    " and resid "42  " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5665 weight  0.10000E+01 volume  0.18800E+00 ppm1      6.703 ppm2      8.531
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5666 weight  0.10000E+01 volume  0.35700E+00 ppm1      6.702 ppm2      8.702
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5667 weight  0.10000E+01 volume  0.14900E+00 ppm1      6.703 ppm2      8.902
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2627 weight  0.10000E+01 volume  0.61600E+00 ppm1      0.697 ppm2      2.096
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2628 weight  0.10000E+01 volume  0.86100E+00 ppm1      0.700 ppm2      2.729
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2630 weight  0.10000E+01 volume  0.37300E+00 ppm1      0.700 ppm2      3.159
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2629 weight  0.10000E+01 volume  0.38800E+00 ppm1      0.700 ppm2      3.345
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2631 weight  0.10000E+01 volume  0.20250E+01 ppm1      0.700 ppm2      3.784
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2633 weight  0.10000E+01 volume  0.29000E+00 ppm1      0.698 ppm2      4.405
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2635 weight  0.10000E+01 volume  0.12500E+00 ppm1      0.697 ppm2      5.449
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2636 weight  0.10000E+01 volume  0.10300E+00 ppm1      0.698 ppm2      5.626
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "46  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HE  ")
 )
      6.000     6.000     0.000 peak  2637 weight  0.10000E+01 volume  0.19200E+00 ppm1      0.699 ppm2      7.180
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2638 weight  0.10000E+01 volume  0.40700E+00 ppm1      0.699 ppm2      7.307
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2640 weight  0.10000E+01 volume  0.41100E+00 ppm1      0.699 ppm2      7.675
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "46  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2643 weight  0.10000E+01 volume  0.11580E+01 ppm1      0.699 ppm2      8.473
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2641 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.698 ppm2      8.640
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2642 weight  0.10000E+01 volume  0.62400E+00 ppm1      0.700 ppm2      8.820
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2644 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.696 ppm2      8.947
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2639 weight  0.10000E+01 volume  0.10600E+00 ppm1      0.695 ppm2      7.419
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2883 weight  0.10000E+01 volume  0.16690E+01 ppm1      0.751 ppm2      1.023
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2054 weight  0.10000E+01 volume  0.12840E+01 ppm1      0.750 ppm2      1.572
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  1861 weight  0.10000E+01 volume  0.12900E+00 ppm1      0.749 ppm2      2.558
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1862 weight  0.10000E+01 volume  0.14600E+00 ppm1      0.750 ppm2      2.716
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1863 weight  0.10000E+01 volume  0.98000E-01 ppm1      0.750 ppm2      3.107
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "11  " and name "HA  ")
  OR 
     (segid "    " and resid "9   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1865 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.749 ppm2      4.476
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1866 weight  0.10000E+01 volume  0.53900E+00 ppm1      0.748 ppm2      4.699
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1867 weight  0.10000E+01 volume  0.12300E+00 ppm1      0.749 ppm2      5.086
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1868 weight  0.10000E+01 volume  0.17600E+00 ppm1      0.749 ppm2      5.469
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1869 weight  0.10000E+01 volume  0.19100E+00 ppm1      0.749 ppm2      7.691
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1870 weight  0.10000E+01 volume  0.16200E+00 ppm1      0.750 ppm2      7.851
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1871 weight  0.10000E+01 volume  0.64300E+00 ppm1      0.750 ppm2      8.197
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1872 weight  0.10000E+01 volume  0.20500E+00 ppm1      0.750 ppm2      8.971
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1873 weight  0.10000E+01 volume  0.27600E+00 ppm1      0.749 ppm2      9.215
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  6666 weight  0.10000E+01 volume  0.73000E-01 ppm1      0.750 ppm2      7.131
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5837 weight  0.10000E+01 volume  0.84000E-01 ppm1      1.750 ppm2     -0.843
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      3.300     3.300     0.000 peak  5816 weight  0.10000E+01 volume  0.15770E+01 ppm1      1.748 ppm2      0.224
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5818 weight  0.10000E+01 volume  0.27190E+01 ppm1      1.752 ppm2      0.672
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "39  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5819 weight  0.10000E+01 volume  0.11520E+01 ppm1      1.752 ppm2      1.261
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5825 weight  0.10000E+01 volume  0.27610E+01 ppm1      1.753 ppm2      3.795
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5824 weight  0.10000E+01 volume  0.71200E+00 ppm1      1.750 ppm2      3.915
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5826 weight  0.10000E+01 volume  0.24500E+00 ppm1      1.747 ppm2      4.050
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5827 weight  0.10000E+01 volume  0.20700E+00 ppm1      1.750 ppm2      4.495
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "29  " and name "HE22")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  5828 weight  0.10000E+01 volume  0.64600E+00 ppm1      1.750 ppm2      6.710
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5830 weight  0.10000E+01 volume  0.24800E+00 ppm1      1.750 ppm2      7.297
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "29  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3093 weight  0.10000E+01 volume  0.13700E+00 ppm1      1.750 ppm2      7.608
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3106 weight  0.10000E+01 volume  0.40000E+00 ppm1      1.748 ppm2      7.715
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5834 weight  0.10000E+01 volume  0.54100E+00 ppm1      1.747 ppm2      8.248
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5835 weight  0.10000E+01 volume  0.11000E+00 ppm1      1.749 ppm2      8.689
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
  OR 
     (segid "    " and resid "61  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5833 weight  0.10000E+01 volume  0.82000E-01 ppm1      1.746 ppm2      8.096
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "50  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1846 weight  0.10000E+01 volume  0.97000E-01 ppm1      0.715 ppm2      5.075
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  1839 weight  0.10000E+01 volume  0.47000E+00 ppm1      0.714 ppm2      2.709
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1844 weight  0.10000E+01 volume  0.17400E+00 ppm1      0.716 ppm2      4.733
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1845 weight  0.10000E+01 volume  0.12100E+00 ppm1      0.715 ppm2      4.915
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1849 weight  0.10000E+01 volume  0.14810E+01 ppm1      0.716 ppm2      7.692
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HN  ")
  OR 
     (segid "    " and resid "38  " and name "HN  ")
  OR 
     (segid "    " and resid "17  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1850 weight  0.10000E+01 volume  0.86000E-01 ppm1      0.713 ppm2      7.830
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "12  " and name "HN  ")
  OR 
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1851 weight  0.10000E+01 volume  0.57200E+00 ppm1      0.714 ppm2      8.198
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1852 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.713 ppm2      9.149
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG12")
 )
      2.700     2.700     0.000 peak  6656 weight  0.10000E+01 volume  0.76700E+01 ppm1      0.713 ppm2      0.836
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      6.000     6.000     0.000 peak  1847 weight  0.10000E+01 volume  0.10900E+00 ppm1      0.715 ppm2      6.802
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1843 weight  0.10000E+01 volume  0.34100E+00 ppm1      0.715 ppm2      4.480
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2353 weight  0.10000E+01 volume  0.12730E+01 ppm1      0.742 ppm2      0.994
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  1879 weight  0.10000E+01 volume  0.37210E+01 ppm1      0.745 ppm2      1.357
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  2317 weight  0.10000E+01 volume  0.17300E+01 ppm1      0.737 ppm2      1.804
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  2281 weight  0.10000E+01 volume  0.69300E+00 ppm1      0.737 ppm2      1.914
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HB  ")
  OR 
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2314 weight  0.10000E+01 volume  0.87900E+00 ppm1      0.739 ppm2      1.978
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2235 weight  0.10000E+01 volume  0.11730E+01 ppm1      0.745 ppm2      3.607
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG23")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
  OR 
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8501 weight  0.10000E+01 volume  0.26200E+00 ppm1      0.741 ppm2      3.680
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2238 weight  0.10000E+01 volume  0.97000E-01 ppm1      0.742 ppm2      4.862
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2239 weight  0.10000E+01 volume  0.34200E+00 ppm1      0.745 ppm2      5.307
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      6.000     6.000     0.000 peak  2240 weight  0.10000E+01 volume  0.88000E-01 ppm1      0.745 ppm2      6.578
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2242 weight  0.10000E+01 volume  0.16200E+00 ppm1      0.742 ppm2      7.162
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  4095 weight  0.10000E+01 volume  0.42400E+00 ppm1      1.417 ppm2      0.227
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4096 weight  0.10000E+01 volume  0.21100E+00 ppm1      1.420 ppm2      0.428
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2404 weight  0.10000E+01 volume  0.17560E+01 ppm1      1.423 ppm2      0.719
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD11")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      3.300     3.300     0.000 peak  2403 weight  0.10000E+01 volume  0.25270E+01 ppm1      1.423 ppm2      0.810
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      3.300     3.300     0.000 peak  2374 weight  0.10000E+01 volume  0.23930E+01 ppm1      1.423 ppm2      0.994
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HG  ")
  OR 
     (segid "    " and resid "21  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3175 weight  0.10000E+01 volume  0.66100E+00 ppm1      1.421 ppm2      1.938
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4103 weight  0.10000E+01 volume  0.18560E+01 ppm1      1.420 ppm2      2.571
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8169 weight  0.10000E+01 volume  0.20900E+00 ppm1      1.416 ppm2      3.285
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  4117 weight  0.10000E+01 volume  0.30940E+01 ppm1      1.425 ppm2      8.072
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4118 weight  0.10000E+01 volume  0.11420E+01 ppm1      1.416 ppm2      8.253
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4121 weight  0.10000E+01 volume  0.12100E+00 ppm1      1.418 ppm2      8.531
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4114 weight  0.10000E+01 volume  0.10400E+00 ppm1      1.417 ppm2      6.173
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  4115 weight  0.10000E+01 volume  0.42500E+00 ppm1      1.419 ppm2      6.676
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4108 weight  0.10000E+01 volume  0.66200E+00 ppm1      1.419 ppm2      3.356
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4094 weight  0.10000E+01 volume  0.27900E+00 ppm1      1.416 ppm2     -0.838
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4104 weight  0.10000E+01 volume  0.52900E+00 ppm1      1.420 ppm2      2.700
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4119 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.419 ppm2      7.703
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4120 weight  0.10000E+01 volume  0.23600E+00 ppm1      1.418 ppm2      8.690
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4109 weight  0.10000E+01 volume  0.24300E+00 ppm1      1.417 ppm2      3.683
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2609 weight  0.10000E+01 volume  0.45500E+00 ppm1      0.721 ppm2      3.180
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2610 weight  0.10000E+01 volume  0.23460E+01 ppm1      0.724 ppm2      3.784
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2613 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.723 ppm2      5.448
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2614 weight  0.10000E+01 volume  0.49800E+00 ppm1      0.726 ppm2      7.670
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2615 weight  0.10000E+01 volume  0.97300E+00 ppm1      0.724 ppm2      8.663
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2616 weight  0.10000E+01 volume  0.90600E+00 ppm1      0.724 ppm2      8.816
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2626 weight  0.10000E+01 volume  0.22170E+01 ppm1      0.725 ppm2      1.578
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG21")
  OR 
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "62  " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3057 weight  0.10000E+01 volume  0.28300E+00 ppm1      0.716 ppm2      3.358
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3058 weight  0.10000E+01 volume  0.25600E+00 ppm1      0.714 ppm2      3.914
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2623 weight  0.10000E+01 volume  0.55900E+00 ppm1      0.716 ppm2      0.434
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  2665 weight  0.10000E+01 volume  0.33610E+01 ppm1      0.710 ppm2      1.664
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  3047 weight  0.10000E+01 volume  0.84000E-01 ppm1      0.712 ppm2     -0.827
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3046 weight  0.10000E+01 volume  0.10260E+01 ppm1      0.714 ppm2      0.218
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3054 weight  0.10000E+01 volume  0.10470E+01 ppm1      0.714 ppm2      2.565
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3056 weight  0.10000E+01 volume  0.13590E+01 ppm1      0.714 ppm2      2.829
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3059 weight  0.10000E+01 volume  0.17300E+00 ppm1      0.715 ppm2      4.051
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3061 weight  0.10000E+01 volume  0.35200E+00 ppm1      0.715 ppm2      4.973
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3062 weight  0.10000E+01 volume  0.44000E+00 ppm1      0.714 ppm2      5.909
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  3065 weight  0.10000E+01 volume  0.15640E+01 ppm1      0.711 ppm2      6.713
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3064 weight  0.10000E+01 volume  0.39500E+00 ppm1      0.712 ppm2      6.818
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3069 weight  0.10000E+01 volume  0.57200E+00 ppm1      0.713 ppm2      9.046
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3070 weight  0.10000E+01 volume  0.11450E+01 ppm1      0.713 ppm2      9.346
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3071 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.712 ppm2      9.813
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
  OR 
     (segid "    " and resid "53  " and name "HB1 ")
  OR 
     (segid "    " and resid "29  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2645 weight  0.10000E+01 volume  0.10300E+01 ppm1      0.719 ppm2      2.027
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3658 weight  0.10000E+01 volume  0.33800E+00 ppm1      1.413 ppm2      3.961
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2861 weight  0.10000E+01 volume  0.17400E+00 ppm1      1.414 ppm2      7.624
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2863 weight  0.10000E+01 volume  0.80600E+00 ppm1      1.416 ppm2      8.054
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2862 weight  0.10000E+01 volume  0.24830E+01 ppm1      1.413 ppm2      8.755
 ASSI (
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
  OR 
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3243 weight  0.10000E+01 volume  0.38600E+00 ppm1      1.509 ppm2      4.082
 ASSI (
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4395 weight  0.10000E+01 volume  0.11370E+01 ppm1      1.507 ppm2      4.535
 ASSI (
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
     (segid "    " and resid "70  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4397 weight  0.10000E+01 volume  0.15800E+01 ppm1      1.507 ppm2      7.842
 ASSI (
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  4396 weight  0.10000E+01 volume  0.50180E+01 ppm1      1.510 ppm2      7.933
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2424 weight  0.10000E+01 volume  0.35400E+00 ppm1      1.332 ppm2      2.287
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2423 weight  0.10000E+01 volume  0.12900E+00 ppm1      1.337 ppm2      3.684
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2426 weight  0.10000E+01 volume  0.13100E+01 ppm1      1.335 ppm2      7.721
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2427 weight  0.10000E+01 volume  0.27100E+00 ppm1      1.337 ppm2      8.038
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  2428 weight  0.10000E+01 volume  0.39950E+01 ppm1      1.341 ppm2      8.432
 ASSI (
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
  OR 
     (segid "    " and resid "72  " and name "HA  ")
  OR 
     (segid "    " and resid "33  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3669 weight  0.10000E+01 volume  0.78300E+00 ppm1      1.416 ppm2      4.360
 ASSI (
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
 )(
     (segid "    " and resid "71  " and name "HN  ")
  OR 
     (segid "    " and resid "70  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  4401 weight  0.10000E+01 volume  0.78820E+01 ppm1      1.431 ppm2      7.842
 ASSI (
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
  OR 
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HD2 ")
  OR 
     (segid "    " and resid "74  " and name "HD1 ")
  OR 
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3245 weight  0.10000E+01 volume  0.27700E+00 ppm1      1.416 ppm2      3.169
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  1836 weight  0.10000E+01 volume  0.62390E+01 ppm1      1.421 ppm2      4.115
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3160 weight  0.10000E+01 volume  0.91000E-01 ppm1      0.827 ppm2      3.103
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2444 weight  0.10000E+01 volume  0.12250E+01 ppm1      0.828 ppm2      1.572
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3159 weight  0.10000E+01 volume  0.17700E+00 ppm1      0.829 ppm2      2.830
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3161 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.829 ppm2      4.481
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3165 weight  0.10000E+01 volume  0.57700E+00 ppm1      0.828 ppm2      5.464
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "28  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3170 weight  0.10000E+01 volume  0.12900E+00 ppm1      0.828 ppm2      7.582
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3169 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.831 ppm2      7.845
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3173 weight  0.10000E+01 volume  0.12300E+00 ppm1      0.829 ppm2      8.549
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3172 weight  0.10000E+01 volume  0.30500E+00 ppm1      0.829 ppm2      8.700
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3171 weight  0.10000E+01 volume  0.67000E+00 ppm1      0.830 ppm2      8.976
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3174 weight  0.10000E+01 volume  0.11340E+01 ppm1      0.829 ppm2      9.402
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3166 weight  0.10000E+01 volume  0.16900E+00 ppm1      0.826 ppm2      5.636
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3155 weight  0.10000E+01 volume  0.36000E+00 ppm1      0.828 ppm2      2.296
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3167 weight  0.10000E+01 volume  0.13500E+00 ppm1      0.830 ppm2      5.911
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
  OR 
     (segid "    " and resid "30  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3157 weight  0.10000E+01 volume  0.20200E+00 ppm1      0.827 ppm2      2.707
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3153 weight  0.10000E+01 volume  0.59100E+00 ppm1      0.827 ppm2      2.142
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "28  " and name "HE22")
 )
      6.000     6.000     0.000 peak  3168 weight  0.10000E+01 volume  0.11400E+00 ppm1      0.830 ppm2      6.852
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3158 weight  0.10000E+01 volume  0.20200E+00 ppm1      0.826 ppm2      2.573
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3164 weight  0.10000E+01 volume  0.30400E+00 ppm1      0.826 ppm2      5.122
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
  OR 
     (segid "    " and resid "36  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  3714 weight  0.10000E+01 volume  0.49880E+01 ppm1      1.922 ppm2      1.370
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5799 weight  0.10000E+01 volume  0.11700E+01 ppm1      1.918 ppm2      2.445
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5797 weight  0.10000E+01 volume  0.10660E+01 ppm1      1.918 ppm2      2.653
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5795 weight  0.10000E+01 volume  0.14190E+01 ppm1      1.917 ppm2      3.040
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5793 weight  0.10000E+01 volume  0.60300E+00 ppm1      1.917 ppm2      3.721
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
  OR 
     (segid "    " and resid "36  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5792 weight  0.10000E+01 volume  0.79600E+00 ppm1      1.917 ppm2      4.051
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5790 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.918 ppm2      4.342
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5789 weight  0.10000E+01 volume  0.33500E+00 ppm1      1.920 ppm2      4.474
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5788 weight  0.10000E+01 volume  0.49400E+00 ppm1      1.918 ppm2      4.648
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5787 weight  0.10000E+01 volume  0.34800E+00 ppm1      1.916 ppm2      5.095
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5784 weight  0.10000E+01 volume  0.13300E+00 ppm1      1.917 ppm2      7.807
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
  OR 
     (segid "    " and resid "12  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5782 weight  0.10000E+01 volume  0.10400E+00 ppm1      1.918 ppm2      8.187
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5781 weight  0.10000E+01 volume  0.12200E+00 ppm1      1.917 ppm2      8.294
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5780 weight  0.10000E+01 volume  0.23700E+00 ppm1      1.918 ppm2      8.673
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5779 weight  0.10000E+01 volume  0.41600E+00 ppm1      1.917 ppm2      8.811
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5783 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.915 ppm2      8.042
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5785 weight  0.10000E+01 volume  0.10700E+00 ppm1      1.916 ppm2      7.299
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
  OR 
     (segid "    " and resid "16  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5778 weight  0.10000E+01 volume  0.36600E+00 ppm1      1.918 ppm2      9.051
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5777 weight  0.10000E+01 volume  0.77000E-01 ppm1      1.916 ppm2      9.217
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5776 weight  0.10000E+01 volume  0.14200E+00 ppm1      1.916 ppm2      9.806
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2043 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.397 ppm2     -0.838
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      3.300     3.300     0.000 peak  2044 weight  0.10000E+01 volume  0.18080E+01 ppm1      1.397 ppm2      0.253
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2543 weight  0.10000E+01 volume  0.72200E+00 ppm1      1.397 ppm2      0.743
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2453 weight  0.10000E+01 volume  0.13840E+01 ppm1      1.397 ppm2      0.846
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2074 weight  0.10000E+01 volume  0.14600E+00 ppm1      1.396 ppm2     10.311
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2049 weight  0.10000E+01 volume  0.99600E+00 ppm1      1.394 ppm2      2.566
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2050 weight  0.10000E+01 volume  0.11900E+01 ppm1      1.394 ppm2      3.109
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2057 weight  0.10000E+01 volume  0.11400E+00 ppm1      1.396 ppm2      3.810
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2060 weight  0.10000E+01 volume  0.32300E+00 ppm1      1.396 ppm2      4.716
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2061 weight  0.10000E+01 volume  0.10880E+01 ppm1      1.395 ppm2      4.842
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2062 weight  0.10000E+01 volume  0.20100E+00 ppm1      1.397 ppm2      5.302
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      3.300     3.300     0.000 peak  2063 weight  0.10000E+01 volume  0.20230E+01 ppm1      1.396 ppm2      6.575
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  2064 weight  0.10000E+01 volume  0.40200E+00 ppm1      1.396 ppm2      6.684
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2065 weight  0.10000E+01 volume  0.63100E+00 ppm1      1.396 ppm2      7.140
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      3.300     3.300     0.000 peak  2066 weight  0.10000E+01 volume  0.18510E+01 ppm1      1.396 ppm2      7.326
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2067 weight  0.10000E+01 volume  0.15500E+00 ppm1      1.395 ppm2      7.488
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "17  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2068 weight  0.10000E+01 volume  0.33700E+00 ppm1      1.395 ppm2      7.781
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2069 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.396 ppm2      8.668
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2071 weight  0.10000E+01 volume  0.19680E+01 ppm1      1.399 ppm2      9.064
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2072 weight  0.10000E+01 volume  0.26400E+00 ppm1      1.395 ppm2      9.213
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2073 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.396 ppm2      9.807
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2070 weight  0.10000E+01 volume  0.14500E+00 ppm1      1.395 ppm2      8.954
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "4   " and name "HA1 ")
 )
      6.000     6.000     0.000 peak  1721 weight  0.10000E+01 volume  0.83000E-01 ppm1      0.878 ppm2      4.000
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "5   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1727 weight  0.10000E+01 volume  0.68200E+00 ppm1      0.880 ppm2      8.147
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "6   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1726 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.880 ppm2      8.332
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2402 weight  0.10000E+01 volume  0.12500E+00 ppm1      0.713 ppm2      2.299
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3967 weight  0.10000E+01 volume  0.71500E+00 ppm1      0.715 ppm2      1.343
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3668 weight  0.10000E+01 volume  0.80300E+00 ppm1      0.717 ppm2      1.431
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2406 weight  0.10000E+01 volume  0.10500E+00 ppm1      0.714 ppm2      2.710
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7036 weight  0.10000E+01 volume  0.50600E+00 ppm1      0.715 ppm2      3.290
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2407 weight  0.10000E+01 volume  0.60500E+00 ppm1      0.715 ppm2      3.359
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2409 weight  0.10000E+01 volume  0.81200E+00 ppm1      0.716 ppm2      4.005
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2410 weight  0.10000E+01 volume  0.73600E+00 ppm1      0.714 ppm2      4.164
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2411 weight  0.10000E+01 volume  0.27900E+00 ppm1      0.715 ppm2      6.979
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2412 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.714 ppm2      7.722
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2413 weight  0.10000E+01 volume  0.12330E+01 ppm1      0.716 ppm2      8.042
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2415 weight  0.10000E+01 volume  0.11380E+01 ppm1      0.716 ppm2      8.431
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2416 weight  0.10000E+01 volume  0.11500E+00 ppm1      0.714 ppm2      8.537
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
  OR 
     (segid "    " and resid "8   " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  1891 weight  0.10000E+01 volume  0.26600E+00 ppm1      1.008 ppm2      2.632
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  1896 weight  0.10000E+01 volume  0.77100E+00 ppm1      1.006 ppm2      4.279
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1900 weight  0.10000E+01 volume  0.19900E+00 ppm1      1.008 ppm2      8.038
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8455 weight  0.10000E+01 volume  0.37000E+00 ppm1      1.008 ppm2      3.812
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  1893 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.007 ppm2      3.018
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  1894 weight  0.10000E+01 volume  0.48600E+00 ppm1      1.008 ppm2      3.659
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1902 weight  0.10000E+01 volume  0.32400E+00 ppm1      1.007 ppm2      8.329
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1899 weight  0.10000E+01 volume  0.56000E+00 ppm1      1.005 ppm2      5.042
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1901 weight  0.10000E+01 volume  0.12710E+01 ppm1      1.008 ppm2      8.197
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
  OR 
     (segid "    " and resid "8   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1892 weight  0.10000E+01 volume  0.27900E+00 ppm1      1.008 ppm2      2.943
 ASSI (
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )(
     (segid "    " and resid "6   " and name "HB  ")
  OR 
     (segid "    " and resid "4   " and name "HA1 ")
 )
      6.000     6.000     0.000 peak  1719 weight  0.10000E+01 volume  0.12800E+00 ppm1      0.879 ppm2      4.005
 ASSI (
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )(
     (segid "    " and resid "5   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1722 weight  0.10000E+01 volume  0.25400E+00 ppm1      0.879 ppm2      8.146
 ASSI (
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )(
     (segid "    " and resid "6   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1723 weight  0.10000E+01 volume  0.32000E+00 ppm1      0.878 ppm2      8.335
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3960 weight  0.10000E+01 volume  0.11100E+00 ppm1      0.212 ppm2      8.072
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2607 weight  0.10000E+01 volume  0.70300E+00 ppm1      0.215 ppm2      0.456
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  3942 weight  0.10000E+01 volume  0.21020E+01 ppm1      0.212 ppm2      0.717
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2612 weight  0.10000E+01 volume  0.82400E+00 ppm1      0.216 ppm2      0.852
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3943 weight  0.10000E+01 volume  0.15520E+01 ppm1      0.213 ppm2      1.087
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  8062 weight  0.10000E+01 volume  0.42280E+01 ppm1      0.210 ppm2      1.753
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8071 weight  0.10000E+01 volume  0.81900E+00 ppm1      0.215 ppm2      2.022
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3950 weight  0.10000E+01 volume  0.84000E-01 ppm1      0.214 ppm2      3.358
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3951 weight  0.10000E+01 volume  0.22600E+00 ppm1      0.214 ppm2      3.787
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3952 weight  0.10000E+01 volume  0.18540E+01 ppm1      0.212 ppm2      3.914
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3953 weight  0.10000E+01 volume  0.28300E+00 ppm1      0.214 ppm2      4.047
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "57  " and name "HA  ")
  OR 
     (segid "    " and resid "39  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3954 weight  0.10000E+01 volume  0.14700E+00 ppm1      0.214 ppm2      4.488
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3955 weight  0.10000E+01 volume  0.98000E-01 ppm1      0.210 ppm2      4.821
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3956 weight  0.10000E+01 volume  0.59000E+00 ppm1      0.216 ppm2      6.172
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3958 weight  0.10000E+01 volume  0.57100E+00 ppm1      0.213 ppm2      7.299
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3959 weight  0.10000E+01 volume  0.15200E+00 ppm1      0.213 ppm2      7.565
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "62  " and name "HN  ")
  OR 
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3961 weight  0.10000E+01 volume  0.25800E+00 ppm1      0.211 ppm2      8.235
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "60  " and name "HN  ")
  OR 
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3962 weight  0.10000E+01 volume  0.18400E+00 ppm1      0.213 ppm2      8.676
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3963 weight  0.10000E+01 volume  0.15200E+00 ppm1      0.212 ppm2      9.031
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3957 weight  0.10000E+01 volume  0.10900E+00 ppm1      0.211 ppm2      6.691
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "11  " and name "HB  ")
  OR 
     (segid "    " and resid "4   " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  1736 weight  0.10000E+01 volume  0.13400E+00 ppm1      1.104 ppm2      3.898
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "11  " and name "HA  ")
  OR 
     (segid "    " and resid "9   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1739 weight  0.10000E+01 volume  0.13700E+00 ppm1      1.106 ppm2      4.441
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "6   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1740 weight  0.10000E+01 volume  0.57600E+00 ppm1      1.106 ppm2      8.347
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "7   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8427 weight  0.10000E+01 volume  0.33100E+00 ppm1      1.104 ppm2      8.430
 ASSI (
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )(
     (segid "    " and resid "73  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4425 weight  0.10000E+01 volume  0.67700E+00 ppm1      1.186 ppm2      7.872
 ASSI (
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4424 weight  0.10000E+01 volume  0.18200E+00 ppm1      1.186 ppm2      8.168
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2392 weight  0.10000E+01 volume  0.14690E+01 ppm1      0.811 ppm2      4.008
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2393 weight  0.10000E+01 volume  0.56000E+00 ppm1      0.811 ppm2      4.164
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3557 weight  0.10000E+01 volume  0.15950E+01 ppm1      0.806 ppm2      1.425
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2248 weight  0.10000E+01 volume  0.37400E+00 ppm1      0.804 ppm2      2.173
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2395 weight  0.10000E+01 volume  0.27100E+00 ppm1      0.810 ppm2      7.710
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2398 weight  0.10000E+01 volume  0.67100E+00 ppm1      0.813 ppm2      8.429
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2388 weight  0.10000E+01 volume  0.14700E+00 ppm1      0.805 ppm2      2.700
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "61  " and name "HN  ")
  OR 
     (segid "    " and resid "21  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2396 weight  0.10000E+01 volume  0.11500E+01 ppm1      0.805 ppm2      8.044
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2397 weight  0.10000E+01 volume  0.23100E+00 ppm1      0.810 ppm2      8.133
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2399 weight  0.10000E+01 volume  0.20000E+00 ppm1      0.812 ppm2      8.527
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7025 weight  0.10000E+01 volume  0.80700E+00 ppm1      0.808 ppm2      3.293
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2390 weight  0.10000E+01 volume  0.97900E+00 ppm1      0.808 ppm2      3.357
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
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      5.000     5.000     0.000 peak  3076 weight  0.10000E+01 volume  0.30700E+00 ppm1     -0.845 ppm2      0.712
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
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  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
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      5.000     5.000     0.000 peak  1993 weight  0.10000E+01 volume  0.58400E+00 ppm1     -0.844 ppm2      0.849
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
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      5.000     5.000     0.000 peak  3966 weight  0.10000E+01 volume  0.61600E+00 ppm1     -0.844 ppm2      1.410
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
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      5.000     5.000     0.000 peak  3969 weight  0.10000E+01 volume  0.12970E+01 ppm1     -0.843 ppm2      1.809
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
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     (segid "    " and resid "55  " and name "HB1 ")
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      5.000     5.000     0.000 peak  3970 weight  0.10000E+01 volume  0.86600E+00 ppm1     -0.843 ppm2      1.970
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      5.000     5.000     0.000 peak  3986 weight  0.10000E+01 volume  0.37200E+00 ppm1     -0.843 ppm2     10.308
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3971 weight  0.10000E+01 volume  0.27700E+00 ppm1     -0.845 ppm2      2.254
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      5.000     5.000     0.000 peak  3972 weight  0.10000E+01 volume  0.37600E+00 ppm1     -0.843 ppm2      2.444
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3974 weight  0.10000E+01 volume  0.14500E+00 ppm1     -0.845 ppm2      3.059
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3975 weight  0.10000E+01 volume  0.25500E+00 ppm1     -0.844 ppm2      3.912
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3976 weight  0.10000E+01 volume  0.10100E+00 ppm1     -0.842 ppm2      4.157
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      3.300     3.300     0.000 peak  3978 weight  0.10000E+01 volume  0.18340E+01 ppm1     -0.841 ppm2      6.173
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "59  " and name "HN  ")
  OR 
     (segid "    " and resid "57  " and name "HZ2 ")
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      5.000     5.000     0.000 peak  3981 weight  0.10000E+01 volume  0.10180E+01 ppm1     -0.842 ppm2      7.315
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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      5.000     5.000     0.000 peak  3982 weight  0.10000E+01 volume  0.50300E+00 ppm1     -0.844 ppm2      7.558
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "52  " and name "HN  ")
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      5.000     5.000     0.000 peak  3984 weight  0.10000E+01 volume  0.40800E+00 ppm1     -0.844 ppm2      8.675
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HN  ")
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      6.000     6.000     0.000 peak  3985 weight  0.10000E+01 volume  0.22200E+00 ppm1     -0.844 ppm2      8.960
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "46  " and name "HN  ")
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      6.000     6.000     0.000 peak  3584 weight  0.10000E+01 volume  0.72000E-01 ppm1      0.678 ppm2      8.398
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
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      5.000     5.000     0.000 peak  3355 weight  0.10000E+01 volume  0.87100E+00 ppm1      1.351 ppm2      0.256
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
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      3.300     3.300     0.000 peak  3384 weight  0.10000E+01 volume  0.23440E+01 ppm1      1.348 ppm2      0.746
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
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      2.700     2.700     0.000 peak  2417 weight  0.10000E+01 volume  0.31040E+01 ppm1      1.351 ppm2      0.796
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
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  OR 
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  OR 
     (segid "    " and resid "23  " and name "HB1 ")
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      3.300     3.300     0.000 peak  3356 weight  0.10000E+01 volume  0.17490E+01 ppm1      1.346 ppm2      1.722
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3368 weight  0.10000E+01 volume  0.16400E+00 ppm1      1.349 ppm2      3.152
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3369 weight  0.10000E+01 volume  0.16500E+00 ppm1      1.349 ppm2      4.262
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
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  OR 
     (segid "    " and resid "46  " and name "HA  ")
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      6.000     6.000     0.000 peak  3370 weight  0.10000E+01 volume  0.17000E+00 ppm1      1.349 ppm2      4.409
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HA  ")
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      5.000     5.000     0.000 peak  3372 weight  0.10000E+01 volume  0.54200E+00 ppm1      1.349 ppm2      4.693
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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      5.000     5.000     0.000 peak  3373 weight  0.10000E+01 volume  0.39300E+00 ppm1      1.348 ppm2      5.629
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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      5.000     5.000     0.000 peak  3378 weight  0.10000E+01 volume  0.39500E+00 ppm1      1.348 ppm2      7.393
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
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     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
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      6.000     6.000     0.000 peak  3379 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.349 ppm2      7.708
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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      6.000     6.000     0.000 peak  3380 weight  0.10000E+01 volume  0.10000E+00 ppm1      1.350 ppm2      8.396
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HN  ")
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      5.000     5.000     0.000 peak  3381 weight  0.10000E+01 volume  0.68900E+00 ppm1      1.349 ppm2      8.652
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HN  ")
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      6.000     6.000     0.000 peak  3382 weight  0.10000E+01 volume  0.20900E+00 ppm1      1.349 ppm2      8.801
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
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      5.000     5.000     0.000 peak  3383 weight  0.10000E+01 volume  0.14910E+01 ppm1      1.348 ppm2      8.954
 ASSI (
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  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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      3.300     3.300     0.000 peak  3572 weight  0.10000E+01 volume  0.17000E+01 ppm1      0.681 ppm2      2.105
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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      5.000     5.000     0.000 peak  3574 weight  0.10000E+01 volume  0.10520E+01 ppm1      0.681 ppm2      2.725
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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  OR 
     (segid "    " and resid "46  " and name "HA  ")
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      5.000     5.000     0.000 peak  3577 weight  0.10000E+01 volume  0.45500E+00 ppm1      0.679 ppm2      4.412
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
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     (segid "    " and resid "48  " and name "HD21")
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      3.300     3.300     0.000 peak  3578 weight  0.10000E+01 volume  0.18120E+01 ppm1      0.680 ppm2      5.634
 ASSI (
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  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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  OR 
     (segid "    " and resid "46  " and name "HD2 ")
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 ASSI (
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  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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      5.000     5.000     0.000 peak  3582 weight  0.10000E+01 volume  0.56700E+00 ppm1      0.680 ppm2      7.857
 ASSI (
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  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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      5.000     5.000     0.000 peak  3583 weight  0.10000E+01 volume  0.31200E+00 ppm1      0.679 ppm2      8.545
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
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      5.000     5.000     0.000 peak  3585 weight  0.10000E+01 volume  0.13920E+01 ppm1      0.682 ppm2      8.967
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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  OR 
     (segid "    " and resid "26  " and name "HB2 ")
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      6.000     6.000     0.000 peak  3575 weight  0.10000E+01 volume  0.19200E+00 ppm1      0.682 ppm2      3.140
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
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  OR 
     (segid "    " and resid "26  " and name "HB1 ")
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      6.000     6.000     0.000 peak  3576 weight  0.10000E+01 volume  0.17500E+00 ppm1      0.682 ppm2      3.352
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
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      6.000     6.000     0.000 peak  4542 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.757 ppm2      7.397
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
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     (segid "    " and resid "65  " and name "HD21")
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      5.000     5.000     0.000 peak  4537 weight  0.10000E+01 volume  0.11580E+01 ppm1      0.753 ppm2      4.697
 ASSI (
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     (segid "    " and resid "23  " and name "HD21")
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     (segid "    " and resid "44  " and name "HD1 ")
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      5.000     5.000     0.000 peak  2464 weight  0.10000E+01 volume  0.65600E+00 ppm1      0.815 ppm2      3.189
 ASSI (
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  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
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     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2465 weight  0.10000E+01 volume  0.19000E+00 ppm1      0.815 ppm2      3.446
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2466 weight  0.10000E+01 volume  0.98000E-01 ppm1      0.814 ppm2      3.603
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2469 weight  0.10000E+01 volume  0.14900E+00 ppm1      0.815 ppm2      4.862
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "45  " and name "HE22")
 )
      6.000     6.000     0.000 peak  2470 weight  0.10000E+01 volume  0.11600E+00 ppm1      0.814 ppm2      6.737
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "44  " and name "HE  ")
 )
      6.000     6.000     0.000 peak  2471 weight  0.10000E+01 volume  0.12600E+00 ppm1      0.814 ppm2      7.200
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2472 weight  0.10000E+01 volume  0.68100E+00 ppm1      0.816 ppm2      7.727
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2473 weight  0.10000E+01 volume  0.75000E-01 ppm1      0.818 ppm2      8.425
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2474 weight  0.10000E+01 volume  0.13100E+00 ppm1      0.813 ppm2      8.654
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  4539 weight  0.10000E+01 volume  0.34000E+00 ppm1      0.752 ppm2      6.842
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4540 weight  0.10000E+01 volume  0.71700E+00 ppm1      0.753 ppm2      7.686
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "68  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4541 weight  0.10000E+01 volume  0.53200E+00 ppm1      0.754 ppm2      7.875
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "66  " and name "HA  ")
  OR 
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4530 weight  0.10000E+01 volume  0.23100E+00 ppm1      0.751 ppm2      4.495
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
 )(
     (segid "    " and resid "65  " and name "HN  ")
  OR 
     (segid "    " and resid "42  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4532 weight  0.10000E+01 volume  0.14110E+01 ppm1      0.750 ppm2      8.540
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3269 weight  0.10000E+01 volume  0.12570E+01 ppm1      0.750 ppm2      6.702
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  4531 weight  0.10000E+01 volume  0.82800E+00 ppm1      0.748 ppm2      0.226
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3263 weight  0.10000E+01 volume  0.21890E+01 ppm1      0.751 ppm2      2.563
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  3264 weight  0.10000E+01 volume  0.16250E+01 ppm1      0.749 ppm2      2.824
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3266 weight  0.10000E+01 volume  0.93200E+00 ppm1      0.750 ppm2      5.907
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3268 weight  0.10000E+01 volume  0.44200E+00 ppm1      0.749 ppm2      8.700
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3267 weight  0.10000E+01 volume  0.43500E+00 ppm1      0.747 ppm2      9.403
 ASSI (
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )(
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "72  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4414 weight  0.10000E+01 volume  0.38500E+00 ppm1      0.864 ppm2      7.851
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3010 weight  0.10000E+01 volume  0.77400E+00 ppm1      1.369 ppm2      3.725
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      3.300     3.300     0.000 peak  3776 weight  0.10000E+01 volume  0.25140E+01 ppm1      1.371 ppm2      1.925
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7377 weight  0.10000E+01 volume  0.80200E+00 ppm1      1.369 ppm2      2.626
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG22")
 )
      5.000     5.000     0.000 peak  2997 weight  0.10000E+01 volume  0.13700E+01 ppm1      1.367 ppm2      0.747
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3004 weight  0.10000E+01 volume  0.15690E+01 ppm1      1.371 ppm2      2.536
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3005 weight  0.10000E+01 volume  0.88100E+00 ppm1      1.369 ppm2      2.717
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
  OR 
     (segid "    " and resid "15  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3006 weight  0.10000E+01 volume  0.72000E+00 ppm1      1.371 ppm2      2.842
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3007 weight  0.10000E+01 volume  0.76200E+00 ppm1      1.369 ppm2      3.035
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3008 weight  0.10000E+01 volume  0.43000E+00 ppm1      1.369 ppm2      4.184
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3011 weight  0.10000E+01 volume  0.40600E+00 ppm1      1.367 ppm2      4.494
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3014 weight  0.10000E+01 volume  0.78400E+00 ppm1      1.367 ppm2      5.113
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      5.000     5.000     0.000 peak  3016 weight  0.10000E+01 volume  0.32800E+00 ppm1      1.367 ppm2      6.773
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      5.000     5.000     0.000 peak  3017 weight  0.10000E+01 volume  0.44100E+00 ppm1      1.365 ppm2      7.298
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3018 weight  0.10000E+01 volume  0.12090E+01 ppm1      1.363 ppm2      7.817
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3019 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.365 ppm2      8.013
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
  OR 
     (segid "    " and resid "12  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3020 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.367 ppm2      8.188
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
  OR 
     (segid "    " and resid "30  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3022 weight  0.10000E+01 volume  0.28400E+00 ppm1      1.367 ppm2      8.679
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  3023 weight  0.10000E+01 volume  0.20450E+01 ppm1      1.365 ppm2      9.036
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3024 weight  0.10000E+01 volume  0.99200E+00 ppm1      1.364 ppm2      9.806
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3021 weight  0.10000E+01 volume  0.95000E-01 ppm1      1.363 ppm2      8.312
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3009 weight  0.10000E+01 volume  0.74100E+00 ppm1      1.369 ppm2      4.049
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
  OR 
     (segid "    " and resid "13  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3025 weight  0.10000E+01 volume  0.11100E+00 ppm1      1.365 ppm2      9.359
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3026 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.361 ppm2      9.203
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2140 weight  0.10000E+01 volume  0.13600E+00 ppm1      0.184 ppm2      4.136
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2141 weight  0.10000E+01 volume  0.36400E+00 ppm1      0.185 ppm2      5.312
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  2142 weight  0.10000E+01 volume  0.12300E+00 ppm1      0.188 ppm2      7.330
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2143 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.186 ppm2      7.496
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2131 weight  0.10000E+01 volume  0.27300E+00 ppm1      0.374 ppm2      7.496
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2129 weight  0.10000E+01 volume  0.36100E+00 ppm1      0.376 ppm2      5.311
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2139 weight  0.10000E+01 volume  0.13700E+00 ppm1      0.185 ppm2      3.501
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2128 weight  0.10000E+01 volume  0.18400E+00 ppm1      0.373 ppm2      3.510
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2127 weight  0.10000E+01 volume  0.13600E+00 ppm1      0.371 ppm2      3.219
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
  OR 
     (segid "    " and resid "40  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3678 weight  0.10000E+01 volume  0.13400E+00 ppm1      1.077 ppm2      9.402
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3663 weight  0.10000E+01 volume  0.11600E+00 ppm1      1.075 ppm2      3.911
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  3661 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.075 ppm2      2.846
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3664 weight  0.10000E+01 volume  0.97000E-01 ppm1      1.076 ppm2      4.049
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3665 weight  0.10000E+01 volume  0.14600E+00 ppm1      1.076 ppm2      4.306
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      2.700     2.700     0.000 peak  3647 weight  0.10000E+01 volume  0.32600E+01 ppm1      1.082 ppm2     -0.832
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2576 weight  0.10000E+01 volume  0.17270E+01 ppm1      1.080 ppm2      0.715
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      2.700     2.700     0.000 peak  2521 weight  0.10000E+01 volume  0.34060E+01 ppm1      1.079 ppm2      0.843
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      2.700     2.700     0.000 peak  2532 weight  0.10000E+01 volume  0.30200E+01 ppm1      1.080 ppm2      1.402
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
  OR 
     (segid "    " and resid "39  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  2604 weight  0.10000E+01 volume  0.20360E+01 ppm1      1.078 ppm2      1.665
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
  OR 
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2958 weight  0.10000E+01 volume  0.72800E+00 ppm1      1.078 ppm2      1.826
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2980 weight  0.10000E+01 volume  0.14300E+00 ppm1      1.077 ppm2      2.286
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
  OR 
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3659 weight  0.10000E+01 volume  0.32900E+00 ppm1      1.080 ppm2      2.459
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3660 weight  0.10000E+01 volume  0.60700E+00 ppm1      1.078 ppm2      2.566
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3662 weight  0.10000E+01 volume  0.25900E+00 ppm1      1.080 ppm2      3.070
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "16  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3666 weight  0.10000E+01 volume  0.18200E+00 ppm1      1.078 ppm2      4.487
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3670 weight  0.10000E+01 volume  0.38300E+00 ppm1      1.076 ppm2      5.123
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3671 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.075 ppm2      6.172
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  3673 weight  0.10000E+01 volume  0.32700E+00 ppm1      1.076 ppm2      6.679
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3675 weight  0.10000E+01 volume  0.11160E+01 ppm1      1.077 ppm2      8.675
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
  OR 
     (segid "    " and resid "16  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3677 weight  0.10000E+01 volume  0.54000E+00 ppm1      1.077 ppm2      9.046
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3679 weight  0.10000E+01 volume  0.14660E+01 ppm1      1.077 ppm2      9.808
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2538 weight  0.10000E+01 volume  0.12140E+01 ppm1      0.792 ppm2      0.252
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
  OR 
     (segid "    " and resid "24  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  2201 weight  0.10000E+01 volume  0.30820E+01 ppm1      0.795 ppm2      1.319
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2385 weight  0.10000E+01 volume  0.11610E+01 ppm1      0.795 ppm2      1.495
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2086 weight  0.10000E+01 volume  0.11360E+01 ppm1      0.795 ppm2      1.829
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2550 weight  0.10000E+01 volume  0.28500E+00 ppm1      0.791 ppm2      4.846
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2551 weight  0.10000E+01 volume  0.29600E+00 ppm1      0.791 ppm2      4.985
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2553 weight  0.10000E+01 volume  0.85000E+00 ppm1      0.790 ppm2      5.440
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      6.000     6.000     0.000 peak  2556 weight  0.10000E+01 volume  0.17200E+00 ppm1      0.792 ppm2      6.669
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2558 weight  0.10000E+01 volume  0.78200E+00 ppm1      0.793 ppm2      7.700
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2559 weight  0.10000E+01 volume  0.24900E+00 ppm1      0.791 ppm2      8.547
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2560 weight  0.10000E+01 volume  0.19500E+00 ppm1      0.793 ppm2      8.658
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2561 weight  0.10000E+01 volume  0.45000E+00 ppm1      0.794 ppm2      8.818
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2562 weight  0.10000E+01 volume  0.15800E+00 ppm1      0.791 ppm2      8.950
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2557 weight  0.10000E+01 volume  0.18400E+00 ppm1      0.793 ppm2      7.145
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2547 weight  0.10000E+01 volume  0.18300E+00 ppm1      0.790 ppm2      2.562
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2548 weight  0.10000E+01 volume  0.31500E+00 ppm1      0.793 ppm2      3.676
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2552 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.790 ppm2      4.150
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2555 weight  0.10000E+01 volume  0.76000E-01 ppm1      0.789 ppm2      5.632
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )(
     (segid "    " and resid "7   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1755 weight  0.10000E+01 volume  0.27200E+00 ppm1      1.293 ppm2      8.385
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1756 weight  0.10000E+01 volume  0.16200E+00 ppm1      1.294 ppm2      8.457
 ASSI (
     (segid "    " and resid "46  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2204 weight  0.10000E+01 volume  0.10100E+00 ppm1      3.330 ppm2      7.058
 ASSI (
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1969 weight  0.10000E+01 volume  0.22100E+00 ppm1      1.408 ppm2      3.826
 ASSI (
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )(
     (segid "    " and resid "14  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1971 weight  0.10000E+01 volume  0.16600E+00 ppm1      1.412 ppm2      8.096
 ASSI (
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1972 weight  0.10000E+01 volume  0.30600E+00 ppm1      1.411 ppm2      8.808
 ASSI (
     (segid "    " and resid "46  " and name "HB1 ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3479 weight  0.10000E+01 volume  0.33000E+00 ppm1      3.329 ppm2      8.401
 ASSI (
     (segid "    " and resid "46  " and name "HB2 ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2339 weight  0.10000E+01 volume  0.28300E+00 ppm1      3.596 ppm2      8.404
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
  OR 
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
  OR 
     (segid "    " and resid "20  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  1848 weight  0.10000E+01 volume  0.34200E+01 ppm1      0.872 ppm2      1.768
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2449 weight  0.10000E+01 volume  0.11710E+01 ppm1      0.870 ppm2      1.982
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2451 weight  0.10000E+01 volume  0.49700E+00 ppm1      0.869 ppm2      2.279
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
  OR 
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2455 weight  0.10000E+01 volume  0.12500E+00 ppm1      0.869 ppm2      3.179
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  2456 weight  0.10000E+01 volume  0.13000E+01 ppm1      0.871 ppm2      3.447
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2457 weight  0.10000E+01 volume  0.73500E+00 ppm1      0.871 ppm2      3.605
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2458 weight  0.10000E+01 volume  0.52000E+00 ppm1      0.871 ppm2      4.133
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2460 weight  0.10000E+01 volume  0.13700E+00 ppm1      0.868 ppm2      4.864
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2461 weight  0.10000E+01 volume  0.61900E+00 ppm1      0.871 ppm2      7.730
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2462 weight  0.10000E+01 volume  0.91000E-01 ppm1      0.874 ppm2      8.641
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2463 weight  0.10000E+01 volume  0.82000E-01 ppm1      0.873 ppm2      8.436
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "69  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4410 weight  0.10000E+01 volume  0.39900E+00 ppm1      0.920 ppm2      4.210
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )(
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "72  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4411 weight  0.10000E+01 volume  0.19500E+00 ppm1      0.922 ppm2      7.871
 ASSI (
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3783 weight  0.10000E+01 volume  0.10450E+01 ppm1      1.337 ppm2      8.208
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
  OR 
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3782 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.337 ppm2      7.567
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4033 weight  0.10000E+01 volume  0.25700E+00 ppm1      1.185 ppm2      3.613
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4037 weight  0.10000E+01 volume  0.85000E-01 ppm1      1.378 ppm2      6.168
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4036 weight  0.10000E+01 volume  0.72000E-01 ppm1      1.186 ppm2      6.167
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4024 weight  0.10000E+01 volume  0.33500E+00 ppm1      1.377 ppm2      3.618
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4038 weight  0.10000E+01 volume  0.65200E+00 ppm1      1.188 ppm2      7.296
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4026 weight  0.10000E+01 volume  0.74600E+00 ppm1      1.378 ppm2      7.296
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4039 weight  0.10000E+01 volume  0.12700E+00 ppm1      1.182 ppm2      8.688
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4027 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.376 ppm2      8.688
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
  OR 
     (segid "    " and resid "36  " and name "HG1 ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2961 weight  0.10000E+01 volume  0.17800E+00 ppm1      1.469 ppm2      4.371
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2967 weight  0.10000E+01 volume  0.23900E+00 ppm1      1.418 ppm2      4.373
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2969 weight  0.10000E+01 volume  0.50900E+00 ppm1      1.413 ppm2      8.030
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2968 weight  0.10000E+01 volume  0.20800E+00 ppm1      1.415 ppm2      8.305
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3767 weight  0.10000E+01 volume  0.34800E+00 ppm1      1.416 ppm2      1.923
 ASSI (
     (segid "    " and resid "36  " and name "HG2 ")
  OR 
     (segid "    " and resid "36  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3749 weight  0.10000E+01 volume  0.24700E+00 ppm1      1.467 ppm2      1.924
 ASSI (
     (segid "    " and resid "36  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2963 weight  0.10000E+01 volume  0.20100E+00 ppm1      1.470 ppm2      8.306
 ASSI (
     (segid "    " and resid "36  " and name "HG1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2962 weight  0.10000E+01 volume  0.51700E+00 ppm1      1.470 ppm2      8.029
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3559 weight  0.10000E+01 volume  0.75000E-01 ppm1      0.744 ppm2      4.238
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
  OR 
     (segid "    " and resid "9   " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3558 weight  0.10000E+01 volume  0.92800E+00 ppm1      0.743 ppm2      2.718
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3560 weight  0.10000E+01 volume  0.21600E+00 ppm1      0.744 ppm2      4.432
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "28  " and name "HE22")
 )
      6.000     6.000     0.000 peak  3563 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.743 ppm2      6.858
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "28  " and name "HE21")
  OR 
     (segid "    " and resid "9   " and name "HD21")
 )
      6.000     6.000     0.000 peak  3564 weight  0.10000E+01 volume  0.18100E+00 ppm1      0.743 ppm2      7.578
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3565 weight  0.10000E+01 volume  0.32700E+00 ppm1      0.743 ppm2      7.852
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3566 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.744 ppm2      8.969
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3562 weight  0.10000E+01 volume  0.10300E+00 ppm1      0.743 ppm2      5.633
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2578 weight  0.10000E+01 volume  0.27100E+00 ppm1      1.070 ppm2      1.959
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2594 weight  0.10000E+01 volume  0.18100E+00 ppm1      0.614 ppm2      1.974
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  2579 weight  0.10000E+01 volume  0.18600E+00 ppm1      1.068 ppm2      2.100
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  2595 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.614 ppm2      2.103
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  2580 weight  0.10000E+01 volume  0.25000E+00 ppm1      1.068 ppm2      2.727
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  2596 weight  0.10000E+01 volume  0.19100E+00 ppm1      0.614 ppm2      2.730
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2597 weight  0.10000E+01 volume  0.13600E+00 ppm1      0.614 ppm2      3.147
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2581 weight  0.10000E+01 volume  0.32700E+00 ppm1      1.069 ppm2      3.149
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2598 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.616 ppm2      3.356
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2582 weight  0.10000E+01 volume  0.36000E+00 ppm1      1.069 ppm2      3.356
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2583 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.068 ppm2      3.782
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2584 weight  0.10000E+01 volume  0.32400E+00 ppm1      1.071 ppm2      4.696
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "25  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2600 weight  0.10000E+01 volume  0.33300E+00 ppm1      0.615 ppm2      4.698
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2601 weight  0.10000E+01 volume  0.99000E-01 ppm1      0.613 ppm2      5.452
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2585 weight  0.10000E+01 volume  0.77000E-01 ppm1      1.070 ppm2      5.458
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2602 weight  0.10000E+01 volume  0.32000E+00 ppm1      0.612 ppm2      7.673
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2587 weight  0.10000E+01 volume  0.50900E+00 ppm1      1.068 ppm2      7.675
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2588 weight  0.10000E+01 volume  0.49000E+00 ppm1      1.071 ppm2      8.819
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2603 weight  0.10000E+01 volume  0.60700E+00 ppm1      0.616 ppm2      8.820
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
  OR 
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2509 weight  0.10000E+01 volume  0.81600E+00 ppm1      1.916 ppm2      0.744
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2514 weight  0.10000E+01 volume  0.65400E+00 ppm1      1.915 ppm2      3.681
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2516 weight  0.10000E+01 volume  0.99500E+00 ppm1      1.915 ppm2      7.702
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4307 weight  0.10000E+01 volume  0.12300E+00 ppm1      0.821 ppm2      0.439
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3143 weight  0.10000E+01 volume  0.87200E+00 ppm1      0.820 ppm2      1.290
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3156 weight  0.10000E+01 volume  0.67400E+00 ppm1      0.817 ppm2      1.421
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  2182 weight  0.10000E+01 volume  0.15690E+01 ppm1      0.818 ppm2      2.165
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4319 weight  0.10000E+01 volume  0.76400E+00 ppm1      0.816 ppm2      2.564
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4321 weight  0.10000E+01 volume  0.49200E+00 ppm1      0.818 ppm2      2.835
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4322 weight  0.10000E+01 volume  0.11000E+00 ppm1      0.819 ppm2      3.142
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4323 weight  0.10000E+01 volume  0.84500E+00 ppm1      0.817 ppm2      3.362
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4325 weight  0.10000E+01 volume  0.22400E+00 ppm1      0.817 ppm2      4.694
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4326 weight  0.10000E+01 volume  0.61900E+00 ppm1      0.817 ppm2      4.999
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4327 weight  0.10000E+01 volume  0.21800E+00 ppm1      0.819 ppm2      5.909
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4332 weight  0.10000E+01 volume  0.43700E+00 ppm1      0.820 ppm2      7.677
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4333 weight  0.10000E+01 volume  0.41700E+00 ppm1      0.818 ppm2      7.855
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4334 weight  0.10000E+01 volume  0.62000E+00 ppm1      0.818 ppm2      8.533
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4335 weight  0.10000E+01 volume  0.16200E+00 ppm1      0.817 ppm2      8.899
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "44  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4337 weight  0.10000E+01 volume  0.10700E+00 ppm1      0.816 ppm2      8.698
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  4330 weight  0.10000E+01 volume  0.18700E+00 ppm1      0.818 ppm2      6.973
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  3232 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.657 ppm2      0.230
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3241 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.656 ppm2      8.552
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3240 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.659 ppm2      9.412
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3235 weight  0.10000E+01 volume  0.57700E+00 ppm1      1.657 ppm2      1.083
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  3905 weight  0.10000E+01 volume  0.10600E+00 ppm1      3.214 ppm2      0.201
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1718 weight  0.10000E+01 volume  0.15100E+00 ppm1      1.656 ppm2      2.569
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3900 weight  0.10000E+01 volume  0.11200E+00 ppm1      3.506 ppm2      6.171
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      5.000     5.000     0.000 peak  3901 weight  0.10000E+01 volume  0.75900E+00 ppm1      3.502 ppm2      7.327
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "29  " and name "HE22")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3113 weight  0.10000E+01 volume  0.89000E-01 ppm1      1.258 ppm2      6.708
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3902 weight  0.10000E+01 volume  0.35600E+00 ppm1      3.499 ppm2      7.635
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3903 weight  0.10000E+01 volume  0.68600E+00 ppm1      3.497 ppm2      8.953
 ASSI (
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3103 weight  0.10000E+01 volume  0.88000E+00 ppm1      1.268 ppm2      0.220
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3117 weight  0.10000E+01 volume  0.17420E+01 ppm1      1.267 ppm2      1.754
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3066 weight  0.10000E+01 volume  0.11280E+01 ppm1      1.263 ppm2      2.012
 ASSI (
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3109 weight  0.10000E+01 volume  0.57900E+00 ppm1      1.263 ppm2      3.917
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
 )(
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3110 weight  0.10000E+01 volume  0.52200E+00 ppm1      1.266 ppm2      4.048
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3114 weight  0.10000E+01 volume  0.59000E+00 ppm1      1.267 ppm2      9.030
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3910 weight  0.10000E+01 volume  0.11800E+00 ppm1      3.210 ppm2      6.182
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      5.000     5.000     0.000 peak  3912 weight  0.10000E+01 volume  0.42400E+00 ppm1      3.208 ppm2      7.323
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  3911 weight  0.10000E+01 volume  0.55500E+00 ppm1      3.212 ppm2      7.638
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3913 weight  0.10000E+01 volume  0.99800E+00 ppm1      3.210 ppm2      8.954
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3898 weight  0.10000E+01 volume  0.30200E+01 ppm1      3.500 ppm2      3.215
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3112 weight  0.10000E+01 volume  0.14000E+00 ppm1      1.263 ppm2      4.631
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2554 weight  0.10000E+01 volume  0.21150E+01 ppm1      0.529 ppm2      1.394
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2221 weight  0.10000E+01 volume  0.21600E+00 ppm1      0.527 ppm2      3.607
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2223 weight  0.10000E+01 volume  0.37700E+00 ppm1      0.527 ppm2      5.312
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2208 weight  0.10000E+01 volume  0.17800E+00 ppm1      1.459 ppm2      3.611
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2210 weight  0.10000E+01 volume  0.49900E+00 ppm1      1.456 ppm2      5.317
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      6.000     6.000     0.000 peak  2211 weight  0.10000E+01 volume  0.21800E+00 ppm1      1.455 ppm2      6.579
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2207 weight  0.10000E+01 volume  0.10900E+00 ppm1      1.457 ppm2      3.446
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2220 weight  0.10000E+01 volume  0.15000E+00 ppm1      0.526 ppm2      3.445
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      6.000     6.000     0.000 peak  2225 weight  0.10000E+01 volume  0.10200E+00 ppm1      0.530 ppm2      6.667
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      6.000     6.000     0.000 peak  2212 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.456 ppm2      6.669
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3737 weight  0.10000E+01 volume  0.13200E+00 ppm1      1.793 ppm2      3.194
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  3729 weight  0.10000E+01 volume  0.16900E+00 ppm1      1.797 ppm2      0.222
 ASSI (
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3730 weight  0.10000E+01 volume  0.70500E+00 ppm1      1.799 ppm2      0.681
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
  OR 
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3732 weight  0.10000E+01 volume  0.49900E+00 ppm1      1.799 ppm2      1.364
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3741 weight  0.10000E+01 volume  0.32800E+00 ppm1      1.795 ppm2      4.637
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3742 weight  0.10000E+01 volume  0.49800E+00 ppm1      1.796 ppm2      4.773
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3743 weight  0.10000E+01 volume  0.51500E+00 ppm1      1.797 ppm2      8.203
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3744 weight  0.10000E+01 volume  0.18000E+00 ppm1      1.797 ppm2      9.027
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3148 weight  0.10000E+01 volume  0.63700E+00 ppm1      1.236 ppm2      9.349
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3144 weight  0.10000E+01 volume  0.25400E+00 ppm1      1.235 ppm2      2.828
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "30  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3149 weight  0.10000E+01 volume  0.23100E+00 ppm1      1.239 ppm2      8.689
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3145 weight  0.10000E+01 volume  0.27300E+00 ppm1      1.234 ppm2      2.706
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3146 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.234 ppm2      4.920
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3131 weight  0.10000E+01 volume  0.25700E+00 ppm1      1.371 ppm2      2.713
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3132 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.371 ppm2      2.836
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3133 weight  0.10000E+01 volume  0.19400E+00 ppm1      1.372 ppm2      4.497
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3137 weight  0.10000E+01 volume  0.53600E+00 ppm1      1.372 ppm2      9.346
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3549 weight  0.10000E+01 volume  0.19200E+00 ppm1      1.561 ppm2      8.970
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "30  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3136 weight  0.10000E+01 volume  0.19300E+00 ppm1      1.372 ppm2      8.688
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3548 weight  0.10000E+01 volume  0.11060E+01 ppm1      1.555 ppm2      7.851
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "72  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4408 weight  0.10000E+01 volume  0.12110E+01 ppm1      1.710 ppm2      7.842
 ASSI (
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
  OR 
     (segid "    " and resid "32  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2991 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.540 ppm2      4.052
 ASSI (
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2992 weight  0.10000E+01 volume  0.57900E+00 ppm1      1.540 ppm2      8.297
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2517 weight  0.10000E+01 volume  0.30600E+00 ppm1      0.991 ppm2      0.241
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      2.700     2.700     0.000 peak  2336 weight  0.10000E+01 volume  0.45110E+01 ppm1      0.994 ppm2      0.745
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  1874 weight  0.10000E+01 volume  0.22440E+01 ppm1      0.993 ppm2      1.317
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2524 weight  0.10000E+01 volume  0.19200E+00 ppm1      0.988 ppm2      2.560
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  2525 weight  0.10000E+01 volume  0.21710E+01 ppm1      0.990 ppm2      3.683
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2526 weight  0.10000E+01 volume  0.26700E+00 ppm1      0.990 ppm2      4.016
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "23  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2527 weight  0.10000E+01 volume  0.17200E+00 ppm1      0.990 ppm2      4.152
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2529 weight  0.10000E+01 volume  0.87000E-01 ppm1      0.990 ppm2      4.982
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2530 weight  0.10000E+01 volume  0.11000E+00 ppm1      0.990 ppm2      5.309
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  2534 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.990 ppm2      7.330
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2533 weight  0.10000E+01 volume  0.62800E+00 ppm1      0.991 ppm2      7.700
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "61  " and name "HN  ")
  OR 
     (segid "    " and resid "21  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2535 weight  0.10000E+01 volume  0.24400E+00 ppm1      0.991 ppm2      8.054
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HN  ")
  OR 
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2536 weight  0.10000E+01 volume  0.84000E-01 ppm1      0.990 ppm2      8.539
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2537 weight  0.10000E+01 volume  0.66000E-01 ppm1      0.991 ppm2      8.822
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3396 weight  0.10000E+01 volume  0.43500E+00 ppm1      1.616 ppm2      2.276
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  3246 weight  0.10000E+01 volume  0.17200E+00 ppm1      1.615 ppm2      3.444
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2446 weight  0.10000E+01 volume  0.12510E+01 ppm1      1.616 ppm2      7.731
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2447 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.613 ppm2      8.434
 ASSI (
     (segid "    " and resid "23  " and name "HG  ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3247 weight  0.10000E+01 volume  0.14800E+00 ppm1      1.614 ppm2      3.610
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2682 weight  0.10000E+01 volume  0.33400E+00 ppm1      1.545 ppm2      2.315
 ASSI (
     (segid "    " and resid "47  " and name "HG2 ")
 )(
     (segid "    " and resid "47  " and name "HE  ")
  OR 
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3508 weight  0.10000E+01 volume  0.56400E+00 ppm1      1.395 ppm2      7.075
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "47  " and name "HE  ")
 )
      5.000     5.000     0.000 peak  3501 weight  0.10000E+01 volume  0.51200E+00 ppm1      1.546 ppm2      7.076
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3502 weight  0.10000E+01 volume  0.40400E+00 ppm1      1.550 ppm2      7.206
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3503 weight  0.10000E+01 volume  0.38900E+00 ppm1      1.552 ppm2      7.856
 ASSI (
     (segid "    " and resid "47  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3510 weight  0.10000E+01 volume  0.23600E+00 ppm1      1.390 ppm2      7.863
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
  OR 
     (segid "    " and resid "19  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2304 weight  0.10000E+01 volume  0.14300E+00 ppm1      1.976 ppm2      1.334
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2302 weight  0.10000E+01 volume  0.34000E+00 ppm1      1.978 ppm2      0.754
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2312 weight  0.10000E+01 volume  0.11400E+00 ppm1      1.976 ppm2      7.739
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2322 weight  0.10000E+01 volume  0.10600E+00 ppm1      1.802 ppm2      7.742
 ASSI (
     (segid "    " and resid "67  " and name "HG1 ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2321 weight  0.10000E+01 volume  0.88500E+00 ppm1      1.804 ppm2      7.920
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2323 weight  0.10000E+01 volume  0.13800E+00 ppm1      1.800 ppm2      8.427
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2313 weight  0.10000E+01 volume  0.10200E+00 ppm1      1.977 ppm2      8.436
 ASSI (
     (segid "    " and resid "67  " and name "HG2 ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4360 weight  0.10000E+01 volume  0.70500E+00 ppm1      1.637 ppm2      7.921
 ASSI (
     (segid "    " and resid "47  " and name "HG2 ")
 )(
     (segid "    " and resid "45  " and name "HG2 ")
  OR 
     (segid "    " and resid "45  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2681 weight  0.10000E+01 volume  0.18900E+00 ppm1      1.391 ppm2      2.312
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3880 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.256 ppm2      7.915
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3885 weight  0.10000E+01 volume  0.30800E+00 ppm1      2.132 ppm2      4.151
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3879 weight  0.10000E+01 volume  0.24900E+00 ppm1      2.257 ppm2      4.156
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3886 weight  0.10000E+01 volume  0.22400E+00 ppm1      2.133 ppm2      7.917
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3881 weight  0.10000E+01 volume  0.92500E+00 ppm1      2.257 ppm2      9.006
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3887 weight  0.10000E+01 volume  0.13900E+01 ppm1      2.134 ppm2      9.010
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4306 weight  0.10000E+01 volume  0.12100E+00 ppm1      1.863 ppm2      8.127
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      6.000     6.000     0.000 peak  3121 weight  0.10000E+01 volume  0.20900E+00 ppm1      1.873 ppm2      0.994
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3130 weight  0.10000E+01 volume  0.10800E+00 ppm1      1.874 ppm2      1.443
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4299 weight  0.10000E+01 volume  0.42300E+00 ppm1      1.865 ppm2      3.360
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4302 weight  0.10000E+01 volume  0.20800E+00 ppm1      1.867 ppm2      6.710
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4303 weight  0.10000E+01 volume  0.11100E+00 ppm1      1.862 ppm2      6.823
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4305 weight  0.10000E+01 volume  0.10120E+01 ppm1      1.865 ppm2      8.527
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4304 weight  0.10000E+01 volume  0.16900E+00 ppm1      1.865 ppm2      8.910
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3254 weight  0.10000E+01 volume  0.12900E+00 ppm1      0.845 ppm2      3.107
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3244 weight  0.10000E+01 volume  0.13960E+01 ppm1      0.845 ppm2      0.242
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2479 weight  0.10000E+01 volume  0.19700E+01 ppm1      0.846 ppm2      1.398
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3253 weight  0.10000E+01 volume  0.55000E+00 ppm1      0.843 ppm2      2.563
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3255 weight  0.10000E+01 volume  0.13300E+00 ppm1      0.845 ppm2      4.851
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3257 weight  0.10000E+01 volume  0.14100E+00 ppm1      0.844 ppm2      5.308
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  3258 weight  0.10000E+01 volume  0.13470E+01 ppm1      0.843 ppm2      6.675
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3260 weight  0.10000E+01 volume  0.11300E+00 ppm1      0.847 ppm2      7.155
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      5.000     5.000     0.000 peak  3261 weight  0.10000E+01 volume  0.47800E+00 ppm1      0.844 ppm2      7.326
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3262 weight  0.10000E+01 volume  0.21100E+00 ppm1      0.843 ppm2      9.412
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3445 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.790 ppm2      8.396
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3432 weight  0.10000E+01 volume  0.23500E+00 ppm1      2.304 ppm2      6.164
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3441 weight  0.10000E+01 volume  0.13300E+00 ppm1      1.791 ppm2      4.397
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2834 weight  0.10000E+01 volume  0.80900E+00 ppm1      1.576 ppm2      4.251
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  1885 weight  0.10000E+01 volume  0.20700E+00 ppm1      1.580 ppm2      4.860
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3420 weight  0.10000E+01 volume  0.17000E+00 ppm1      1.577 ppm2      5.457
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3421 weight  0.10000E+01 volume  0.33300E+00 ppm1      1.578 ppm2      7.410
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3422 weight  0.10000E+01 volume  0.11250E+01 ppm1      1.580 ppm2      8.651
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      6.000     6.000     0.000 peak  3425 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.308 ppm2      1.387
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3433 weight  0.10000E+01 volume  0.12300E+00 ppm1      2.307 ppm2      7.071
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3443 weight  0.10000E+01 volume  0.19500E+00 ppm1      1.785 ppm2      7.076
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3444 weight  0.10000E+01 volume  0.11010E+01 ppm1      1.789 ppm2      7.409
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3434 weight  0.10000E+01 volume  0.65800E+00 ppm1      2.307 ppm2      7.410
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3435 weight  0.10000E+01 volume  0.10100E+00 ppm1      2.308 ppm2      8.390
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3419 weight  0.10000E+01 volume  0.90000E-01 ppm1      1.578 ppm2      4.684
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
  OR 
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
  OR 
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  1729 weight  0.10000E+01 volume  0.12700E+00 ppm1      2.302 ppm2      3.186
 ASSI (
     (segid "    " and resid "10  " and name "HG12")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      2.700     2.700     0.000 peak  6652 weight  0.10000E+01 volume  0.55810E+01 ppm1      0.830 ppm2      0.751
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
 )
      6.000     6.000     0.000 peak  2880 weight  0.10000E+01 volume  0.27300E+00 ppm1      1.452 ppm2      0.984
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1824 weight  0.10000E+01 volume  0.79000E-01 ppm1      1.451 ppm2      4.477
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1825 weight  0.10000E+01 volume  0.18400E+00 ppm1      1.449 ppm2      7.689
 ASSI (
     (segid "    " and resid "10  " and name "HG12")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1830 weight  0.10000E+01 volume  0.14100E+00 ppm1      0.826 ppm2      7.694
 ASSI (
     (segid "    " and resid "10  " and name "HG12")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1831 weight  0.10000E+01 volume  0.80000E+00 ppm1      0.828 ppm2      8.199
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1826 weight  0.10000E+01 volume  0.94200E+00 ppm1      1.453 ppm2      8.200
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4214 weight  0.10000E+01 volume  0.38600E+00 ppm1      2.124 ppm2      2.687
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4218 weight  0.10000E+01 volume  0.79000E-01 ppm1      2.129 ppm2      3.151
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4220 weight  0.10000E+01 volume  0.10400E+00 ppm1      2.130 ppm2      3.789
 ASSI (
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4223 weight  0.10000E+01 volume  0.29400E+00 ppm1      2.128 ppm2      4.184
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4224 weight  0.10000E+01 volume  0.25670E+01 ppm1      2.128 ppm2      7.715
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4225 weight  0.10000E+01 volume  0.11310E+01 ppm1      2.124 ppm2      8.133
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4226 weight  0.10000E+01 volume  0.24900E+00 ppm1      2.133 ppm2      8.255
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4219 weight  0.10000E+01 volume  0.25700E+00 ppm1      2.127 ppm2      3.342
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4213 weight  0.10000E+01 volume  0.14800E+00 ppm1      2.127 ppm2      2.893
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4227 weight  0.10000E+01 volume  0.13300E+00 ppm1      2.132 ppm2      8.526
 ASSI (
     (segid "    " and resid "54  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HD1 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3786 weight  0.10000E+01 volume  0.12900E+00 ppm1      1.631 ppm2      2.807
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4247 weight  0.10000E+01 volume  0.69800E+00 ppm1      3.355 ppm2      8.528
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4257 weight  0.10000E+01 volume  0.14130E+01 ppm1      3.281 ppm2      8.135
 ASSI (
     (segid "    " and resid "54  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HD1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3788 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.629 ppm2      8.201
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4248 weight  0.10000E+01 volume  0.16450E+01 ppm1      3.355 ppm2      8.134
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
  OR 
     (segid "    " and resid "21  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4241 weight  0.10000E+01 volume  0.24200E+00 ppm1      3.355 ppm2      1.889
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4258 weight  0.10000E+01 volume  0.51400E+00 ppm1      3.287 ppm2      8.528
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  4252 weight  0.10000E+01 volume  0.22700E+00 ppm1      3.287 ppm2      1.885
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4238 weight  0.10000E+01 volume  0.34000E+00 ppm1      3.358 ppm2      0.724
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4254 weight  0.10000E+01 volume  0.81900E+00 ppm1      3.285 ppm2      4.017
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4240 weight  0.10000E+01 volume  0.20200E+00 ppm1      3.355 ppm2      1.425
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4249 weight  0.10000E+01 volume  0.30900E+00 ppm1      3.286 ppm2      0.726
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4253 weight  0.10000E+01 volume  0.15100E+00 ppm1      3.287 ppm2      2.125
 ASSI (
     (segid "    " and resid "68  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4374 weight  0.10000E+01 volume  0.30000E+00 ppm1      2.031 ppm2      0.754
 ASSI (
     (segid "    " and resid "68  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      6.000     6.000     0.000 peak  4371 weight  0.10000E+01 volume  0.22000E+00 ppm1      2.117 ppm2      0.757
 ASSI (
     (segid "    " and resid "68  " and name "HB2 ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
  OR 
     (segid "    " and resid "68  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4376 weight  0.10000E+01 volume  0.20290E+01 ppm1      2.031 ppm2      7.904
 ASSI (
     (segid "    " and resid "68  " and name "HB1 ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
  OR 
     (segid "    " and resid "68  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4373 weight  0.10000E+01 volume  0.19000E+01 ppm1      2.118 ppm2      7.906
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4243 weight  0.10000E+01 volume  0.92100E+00 ppm1      3.355 ppm2      4.022
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4242 weight  0.10000E+01 volume  0.22600E+00 ppm1      3.355 ppm2      2.130
 ASSI (
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1979 weight  0.10000E+01 volume  0.96000E-01 ppm1      1.693 ppm2      8.815
 ASSI (
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  6714 weight  0.10000E+01 volume  0.10350E+01 ppm1      1.702 ppm2      1.922
 ASSI (
     (segid "    " and resid "29  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2767 weight  0.10000E+01 volume  0.39900E+00 ppm1      1.987 ppm2      8.684
 ASSI (
     (segid "    " and resid "29  " and name "HB2 ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2768 weight  0.10000E+01 volume  0.11290E+01 ppm1      1.993 ppm2      9.083
 ASSI (
     (segid "    " and resid "29  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2763 weight  0.10000E+01 volume  0.40200E+00 ppm1      2.165 ppm2      8.682
 ASSI (
     (segid "    " and resid "29  " and name "HB2 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2764 weight  0.10000E+01 volume  0.39200E+00 ppm1      1.992 ppm2      0.689
 ASSI (
     (segid "    " and resid "29  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2762 weight  0.10000E+01 volume  0.99500E+00 ppm1      2.158 ppm2      9.081
 ASSI (
     (segid "    " and resid "36  " and name "HD2 ")
  OR 
     (segid "    " and resid "36  " and name "HD1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2973 weight  0.10000E+01 volume  0.14200E+00 ppm1      1.573 ppm2      8.029
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
  OR 
     (segid "    " and resid "32  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2987 weight  0.10000E+01 volume  0.45500E+00 ppm1      1.719 ppm2      4.054
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2989 weight  0.10000E+01 volume  0.45400E+00 ppm1      1.719 ppm2      7.815
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2988 weight  0.10000E+01 volume  0.16730E+01 ppm1      1.719 ppm2      8.300
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2159 weight  0.10000E+01 volume  0.31600E+00 ppm1      1.255 ppm2      3.212
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2151 weight  0.10000E+01 volume  0.30300E+00 ppm1      1.291 ppm2      3.505
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2161 weight  0.10000E+01 volume  0.12200E+00 ppm1      1.255 ppm2      5.312
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  2164 weight  0.10000E+01 volume  0.75000E-01 ppm1      1.271 ppm2      7.333
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2162 weight  0.10000E+01 volume  0.23800E+00 ppm1      1.253 ppm2      7.497
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2163 weight  0.10000E+01 volume  0.10200E+00 ppm1      1.264 ppm2      7.633
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  4157 weight  0.10000E+01 volume  0.33300E+01 ppm1      2.024 ppm2      0.436
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4158 weight  0.10000E+01 volume  0.70400E+00 ppm1      2.024 ppm2      0.707
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4168 weight  0.10000E+01 volume  0.58400E+00 ppm1      0.430 ppm2      0.720
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4175 weight  0.10000E+01 volume  0.14400E+00 ppm1      0.426 ppm2      2.559
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4161 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.023 ppm2      3.789
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4162 weight  0.10000E+01 volume  0.24400E+00 ppm1      2.026 ppm2      6.705
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4163 weight  0.10000E+01 volume  0.21100E+00 ppm1      2.029 ppm2      6.820
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4180 weight  0.10000E+01 volume  0.13500E+00 ppm1      0.424 ppm2      7.709
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4164 weight  0.10000E+01 volume  0.23200E+00 ppm1      2.026 ppm2      7.711
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
  OR 
     (segid "    " and resid "61  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4165 weight  0.10000E+01 volume  0.15900E+00 ppm1      2.029 ppm2      8.082
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4181 weight  0.10000E+01 volume  0.97800E+00 ppm1      0.430 ppm2      8.248
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4166 weight  0.10000E+01 volume  0.14480E+01 ppm1      2.026 ppm2      8.248
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4055 weight  0.10000E+01 volume  0.84000E-01 ppm1      1.401 ppm2      2.398
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4045 weight  0.10000E+01 volume  0.42400E+00 ppm1      1.548 ppm2      3.607
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4057 weight  0.10000E+01 volume  0.70800E+00 ppm1      1.406 ppm2      3.610
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4059 weight  0.10000E+01 volume  0.14700E+00 ppm1      1.404 ppm2      6.947
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4047 weight  0.10000E+01 volume  0.14100E+00 ppm1      1.549 ppm2      6.948
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  4061 weight  0.10000E+01 volume  0.10300E+00 ppm1      1.401 ppm2      7.926
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4062 weight  0.10000E+01 volume  0.80000E-01 ppm1      1.401 ppm2      8.689
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4048 weight  0.10000E+01 volume  0.26600E+00 ppm1      1.551 ppm2      7.294
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4060 weight  0.10000E+01 volume  0.31200E+00 ppm1      1.403 ppm2      7.295
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4177 weight  0.10000E+01 volume  0.11000E+00 ppm1      0.428 ppm2      3.788
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  4049 weight  0.10000E+01 volume  0.10700E+00 ppm1      1.551 ppm2      7.920
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4050 weight  0.10000E+01 volume  0.10100E+00 ppm1      1.553 ppm2      8.691
 ASSI (
     (segid "    " and resid "67  " and name "HB2 ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4364 weight  0.10000E+01 volume  0.28670E+01 ppm1      1.874 ppm2      7.921
 ASSI (
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4362 weight  0.10000E+01 volume  0.14400E+00 ppm1      1.874 ppm2      2.886
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3411 weight  0.10000E+01 volume  0.11500E+00 ppm1      1.782 ppm2      5.450
 ASSI (
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3405 weight  0.10000E+01 volume  0.77900E+00 ppm1      1.782 ppm2      0.724
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )
      6.000     6.000     0.000 peak  2832 weight  0.10000E+01 volume  0.27600E+00 ppm1      1.786 ppm2      0.830
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3410 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.780 ppm2      4.860
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3412 weight  0.10000E+01 volume  0.42300E+00 ppm1      1.785 ppm2      7.409
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3413 weight  0.10000E+01 volume  0.99500E+00 ppm1      1.782 ppm2      8.647
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2818 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.190 ppm2      1.419
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2838 weight  0.10000E+01 volume  0.11280E+01 ppm1      1.980 ppm2      7.972
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2827 weight  0.10000E+01 volume  0.73000E+00 ppm1      2.189 ppm2      7.978
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2828 weight  0.10000E+01 volume  0.23800E+00 ppm1      2.191 ppm2      8.062
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2829 weight  0.10000E+01 volume  0.45200E+00 ppm1      2.191 ppm2      8.755
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
  OR 
     (segid "    " and resid "31  " and name "HE21")
 )
      6.000     6.000     0.000 peak  2826 weight  0.10000E+01 volume  0.11500E+00 ppm1      2.195 ppm2      7.586
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2823 weight  0.10000E+01 volume  0.92000E-01 ppm1      2.190 ppm2      2.988
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3829 weight  0.10000E+01 volume  0.18200E+00 ppm1      1.786 ppm2     10.309
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3816 weight  0.10000E+01 volume  0.23500E+00 ppm1      1.965 ppm2     10.309
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  3807 weight  0.10000E+01 volume  0.28250E+01 ppm1      1.966 ppm2      2.461
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3810 weight  0.10000E+01 volume  0.31900E+00 ppm1      1.964 ppm2      6.174
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
  OR 
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
  OR 
     (segid "    " and resid "31  " and name "HE21")
 )
      5.000     5.000     0.000 peak  3812 weight  0.10000E+01 volume  0.11420E+01 ppm1      1.964 ppm2      7.563
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3825 weight  0.10000E+01 volume  0.11950E+01 ppm1      1.786 ppm2      7.567
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3814 weight  0.10000E+01 volume  0.36800E+00 ppm1      1.964 ppm2      8.947
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3827 weight  0.10000E+01 volume  0.29100E+00 ppm1      1.788 ppm2      8.953
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3828 weight  0.10000E+01 volume  0.30300E+00 ppm1      1.786 ppm2      9.025
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3815 weight  0.10000E+01 volume  0.43800E+00 ppm1      1.964 ppm2      9.026
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
  OR 
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
  OR 
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  3811 weight  0.10000E+01 volume  0.74000E-01 ppm1      1.964 ppm2      7.293
 ASSI (
     (segid "    " and resid "74  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4431 weight  0.10000E+01 volume  0.46000E+00 ppm1      1.846 ppm2      8.172
 ASSI (
     (segid "    " and resid "74  " and name "HB2 ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4435 weight  0.10000E+01 volume  0.56300E+00 ppm1      1.764 ppm2      8.173
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3934 weight  0.10000E+01 volume  0.17200E+00 ppm1      1.709 ppm2      1.091
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3936 weight  0.10000E+01 volume  0.64100E+00 ppm1      1.707 ppm2      3.909
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  3937 weight  0.10000E+01 volume  0.17100E+01 ppm1      1.708 ppm2      6.173
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3938 weight  0.10000E+01 volume  0.11200E+01 ppm1      1.707 ppm2      7.300
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3075 weight  0.10000E+01 volume  0.52000E+00 ppm1      1.708 ppm2      7.557
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
  OR 
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3939 weight  0.10000E+01 volume  0.13600E+00 ppm1      1.708 ppm2      8.688
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2435 weight  0.10000E+01 volume  0.93500E+00 ppm1      1.613 ppm2      1.353
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "43  " and name "HG22")
 )
      5.000     5.000     0.000 peak  2429 weight  0.10000E+01 volume  0.12930E+01 ppm1      1.715 ppm2      1.355
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3493 weight  0.10000E+01 volume  0.71900E+00 ppm1      1.610 ppm2      7.072
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3484 weight  0.10000E+01 volume  0.74800E+00 ppm1      1.719 ppm2      7.074
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3494 weight  0.10000E+01 volume  0.63900E+00 ppm1      1.612 ppm2      7.207
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3485 weight  0.10000E+01 volume  0.78300E+00 ppm1      1.715 ppm2      7.223
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3486 weight  0.10000E+01 volume  0.32100E+00 ppm1      1.716 ppm2      7.855
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3495 weight  0.10000E+01 volume  0.35600E+00 ppm1      1.612 ppm2      7.858
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3487 weight  0.10000E+01 volume  0.97000E-01 ppm1      1.716 ppm2      8.951
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3496 weight  0.10000E+01 volume  0.10000E+00 ppm1      1.617 ppm2      8.951
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2369 weight  0.10000E+01 volume  0.40800E+00 ppm1      1.937 ppm2      0.994
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3177 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.934 ppm2      1.339
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3176 weight  0.10000E+01 volume  0.31700E+00 ppm1      1.934 ppm2      1.424
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3868 weight  0.10000E+01 volume  0.25700E+00 ppm1      1.936 ppm2      3.997
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3212 weight  0.10000E+01 volume  0.52400E+00 ppm1      1.937 ppm2      4.143
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2377 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.942 ppm2      7.715
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2378 weight  0.10000E+01 volume  0.17510E+01 ppm1      1.940 ppm2      8.046
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2379 weight  0.10000E+01 volume  0.43800E+00 ppm1      1.939 ppm2      8.434
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4007 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.783 ppm2      6.952
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4008 weight  0.10000E+01 volume  0.75300E+00 ppm1      1.782 ppm2      7.298
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  4009 weight  0.10000E+01 volume  0.21900E+00 ppm1      1.781 ppm2      7.920
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4010 weight  0.10000E+01 volume  0.57600E+00 ppm1      1.784 ppm2      8.689
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8101 weight  0.10000E+01 volume  0.11840E+01 ppm1      1.779 ppm2      3.612
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8109 weight  0.10000E+01 volume  0.10200E+01 ppm1      1.713 ppm2      3.614
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4016 weight  0.10000E+01 volume  0.25000E+00 ppm1      1.714 ppm2      6.949
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4018 weight  0.10000E+01 volume  0.11570E+01 ppm1      1.714 ppm2      7.297
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  4019 weight  0.10000E+01 volume  0.29300E+00 ppm1      1.713 ppm2      7.917
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4020 weight  0.10000E+01 volume  0.83100E+00 ppm1      1.714 ppm2      8.687
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  3712 weight  0.10000E+01 volume  0.22400E+00 ppm1      2.005 ppm2      0.218
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3721 weight  0.10000E+01 volume  0.30000E+00 ppm1      1.885 ppm2      0.221
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3722 weight  0.10000E+01 volume  0.57000E+00 ppm1      1.884 ppm2      0.680
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3052 weight  0.10000E+01 volume  0.56600E+00 ppm1      2.007 ppm2      0.684
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3053 weight  0.10000E+01 volume  0.70900E+00 ppm1      1.883 ppm2      1.272
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3727 weight  0.10000E+01 volume  0.12700E+00 ppm1      1.884 ppm2      4.776
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3728 weight  0.10000E+01 volume  0.23200E+00 ppm1      1.883 ppm2      8.199
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3719 weight  0.10000E+01 volume  0.79000E-01 ppm1      2.005 ppm2      4.782
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3720 weight  0.10000E+01 volume  0.14100E+00 ppm1      2.001 ppm2      8.200
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG21")
  OR 
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2278 weight  0.10000E+01 volume  0.24600E+00 ppm1      2.270 ppm2      0.743
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2291 weight  0.10000E+01 volume  0.31900E+00 ppm1      1.762 ppm2      0.746
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2292 weight  0.10000E+01 volume  0.56700E+00 ppm1      1.762 ppm2      0.875
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2300 weight  0.10000E+01 volume  0.36700E+00 ppm1      1.764 ppm2      7.732
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2290 weight  0.10000E+01 volume  0.17900E+00 ppm1      2.270 ppm2      7.732
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2299 weight  0.10000E+01 volume  0.37000E+00 ppm1      1.760 ppm2      8.048
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2288 weight  0.10000E+01 volume  0.54800E+00 ppm1      2.270 ppm2      8.049
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2301 weight  0.10000E+01 volume  0.39600E+00 ppm1      1.764 ppm2      8.436
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2289 weight  0.10000E+01 volume  0.30700E+00 ppm1      2.272 ppm2      8.437
 ASSI (
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3774 weight  0.10000E+01 volume  0.36800E+00 ppm1      1.718 ppm2      7.563
 ASSI (
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3775 weight  0.10000E+01 volume  0.12310E+01 ppm1      1.720 ppm2      8.206
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2688 weight  0.10000E+01 volume  0.50000E-01 ppm1      3.139 ppm2      8.820
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "25  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2660 weight  0.10000E+01 volume  0.58200E+00 ppm1      3.348 ppm2      1.780
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "25  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2676 weight  0.10000E+01 volume  0.61500E+00 ppm1      3.135 ppm2      1.781
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2677 weight  0.10000E+01 volume  0.57600E+00 ppm1      3.135 ppm2      1.968
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2661 weight  0.10000E+01 volume  0.43800E+00 ppm1      3.349 ppm2      1.968
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2685 weight  0.10000E+01 volume  0.43900E+00 ppm1      3.138 ppm2      7.673
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2668 weight  0.10000E+01 volume  0.37300E+00 ppm1      3.349 ppm2      7.674
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2669 weight  0.10000E+01 volume  0.43300E+00 ppm1      3.347 ppm2      7.848
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2686 weight  0.10000E+01 volume  0.51100E+00 ppm1      3.138 ppm2      7.851
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2671 weight  0.10000E+01 volume  0.72000E-01 ppm1      3.349 ppm2      8.822
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2103 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.772 ppm2      3.820
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2105 weight  0.10000E+01 volume  0.50900E+00 ppm1      0.770 ppm2      5.309
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2114 weight  0.10000E+01 volume  0.14700E+00 ppm1      0.441 ppm2      3.820
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  8486 weight  0.10000E+01 volume  0.15100E+00 ppm1      0.769 ppm2      7.325
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8487 weight  0.10000E+01 volume  0.11410E+01 ppm1      0.771 ppm2      7.506
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2119 weight  0.10000E+01 volume  0.10100E+00 ppm1      0.434 ppm2      7.630
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2115 weight  0.10000E+01 volume  0.17400E+00 ppm1      0.438 ppm2      4.545
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  2117 weight  0.10000E+01 volume  0.11400E+00 ppm1      0.440 ppm2      7.333
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2118 weight  0.10000E+01 volume  0.10100E+01 ppm1      0.440 ppm2      7.502
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2104 weight  0.10000E+01 volume  0.15800E+00 ppm1      0.770 ppm2      4.549
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8488 weight  0.10000E+01 volume  0.90000E-01 ppm1      0.771 ppm2      7.631
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2116 weight  0.10000E+01 volume  0.40200E+00 ppm1      0.440 ppm2      5.312
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HE22")
 )
      6.000     6.000     0.000 peak  2757 weight  0.10000E+01 volume  0.88000E-01 ppm1      2.000 ppm2      6.853
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HE21")
 )
      6.000     6.000     0.000 peak  2754 weight  0.10000E+01 volume  0.18300E+00 ppm1      2.002 ppm2      7.590
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2755 weight  0.10000E+01 volume  0.26300E+00 ppm1      2.004 ppm2      8.699
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2756 weight  0.10000E+01 volume  0.49700E+00 ppm1      2.002 ppm2      9.084
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "5   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1715 weight  0.10000E+01 volume  0.81100E+00 ppm1      2.029 ppm2      8.148
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "6   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1716 weight  0.10000E+01 volume  0.30300E+00 ppm1      2.030 ppm2      8.333
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2751 weight  0.10000E+01 volume  0.12200E+00 ppm1      2.141 ppm2      9.352
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )
      3.300     3.300     0.000 peak  8886 weight  0.10000E+01 volume  0.18590E+01 ppm1      2.029 ppm2      0.887
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2748 weight  0.10000E+01 volume  0.16000E+00 ppm1      2.148 ppm2      8.532
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HE22")
 )
      6.000     6.000     0.000 peak  2746 weight  0.10000E+01 volume  0.22100E+00 ppm1      2.148 ppm2      6.861
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2738 weight  0.10000E+01 volume  0.22500E+00 ppm1      2.148 ppm2      0.731
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      6.000     6.000     0.000 peak  2740 weight  0.10000E+01 volume  0.75000E-01 ppm1      2.143 ppm2      1.246
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2729 weight  0.10000E+01 volume  0.11100E+00 ppm1      2.287 ppm2      0.733
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HG11")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  2741 weight  0.10000E+01 volume  0.15700E+00 ppm1      2.144 ppm2      1.390
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HG11")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2731 weight  0.10000E+01 volume  0.89000E-01 ppm1      2.285 ppm2      1.391
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HE21")
 )
      5.000     5.000     0.000 peak  2747 weight  0.10000E+01 volume  0.37000E+00 ppm1      2.148 ppm2      7.584
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
 )(
     (segid "    " and resid "28  " and name "HE21")
 )
      6.000     6.000     0.000 peak  2735 weight  0.10000E+01 volume  0.18100E+00 ppm1      2.288 ppm2      7.586
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2736 weight  0.10000E+01 volume  0.26100E+00 ppm1      2.288 ppm2      8.696
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2749 weight  0.10000E+01 volume  0.47100E+00 ppm1      2.147 ppm2      8.701
 ASSI (
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2737 weight  0.10000E+01 volume  0.23200E+00 ppm1      2.286 ppm2      9.073
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
  OR 
     (segid "    " and resid "16  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2750 weight  0.10000E+01 volume  0.63700E+00 ppm1      2.149 ppm2      9.080
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
 )(
     (segid "    " and resid "7   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1751 weight  0.10000E+01 volume  0.35500E+00 ppm1      1.660 ppm2      8.391
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1752 weight  0.10000E+01 volume  0.15700E+00 ppm1      1.661 ppm2      8.487
 ASSI (
     (segid "    " and resid "7   " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1746 weight  0.10000E+01 volume  0.14700E+00 ppm1      1.724 ppm2      8.493
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  3893 weight  0.10000E+01 volume  0.59000E-01 ppm1      2.391 ppm2      1.405
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3889 weight  0.10000E+01 volume  0.11000E-01 ppm1      2.392 ppm2      4.155
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  3890 weight  0.10000E+01 volume  0.21100E+00 ppm1      2.398 ppm2      6.949
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      5.000     5.000     0.000 peak  3891 weight  0.10000E+01 volume  0.41200E+00 ppm1      2.396 ppm2      7.921
 ASSI (
     (segid "    " and resid "7   " and name "HB1 ")
 )(
     (segid "    " and resid "7   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1745 weight  0.10000E+01 volume  0.30600E+00 ppm1      1.724 ppm2      8.392
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
  OR 
     (segid "    " and resid "56  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3892 weight  0.10000E+01 volume  0.21800E+00 ppm1      2.394 ppm2      8.995
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      6.000     6.000     0.000 peak  3296 weight  0.10000E+01 volume  0.11000E-01 ppm1      1.769 ppm2      0.693
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
 )
      6.000     6.000     0.000 peak  3284 weight  0.10000E+01 volume -0.26000E-01 ppm1      1.958 ppm2      0.694
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HG11")
 )
      6.000     6.000     0.000 peak  3298 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.772 ppm2      1.062
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3302 weight  0.10000E+01 volume  0.30000E-01 ppm1      1.773 ppm2      3.143
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3303 weight  0.10000E+01 volume  0.25000E-01 ppm1      1.767 ppm2      3.351
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3305 weight  0.10000E+01 volume -0.23000E-01 ppm1      1.765 ppm2      4.407
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3304 weight  0.10000E+01 volume  0.10000E-01 ppm1      1.769 ppm2      4.996
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3290 weight  0.10000E+01 volume  0.90000E-02 ppm1      1.957 ppm2      4.996
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3306 weight  0.10000E+01 volume  0.15000E-01 ppm1      1.767 ppm2      5.635
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3292 weight  0.10000E+01 volume -0.60000E-02 ppm1      1.959 ppm2      7.668
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3307 weight  0.10000E+01 volume  0.15000E-01 ppm1      1.764 ppm2      7.669
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3308 weight  0.10000E+01 volume  0.15000E-01 ppm1      1.769 ppm2      8.544
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3293 weight  0.10000E+01 volume  0.10000E-01 ppm1      1.958 ppm2      8.547
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3295 weight  0.10000E+01 volume  0.13000E-01 ppm1      1.957 ppm2      8.953
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3309 weight  0.10000E+01 volume  0.21000E-01 ppm1      1.767 ppm2      8.963
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD11")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      6.000     6.000     0.000 peak  1989 weight  0.10000E+01 volume -0.11400E+00 ppm1      2.152 ppm2      0.736
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
  OR 
     (segid "    " and resid "16  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1983 weight  0.10000E+01 volume -0.17300E+00 ppm1      2.283 ppm2      4.483
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1994 weight  0.10000E+01 volume -0.54500E+00 ppm1      2.147 ppm2      4.484
 ASSI (
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1987 weight  0.10000E+01 volume  0.11400E+00 ppm1      2.276 ppm2      8.809
 ASSI (
     (segid "    " and resid "15  " and name "HB2 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1998 weight  0.10000E+01 volume  0.94000E-01 ppm1      2.147 ppm2      8.811
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HE21")
 )
      5.000     5.000     0.000 peak  2776 weight  0.10000E+01 volume  0.55500E+00 ppm1      2.465 ppm2      7.616
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2777 weight  0.10000E+01 volume  0.37700E+00 ppm1      2.465 ppm2      8.683
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8604 weight  0.10000E+01 volume  0.26160E+01 ppm1      2.466 ppm2      2.199
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2769 weight  0.10000E+01 volume  0.10090E+01 ppm1      2.460 ppm2      0.683
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HE22")
 )
      5.000     5.000     0.000 peak  2774 weight  0.10000E+01 volume  0.37700E+00 ppm1      2.465 ppm2      6.712
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2778 weight  0.10000E+01 volume  0.98900E+00 ppm1      2.467 ppm2      9.085
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2019 weight  0.10000E+01 volume  0.10800E+00 ppm1      2.542 ppm2      8.671
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2010 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.872 ppm2      8.669
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2017 weight  0.10000E+01 volume  0.24300E+00 ppm1      2.540 ppm2      4.484
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2020 weight  0.10000E+01 volume  0.74400E+00 ppm1      2.543 ppm2      8.811
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2021 weight  0.10000E+01 volume  0.13400E+00 ppm1      2.543 ppm2      9.066
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2005 weight  0.10000E+01 volume  0.55400E+00 ppm1      2.875 ppm2      2.442
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "16  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2008 weight  0.10000E+01 volume  0.15100E+00 ppm1      2.871 ppm2      4.481
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2011 weight  0.10000E+01 volume  0.59700E+00 ppm1      2.870 ppm2      8.810
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2012 weight  0.10000E+01 volume  0.10600E+00 ppm1      2.870 ppm2      9.062
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "14  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2001 weight  0.10000E+01 volume  0.63000E-01 ppm1      2.875 ppm2      1.765
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  2775 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.463 ppm2      6.830
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3735 weight  0.10000E+01 volume  0.63400E+00 ppm1      1.668 ppm2      1.928
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2951 weight  0.10000E+01 volume  0.51200E+00 ppm1      1.346 ppm2      1.929
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2952 weight  0.10000E+01 volume  0.15400E+00 ppm1      1.347 ppm2      2.622
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2946 weight  0.10000E+01 volume  0.62700E+00 ppm1      1.669 ppm2      8.028
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2955 weight  0.10000E+01 volume  0.78700E+00 ppm1      1.347 ppm2      8.030
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2947 weight  0.10000E+01 volume  0.61600E+00 ppm1      1.669 ppm2      8.299
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2956 weight  0.10000E+01 volume  0.33000E+00 ppm1      1.345 ppm2      8.300
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
  OR 
     (segid "    " and resid "36  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2000 weight  0.10000E+01 volume  0.71000E-01 ppm1      2.875 ppm2      1.389
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4147 weight  0.10000E+01 volume  0.82400E+00 ppm1      1.513 ppm2      0.440
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4138 weight  0.10000E+01 volume  0.64600E+00 ppm1      1.854 ppm2      0.440
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4151 weight  0.10000E+01 volume  0.33000E+00 ppm1      1.513 ppm2      3.790
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4143 weight  0.10000E+01 volume  0.42900E+00 ppm1      1.854 ppm2      3.794
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4144 weight  0.10000E+01 volume  0.10600E+00 ppm1      1.857 ppm2      6.816
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4154 weight  0.10000E+01 volume  0.51600E+00 ppm1      1.510 ppm2      7.710
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4145 weight  0.10000E+01 volume  0.62700E+00 ppm1      1.852 ppm2      7.713
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4155 weight  0.10000E+01 volume  0.79200E+00 ppm1      1.511 ppm2      8.248
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4146 weight  0.10000E+01 volume  0.82700E+00 ppm1      1.852 ppm2      8.251
 ASSI (
     (segid "    " and resid "68  " and name "HG1 ")
  OR 
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "68  " and name "HE21")
  OR 
     (segid "    " and resid "63  " and name "HE21")
 )
      5.000     5.000     0.000 peak  4386 weight  0.10000E+01 volume  0.34800E+00 ppm1      2.327 ppm2      7.407
 ASSI (
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
  OR 
     (segid "    " and resid "68  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4384 weight  0.10000E+01 volume  0.10480E+01 ppm1      2.275 ppm2      7.897
 ASSI (
     (segid "    " and resid "68  " and name "HG1 ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
  OR 
     (segid "    " and resid "68  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4380 weight  0.10000E+01 volume  0.93900E+00 ppm1      2.325 ppm2      7.900
 ASSI (
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      6.000     6.000     0.000 peak  4377 weight  0.10000E+01 volume  0.23500E+00 ppm1      2.321 ppm2      0.764
 ASSI (
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
  OR 
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "68  " and name "HE22")
  OR 
     (segid "    " and resid "63  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4212 weight  0.10000E+01 volume  0.20000E+00 ppm1      2.307 ppm2      6.871
 ASSI (
     (segid "    " and resid "14  " and name "HB1 ")
 )(
     (segid "    " and resid "14  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1957 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.840 ppm2      8.096
 ASSI (
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4207 weight  0.10000E+01 volume  0.22000E+00 ppm1      2.303 ppm2      3.143
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4197 weight  0.10000E+01 volume  0.11700E+00 ppm1      2.506 ppm2      3.149
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4199 weight  0.10000E+01 volume  0.23000E+00 ppm1      2.507 ppm2      4.299
 ASSI (
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
  OR 
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "68  " and name "HE21")
  OR 
     (segid "    " and resid "63  " and name "HE21")
 )
      5.000     5.000     0.000 peak  4210 weight  0.10000E+01 volume  0.38300E+00 ppm1      2.309 ppm2      7.414
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HE21")
 )
      6.000     6.000     0.000 peak  4201 weight  0.10000E+01 volume  0.27600E+00 ppm1      2.510 ppm2      7.436
 ASSI (
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4209 weight  0.10000E+01 volume  0.41900E+00 ppm1      2.304 ppm2      7.714
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4203 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.507 ppm2      8.125
 ASSI (
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4211 weight  0.10000E+01 volume  0.21200E+00 ppm1      2.302 ppm2      8.132
 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
     (segid "    " and resid "14  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1966 weight  0.10000E+01 volume  0.43800E+00 ppm1      1.778 ppm2      8.094
 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1967 weight  0.10000E+01 volume  0.44000E+00 ppm1      1.777 ppm2      8.810
 ASSI (
     (segid "    " and resid "14  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1958 weight  0.10000E+01 volume  0.39500E+00 ppm1      1.840 ppm2      8.808
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4202 weight  0.10000E+01 volume  0.47500E+00 ppm1      2.510 ppm2      7.717
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
  OR 
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HE22")
  OR 
     (segid "    " and resid "31  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4200 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.505 ppm2      6.850
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2839 weight  0.10000E+01 volume  0.13400E+00 ppm1      2.453 ppm2      1.423
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "31  " and name "HE22")
 )
      5.000     5.000     0.000 peak  2846 weight  0.10000E+01 volume  0.30600E+00 ppm1      2.451 ppm2      6.885
 ASSI (
     (segid "    " and resid "45  " and name "HG1 ")
  OR 
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HE21")
  OR 
     (segid "    " and resid "31  " and name "HE21")
 )
      5.000     5.000     0.000 peak  2847 weight  0.10000E+01 volume  0.66900E+00 ppm1      2.451 ppm2      7.551
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2848 weight  0.10000E+01 volume  0.16100E+00 ppm1      2.451 ppm2      7.666
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2849 weight  0.10000E+01 volume  0.10080E+01 ppm1      2.452 ppm2      7.974
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2850 weight  0.10000E+01 volume  0.17400E+00 ppm1      2.454 ppm2      8.070
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2851 weight  0.10000E+01 volume  0.31200E+00 ppm1      2.454 ppm2      8.758
 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
 )(
     (segid "    " and resid "45  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3457 weight  0.10000E+01 volume  0.15500E+00 ppm1      2.355 ppm2      7.580
 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  3452 weight  0.10000E+01 volume  0.27600E+00 ppm1      2.355 ppm2      1.587
 ASSI (
     (segid "    " and resid "45  " and name "HG1 ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  3446 weight  0.10000E+01 volume  0.23700E+00 ppm1      2.416 ppm2      1.588
 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3456 weight  0.10000E+01 volume  0.50500E+00 ppm1      2.355 ppm2      7.410
 ASSI (
     (segid "    " and resid "45  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3450 weight  0.10000E+01 volume  0.42800E+00 ppm1      2.417 ppm2      7.411
 ASSI (
     (segid "    " and resid "45  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3451 weight  0.10000E+01 volume  0.27000E+00 ppm1      2.418 ppm2      7.580
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3321 weight  0.10000E+01 volume  0.17400E+00 ppm1      2.720 ppm2      8.398
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
  OR 
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3333 weight  0.10000E+01 volume  0.12100E+00 ppm1      2.096 ppm2      5.467
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  3313 weight  0.10000E+01 volume  0.10400E+00 ppm1      2.720 ppm2      1.564
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3335 weight  0.10000E+01 volume  0.16200E+00 ppm1      2.090 ppm2      8.398
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3332 weight  0.10000E+01 volume  0.53600E+00 ppm1      2.094 ppm2      4.401
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3324 weight  0.10000E+01 volume  0.11560E+01 ppm1      2.095 ppm2      0.697
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3330 weight  0.10000E+01 volume  0.11100E+00 ppm1      2.089 ppm2      3.336
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3317 weight  0.10000E+01 volume  0.13500E+00 ppm1      2.720 ppm2      3.339
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3323 weight  0.10000E+01 volume  0.33500E+00 ppm1      2.720 ppm2      8.955
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3318 weight  0.10000E+01 volume  0.52700E+00 ppm1      2.720 ppm2      4.405
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3325 weight  0.10000E+01 volume  0.13400E+00 ppm1      2.094 ppm2      1.573
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3331 weight  0.10000E+01 volume  0.11200E+00 ppm1      2.094 ppm2      3.147
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3336 weight  0.10000E+01 volume  0.12100E+00 ppm1      2.094 ppm2      8.554
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3322 weight  0.10000E+01 volume  0.11600E+00 ppm1      2.718 ppm2      8.551
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3337 weight  0.10000E+01 volume  0.32200E+00 ppm1      2.089 ppm2      8.951
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1819 weight  0.10000E+01 volume  0.60800E+00 ppm1      1.969 ppm2      2.293
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3122 weight  0.10000E+01 volume  0.31800E+00 ppm1      1.971 ppm2      4.489
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3124 weight  0.10000E+01 volume  0.54600E+00 ppm1      1.971 ppm2      8.705
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3125 weight  0.10000E+01 volume  0.10920E+01 ppm1      1.971 ppm2      9.347
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3837 weight  0.10000E+01 volume  0.92000E-01 ppm1      2.458 ppm2      6.162
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3851 weight  0.10000E+01 volume  0.10400E+00 ppm1      2.237 ppm2      6.172
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3835 weight  0.10000E+01 volume  0.55500E+00 ppm1      2.456 ppm2      3.055
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3838 weight  0.10000E+01 volume  0.62100E+00 ppm1      2.456 ppm2      7.561
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3856 weight  0.10000E+01 volume  0.11400E+00 ppm1      2.246 ppm2     10.307
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3849 weight  0.10000E+01 volume  0.37200E+00 ppm1      2.245 ppm2      3.055
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3852 weight  0.10000E+01 volume  0.51700E+00 ppm1      2.241 ppm2      7.556
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3855 weight  0.10000E+01 volume  0.20200E+00 ppm1      2.243 ppm2      9.015
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3843 weight  0.10000E+01 volume  0.18400E+00 ppm1      2.455 ppm2     10.311
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
  OR 
     (segid "    " and resid "56  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3841 weight  0.10000E+01 volume  0.12800E+00 ppm1      2.457 ppm2      9.004
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3840 weight  0.10000E+01 volume  0.96000E-01 ppm1      2.456 ppm2      8.211
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3854 weight  0.10000E+01 volume  0.10600E+00 ppm1      2.243 ppm2      8.204
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3842 weight  0.10000E+01 volume  0.64000E-01 ppm1      2.454 ppm2      8.677
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3033 weight  0.10000E+01 volume  0.44700E+00 ppm1      1.694 ppm2      1.376
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3044 weight  0.10000E+01 volume  0.30500E+00 ppm1      1.692 ppm2      9.342
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3039 weight  0.10000E+01 volume  0.12300E+00 ppm1      1.693 ppm2      4.630
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3045 weight  0.10000E+01 volume  0.18400E+00 ppm1      1.696 ppm2      9.807
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3043 weight  0.10000E+01 volume  0.10780E+01 ppm1      1.696 ppm2      9.036
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3031 weight  0.10000E+01 volume  0.78100E+00 ppm1      1.696 ppm2      1.089
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3027 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.696 ppm2      0.224
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
  OR 
     (segid "    " and resid "53  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3035 weight  0.10000E+01 volume  0.22700E+00 ppm1      1.692 ppm2      2.010
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3037 weight  0.10000E+01 volume  0.12100E+00 ppm1      1.696 ppm2      3.911
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
  OR 
     (segid "    " and resid "30  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3042 weight  0.10000E+01 volume  0.13200E+00 ppm1      1.696 ppm2      8.685
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "29  " and name "HE22")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3041 weight  0.10000E+01 volume  0.10700E+00 ppm1      1.690 ppm2      6.710
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3036 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.696 ppm2      2.838
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3038 weight  0.10000E+01 volume  0.12200E+00 ppm1      1.696 ppm2      4.055
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1793 weight  0.10000E+01 volume  0.12700E+00 ppm1      2.710 ppm2      4.238
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      5.000     5.000     0.000 peak  1791 weight  0.10000E+01 volume  0.14520E+01 ppm1      2.713 ppm2      0.741
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG12")
 )
      6.000     6.000     0.000 peak  3781 weight  0.10000E+01 volume  0.21200E+00 ppm1      2.710 ppm2      0.844
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1795 weight  0.10000E+01 volume  0.30200E+00 ppm1      2.712 ppm2      4.603
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  1792 weight  0.10000E+01 volume  0.13500E+00 ppm1      2.709 ppm2      1.727
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "9   " and name "HD21")
 )
      5.000     5.000     0.000 peak  1797 weight  0.10000E+01 volume  0.10460E+01 ppm1      2.711 ppm2      7.577
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1798 weight  0.10000E+01 volume  0.64100E+00 ppm1      2.708 ppm2      7.691
 ASSI (
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1799 weight  0.10000E+01 volume  0.10970E+01 ppm1      2.715 ppm2      9.140
 ASSI (
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )(
     (segid "    " and resid "9   " and name "HD22")
 )
      5.000     5.000     0.000 peak  1796 weight  0.10000E+01 volume  0.56000E+00 ppm1      2.708 ppm2      6.855
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HG11")
  OR 
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2781 weight  0.10000E+01 volume  0.42200E+00 ppm1      2.825 ppm2      1.372
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2784 weight  0.10000E+01 volume  0.30000E+00 ppm1      2.819 ppm2      4.501
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2801 weight  0.10000E+01 volume  0.84400E+00 ppm1      2.702 ppm2      8.685
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HG11")
  OR 
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2793 weight  0.10000E+01 volume  0.47200E+00 ppm1      2.702 ppm2      1.381
 ASSI (
     (segid "    " and resid "75  " and name "HB1 ")
  OR 
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "76  " and name "HN  ")
  OR 
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2789 weight  0.10000E+01 volume  0.31900E+00 ppm1      2.821 ppm2      7.975
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      5.000     5.000     0.000 peak  2798 weight  0.10000E+01 volume  0.59000E+00 ppm1      2.702 ppm2      7.299
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2799 weight  0.10000E+01 volume  0.44800E+00 ppm1      2.702 ppm2      7.809
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2788 weight  0.10000E+01 volume  0.46900E+00 ppm1      2.821 ppm2      7.813
 ASSI (
     (segid "    " and resid "75  " and name "HB2 ")
  OR 
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "76  " and name "HN  ")
  OR 
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2800 weight  0.10000E+01 volume  0.35100E+00 ppm1      2.702 ppm2      7.976
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2794 weight  0.10000E+01 volume  0.20300E+00 ppm1      2.709 ppm2      4.196
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2790 weight  0.10000E+01 volume  0.85700E+00 ppm1      2.821 ppm2      8.686
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      5.000     5.000     0.000 peak  2787 weight  0.10000E+01 volume  0.69500E+00 ppm1      2.821 ppm2      7.299
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2783 weight  0.10000E+01 volume  0.26700E+00 ppm1      2.821 ppm2      4.199
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      5.000     5.000     0.000 peak  2786 weight  0.10000E+01 volume  0.39400E+00 ppm1      2.821 ppm2      6.776
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
  OR 
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2914 weight  0.10000E+01 volume  0.90000E-01 ppm1      2.984 ppm2      4.229
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      5.000     5.000     0.000 peak  2797 weight  0.10000E+01 volume  0.39000E+00 ppm1      2.702 ppm2      6.777
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2908 weight  0.10000E+01 volume  0.12700E+00 ppm1      2.986 ppm2      0.734
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2909 weight  0.10000E+01 volume  0.13900E+00 ppm1      2.981 ppm2      1.017
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2895 weight  0.10000E+01 volume  0.19600E+00 ppm1      3.814 ppm2      1.019
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2926 weight  0.10000E+01 volume  0.16800E+00 ppm1      2.989 ppm2      2.609
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2915 weight  0.10000E+01 volume  0.40200E+00 ppm1      2.985 ppm2      4.494
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2900 weight  0.10000E+01 volume  0.49700E+00 ppm1      3.815 ppm2      4.500
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      5.000     5.000     0.000 peak  2917 weight  0.10000E+01 volume  0.42900E+00 ppm1      2.989 ppm2      6.776
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  2918 weight  0.10000E+01 volume  0.29700E+00 ppm1      2.986 ppm2      7.301
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2919 weight  0.10000E+01 volume  0.10200E+01 ppm1      2.985 ppm2      7.639
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2920 weight  0.10000E+01 volume  0.25200E+00 ppm1      2.988 ppm2      7.996
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
  OR 
     (segid "    " and resid "11  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2905 weight  0.10000E+01 volume  0.15800E+00 ppm1      3.814 ppm2      8.194
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2921 weight  0.10000E+01 volume  0.15400E+00 ppm1      2.988 ppm2      8.196
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2922 weight  0.10000E+01 volume  0.21600E+00 ppm1      2.980 ppm2      8.332
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2906 weight  0.10000E+01 volume  0.16600E+00 ppm1      3.814 ppm2      8.330
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2894 weight  0.10000E+01 volume  0.80000E-01 ppm1      3.811 ppm2      0.730
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      6.000     6.000     0.000 peak  2902 weight  0.10000E+01 volume  0.27500E+00 ppm1      3.814 ppm2      6.777
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2904 weight  0.10000E+01 volume  0.65300E+00 ppm1      3.812 ppm2      7.637
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  2903 weight  0.10000E+01 volume  0.18100E+00 ppm1      3.815 ppm2      7.301
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2897 weight  0.10000E+01 volume  0.23700E+00 ppm1      3.815 ppm2      2.620
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
  OR 
     (segid "    " and resid "31  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2907 weight  0.10000E+01 volume  0.14600E+00 ppm1      3.812 ppm2      7.999
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2910 weight  0.10000E+01 volume  0.17600E+00 ppm1      2.983 ppm2      1.991
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2896 weight  0.10000E+01 volume  0.14300E+00 ppm1      3.816 ppm2      1.992
 ASSI (
     (segid "    " and resid "75  " and name "HB1 ")
 )(
     (segid "    " and resid "75  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8635 weight  0.10000E+01 volume  0.13700E+00 ppm1      2.820 ppm2      8.439
 ASSI (
     (segid "    " and resid "75  " and name "HB2 ")
 )(
     (segid "    " and resid "75  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8636 weight  0.10000E+01 volume  0.14500E+00 ppm1      2.691 ppm2      8.437
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4339 weight  0.10000E+01 volume  0.11800E+00 ppm1      2.887 ppm2      2.127
 ASSI (
     (segid "    " and resid "66  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4345 weight  0.10000E+01 volume  0.75800E+00 ppm1      2.684 ppm2      4.067
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4341 weight  0.10000E+01 volume  0.67100E+00 ppm1      2.889 ppm2      4.072
 ASSI (
     (segid "    " and resid "66  " and name "HB1 ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4347 weight  0.10000E+01 volume  0.63200E+00 ppm1      2.682 ppm2      7.924
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4343 weight  0.10000E+01 volume  0.60600E+00 ppm1      2.890 ppm2      7.926
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4344 weight  0.10000E+01 volume  0.81800E+00 ppm1      2.889 ppm2      8.907
 ASSI (
     (segid "    " and resid "66  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4348 weight  0.10000E+01 volume  0.92400E+00 ppm1      2.684 ppm2      8.910
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      6.000     6.000     0.000 peak  1909 weight  0.10000E+01 volume  0.21500E+00 ppm1      3.030 ppm2      4.282
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      6.000     6.000     0.000 peak  1903 weight  0.10000E+01 volume  0.13900E+00 ppm1      3.031 ppm2      0.752
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "36  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  1904 weight  0.10000E+01 volume  0.86400E+00 ppm1      3.029 ppm2      1.377
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1919 weight  0.10000E+01 volume  0.21900E+00 ppm1      2.622 ppm2      1.669
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6775 weight  0.10000E+01 volume  0.89700E+00 ppm1      3.027 ppm2      2.526
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  1908 weight  0.10000E+01 volume  0.25100E+00 ppm1      3.032 ppm2      3.710
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  1922 weight  0.10000E+01 volume  0.39500E+00 ppm1      2.623 ppm2      3.724
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1910 weight  0.10000E+01 volume  0.18900E+00 ppm1      3.034 ppm2      4.485
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      6.000     6.000     0.000 peak  1924 weight  0.10000E+01 volume  0.15800E+00 ppm1      2.621 ppm2      6.777
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1914 weight  0.10000E+01 volume  0.53200E+00 ppm1      3.030 ppm2      8.031
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1926 weight  0.10000E+01 volume  0.48700E+00 ppm1      2.619 ppm2      8.032
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1927 weight  0.10000E+01 volume  0.62500E+00 ppm1      2.619 ppm2      8.193
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1915 weight  0.10000E+01 volume  0.86000E+00 ppm1      3.031 ppm2      8.198
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  1913 weight  0.10000E+01 volume  0.28500E+00 ppm1      3.030 ppm2      7.302
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      6.000     6.000     0.000 peak  1912 weight  0.10000E+01 volume  0.28100E+00 ppm1      3.030 ppm2      6.778
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  1905 weight  0.10000E+01 volume  0.19400E+00 ppm1      3.030 ppm2      1.662
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  1906 weight  0.10000E+01 volume  0.37400E+00 ppm1      3.030 ppm2      1.928
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      6.000     6.000     0.000 peak  1916 weight  0.10000E+01 volume  0.14100E+00 ppm1      2.621 ppm2      0.747
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  1925 weight  0.10000E+01 volume  0.19200E+00 ppm1      2.619 ppm2      7.303
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4557 weight  0.10000E+01 volume  0.28100E+00 ppm1      2.685 ppm2      3.511
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4556 weight  0.10000E+01 volume  0.23750E+01 ppm1      2.685 ppm2      4.311
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4559 weight  0.10000E+01 volume  0.16940E+01 ppm1      2.684 ppm2      4.451
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4558 weight  0.10000E+01 volume  0.19700E+00 ppm1      2.685 ppm2      7.298
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4560 weight  0.10000E+01 volume  0.13350E+01 ppm1      2.688 ppm2      8.074
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4561 weight  0.10000E+01 volume  0.20040E+01 ppm1      2.686 ppm2      8.691
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
  OR 
     (segid "    " and resid "9   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1816 weight  0.10000E+01 volume  0.10200E+00 ppm1      1.725 ppm2      4.462
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2873 weight  0.10000E+01 volume  0.28800E+00 ppm1      1.727 ppm2      1.024
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1817 weight  0.10000E+01 volume  0.49600E+00 ppm1      1.729 ppm2      7.689
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1818 weight  0.10000E+01 volume  0.52800E+00 ppm1      1.731 ppm2      8.202
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2817 weight  0.10000E+01 volume  0.16600E+00 ppm1      1.771 ppm2      3.780
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  1764 weight  0.10000E+01 volume  0.18200E+00 ppm1      2.929 ppm2      1.011
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  1774 weight  0.10000E+01 volume  0.18100E+00 ppm1      2.619 ppm2      1.013
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1778 weight  0.10000E+01 volume  0.17300E+00 ppm1      2.625 ppm2      4.480
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1781 weight  0.10000E+01 volume  0.40700E+00 ppm1      2.619 ppm2      7.685
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2820 weight  0.10000E+01 volume  0.11800E+00 ppm1      1.770 ppm2      3.357
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1768 weight  0.10000E+01 volume  0.18900E+00 ppm1      2.926 ppm2      4.482
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1783 weight  0.10000E+01 volume  0.18300E+00 ppm1      2.621 ppm2      9.139
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1773 weight  0.10000E+01 volume  0.22900E+00 ppm1      2.926 ppm2      9.135
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1771 weight  0.10000E+01 volume  0.50500E+00 ppm1      2.930 ppm2      7.687
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1772 weight  0.10000E+01 volume  0.68100E+00 ppm1      2.930 ppm2      8.470
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1780 weight  0.10000E+01 volume  0.26800E+00 ppm1      2.622 ppm2      5.039
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
  OR 
     (segid "    " and resid "7   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1777 weight  0.10000E+01 volume  0.25600E+00 ppm1      2.619 ppm2      4.247
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1782 weight  0.10000E+01 volume  0.89900E+00 ppm1      2.627 ppm2      8.474
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
  OR 
     (segid "    " and resid "7   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1767 weight  0.10000E+01 volume  0.22700E+00 ppm1      2.925 ppm2      4.242
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2571 weight  0.10000E+01 volume  0.22100E+00 ppm1      1.768 ppm2      7.674
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2572 weight  0.10000E+01 volume  0.24100E+00 ppm1      1.771 ppm2      8.822
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  1766 weight  0.10000E+01 volume  0.37500E+00 ppm1      2.930 ppm2      3.831
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4275 weight  0.10000E+01 volume  0.57400E+00 ppm1      2.106 ppm2      3.361
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4286 weight  0.10000E+01 volume  0.44700E+00 ppm1      1.688 ppm2      3.363
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4288 weight  0.10000E+01 volume  0.70100E+00 ppm1      1.687 ppm2      6.710
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  4289 weight  0.10000E+01 volume  0.44300E+00 ppm1      1.687 ppm2      6.819
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  4290 weight  0.10000E+01 volume  0.98000E-01 ppm1      1.686 ppm2      6.975
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "68  " and name "HN  ")
  OR 
     (segid "    " and resid "67  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4291 weight  0.10000E+01 volume  0.13800E+00 ppm1      1.682 ppm2      7.883
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4279 weight  0.10000E+01 volume  0.10880E+01 ppm1      2.110 ppm2      8.527
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4292 weight  0.10000E+01 volume  0.87500E+00 ppm1      1.686 ppm2      8.529
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4281 weight  0.10000E+01 volume  0.44700E+00 ppm1      2.110 ppm2      8.909
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4293 weight  0.10000E+01 volume  0.38700E+00 ppm1      1.687 ppm2      8.910
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4280 weight  0.10000E+01 volume  0.92000E-01 ppm1      2.103 ppm2      8.131
 ASSI (
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3794 weight  0.10000E+01 volume  0.10400E+00 ppm1      2.954 ppm2      8.204
 ASSI (
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3790 weight  0.10000E+01 volume  0.65400E+00 ppm1      2.954 ppm2      1.759
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6885 weight  0.10000E+01 volume  0.35600E+00 ppm1      2.745 ppm2      3.221
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2170 weight  0.10000E+01 volume  0.30100E+00 ppm1      2.740 ppm2      3.499
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2171 weight  0.10000E+01 volume  0.10800E+00 ppm1      2.742 ppm2      4.135
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2172 weight  0.10000E+01 volume  0.83000E-01 ppm1      2.743 ppm2      4.452
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4073 weight  0.10000E+01 volume  0.11600E+00 ppm1      2.792 ppm2      7.560
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4069 weight  0.10000E+01 volume  0.53100E+00 ppm1      2.795 ppm2      3.603
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4068 weight  0.10000E+01 volume  0.14310E+01 ppm1      2.797 ppm2      3.994
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
  OR 
     (segid "    " and resid "18  " and name "HE2 ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
  OR 
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  4072 weight  0.10000E+01 volume  0.18200E+00 ppm1      2.796 ppm2      7.298
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4071 weight  0.10000E+01 volume  0.11900E+00 ppm1      2.796 ppm2      6.949
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4075 weight  0.10000E+01 volume  0.10300E+00 ppm1      2.793 ppm2      8.211
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4074 weight  0.10000E+01 volume  0.12700E+00 ppm1      2.797 ppm2      7.911
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
  OR 
     (segid "    " and resid "41  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  2718 weight  0.10000E+01 volume  0.12700E+00 ppm1      2.551 ppm2      1.675
 ASSI (
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  2974 weight  0.10000E+01 volume  0.30000E+00 ppm1      2.977 ppm2      1.920
 ASSI (
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
  OR 
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2975 weight  0.10000E+01 volume  0.25300E+00 ppm1      2.977 ppm2      3.845
 ASSI (
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4521 weight  0.10000E+01 volume  0.40500E+00 ppm1      2.975 ppm2      4.371
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
 )
      5.000     5.000     0.000 peak  2706 weight  0.10000E+01 volume  0.13130E+01 ppm1      2.822 ppm2      0.719
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2707 weight  0.10000E+01 volume  0.74000E+00 ppm1      2.821 ppm2      0.833
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2709 weight  0.10000E+01 volume  0.23900E+00 ppm1      2.821 ppm2      4.979
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2722 weight  0.10000E+01 volume  0.29500E+00 ppm1      2.554 ppm2      4.985
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2728 weight  0.10000E+01 volume  0.17900E+00 ppm1      2.555 ppm2      7.855
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2726 weight  0.10000E+01 volume  0.44600E+00 ppm1      2.555 ppm2      8.702
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2719 weight  0.10000E+01 volume  0.86000E-01 ppm1      2.551 ppm2      1.848
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2714 weight  0.10000E+01 volume  0.50400E+00 ppm1      2.822 ppm2      8.702
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "73  " and name "HB  ")
  OR 
     (segid "    " and resid "69  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3086 weight  0.10000E+01 volume  0.31700E+00 ppm1      1.613 ppm2      4.212
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "73  " and name "HB  ")
  OR 
     (segid "    " and resid "71  " and name "HA  ")
  OR 
     (segid "    " and resid "69  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3080 weight  0.10000E+01 volume  0.75700E+00 ppm1      1.741 ppm2      4.212
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4404 weight  0.10000E+01 volume  0.17700E+01 ppm1      1.738 ppm2      7.850
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "72  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4406 weight  0.10000E+01 volume  0.14120E+01 ppm1      1.619 ppm2      7.852
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2715 weight  0.10000E+01 volume  0.83000E-01 ppm1      2.819 ppm2      8.533
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2727 weight  0.10000E+01 volume  0.10300E+00 ppm1      2.551 ppm2      8.533
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2188 weight  0.10000E+01 volume  0.49900E+00 ppm1      1.311 ppm2      1.000
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2193 weight  0.10000E+01 volume  0.22300E+00 ppm1      1.316 ppm2      3.444
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2196 weight  0.10000E+01 volume  0.11520E+01 ppm1      1.315 ppm2      5.312
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2194 weight  0.10000E+01 volume  0.20700E+00 ppm1      1.314 ppm2      3.605
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3680 weight  0.10000E+01 volume  0.55700E+00 ppm1      3.051 ppm2      2.251
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3003 weight  0.10000E+01 volume  0.22900E+00 ppm1      3.049 ppm2      1.923
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7849 weight  0.10000E+01 volume  0.39400E+00 ppm1      2.442 ppm2      2.245
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3683 weight  0.10000E+01 volume  0.50000E+00 ppm1      3.048 ppm2      4.783
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3693 weight  0.10000E+01 volume  0.60400E+00 ppm1      2.443 ppm2      4.793
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3684 weight  0.10000E+01 volume  0.16500E+00 ppm1      3.047 ppm2      7.569
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3695 weight  0.10000E+01 volume  0.66800E+00 ppm1      2.445 ppm2      8.672
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3685 weight  0.10000E+01 volume  0.62800E+00 ppm1      3.048 ppm2      8.672
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3694 weight  0.10000E+01 volume  0.13900E+00 ppm1      2.446 ppm2      7.565
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HD21")
  OR 
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      3.300     3.300     0.000 peak  3398 weight  0.10000E+01 volume  0.17320E+01 ppm1      1.703 ppm2      0.750
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2478 weight  0.10000E+01 volume  0.76900E+00 ppm1      1.697 ppm2      1.346
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  2481 weight  0.10000E+01 volume  0.19200E+00 ppm1      1.702 ppm2      3.448
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2485 weight  0.10000E+01 volume  0.33900E+00 ppm1      1.702 ppm2      4.862
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2486 weight  0.10000E+01 volume  0.15200E+00 ppm1      1.700 ppm2      5.451
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2487 weight  0.10000E+01 volume  0.22000E+01 ppm1      1.703 ppm2      7.729
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2489 weight  0.10000E+01 volume  0.16600E+00 ppm1      1.709 ppm2      8.432
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2488 weight  0.10000E+01 volume  0.24700E+00 ppm1      1.701 ppm2      8.649
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2482 weight  0.10000E+01 volume  0.11900E+00 ppm1      1.704 ppm2      3.616
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )(
     (segid "    " and resid "47  " and name "HE  ")
 )
      5.000     5.000     0.000 peak  4524 weight  0.10000E+01 volume  0.78600E+00 ppm1      3.164 ppm2      7.076
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      5.000     5.000     0.000 peak  4525 weight  0.10000E+01 volume  0.32000E+00 ppm1      3.174 ppm2      6.564
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
  OR 
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
  OR 
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2994 weight  0.10000E+01 volume  0.50800E+00 ppm1      3.186 ppm2      0.728
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
  OR 
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
  OR 
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )
      5.000     5.000     0.000 peak  2993 weight  0.10000E+01 volume  0.65900E+00 ppm1      3.187 ppm2      0.818
 ASSI (
     (segid "    " and resid "74  " and name "HD2 ")
  OR 
     (segid "    " and resid "74  " and name "HD1 ")
  OR 
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )(
     (segid "    " and resid "74  " and name "HE  ")
  OR 
     (segid "    " and resid "67  " and name "HE  ")
  OR 
     (segid "    " and resid "44  " and name "HE  ")
  OR 
     (segid "    " and resid "37  " and name "HE  ")
 )
      3.300     3.300     0.000 peak  4523 weight  0.10000E+01 volume  0.23890E+01 ppm1      3.172 ppm2      7.209
 ASSI (
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
  OR 
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )(
     (segid "    " and resid "68  " and name "HN  ")
  OR 
     (segid "    " and resid "48  " and name "HN  ")
  OR 
     (segid "    " and resid "38  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4522 weight  0.10000E+01 volume  0.36500E+00 ppm1      3.173 ppm2      7.834
 ASSI (
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2996 weight  0.10000E+01 volume  0.15900E+00 ppm1      3.183 ppm2      8.293
 ASSI (
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2995 weight  0.10000E+01 volume  0.22700E+00 ppm1      3.188 ppm2      8.654
 ASSI (
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2842 weight  0.10000E+01 volume  0.12440E+01 ppm1      3.181 ppm2      4.243
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG12")
 )
      5.000     5.000     0.000 peak  2448 weight  0.10000E+01 volume  0.14420E+01 ppm1      1.569 ppm2      0.833
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2874 weight  0.10000E+01 volume  0.43600E+00 ppm1      1.019 ppm2      1.726
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3540 weight  0.10000E+01 volume  0.12300E+00 ppm1      1.017 ppm2      4.417
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3531 weight  0.10000E+01 volume  0.19200E+00 ppm1      1.570 ppm2      4.419
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3542 weight  0.10000E+01 volume  0.97000E-01 ppm1      1.018 ppm2      5.630
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3543 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.019 ppm2      7.858
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3534 weight  0.10000E+01 volume  0.86500E+00 ppm1      1.569 ppm2      7.859
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3535 weight  0.10000E+01 volume  0.28900E+00 ppm1      1.571 ppm2      8.973
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3544 weight  0.10000E+01 volume  0.41700E+00 ppm1      1.021 ppm2      8.975
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3533 weight  0.10000E+01 volume  0.97000E-01 ppm1      1.572 ppm2      5.619
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3594 weight  0.10000E+01 volume  0.10200E+00 ppm1      3.097 ppm2      5.472
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
  OR 
     (segid "    " and resid "24  " and name "HD23")
 )
      5.000     5.000     0.000 peak  2647 weight  0.10000E+01 volume  0.36600E+00 ppm1      2.560 ppm2      0.813
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2646 weight  0.10000E+01 volume  0.27800E+00 ppm1      3.102 ppm2      0.813
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "41  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  3603 weight  0.10000E+01 volume  0.15400E+00 ppm1      2.559 ppm2      1.659
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3590 weight  0.10000E+01 volume  0.25600E+00 ppm1      3.098 ppm2      1.827
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3604 weight  0.10000E+01 volume  0.35100E+00 ppm1      2.563 ppm2      1.833
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3606 weight  0.10000E+01 volume  0.39500E+00 ppm1      2.560 ppm2      4.302
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3592 weight  0.10000E+01 volume  0.56000E+00 ppm1      3.101 ppm2      4.304
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3593 weight  0.10000E+01 volume  0.70800E+00 ppm1      3.101 ppm2      4.710
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3608 weight  0.10000E+01 volume  0.12700E+00 ppm1      2.559 ppm2      5.470
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3598 weight  0.10000E+01 volume  0.38800E+00 ppm1      3.099 ppm2      8.974
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3611 weight  0.10000E+01 volume  0.48200E+00 ppm1      2.559 ppm2      8.977
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3612 weight  0.10000E+01 volume  0.34800E+00 ppm1      2.559 ppm2      9.218
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3597 weight  0.10000E+01 volume  0.49900E+00 ppm1      3.103 ppm2      9.218
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3613 weight  0.10000E+01 volume  0.12400E+00 ppm1      2.561 ppm2      9.407
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2506 weight  0.10000E+01 volume  0.12500E+00 ppm1      1.285 ppm2      5.452
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      5.000     5.000     0.000 peak  7092 weight  0.10000E+01 volume  0.11910E+01 ppm1      2.163 ppm2      0.757
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      3.300     3.300     0.000 peak  2253 weight  0.10000E+01 volume  0.22920E+01 ppm1      1.287 ppm2      0.825
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HD11")
  OR 
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      3.300     3.300     0.000 peak  7095 weight  0.10000E+01 volume  0.17400E+01 ppm1      2.163 ppm2      0.825
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2494 weight  0.10000E+01 volume  0.32800E+00 ppm1      2.164 ppm2      3.680
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2505 weight  0.10000E+01 volume  0.56600E+00 ppm1      1.281 ppm2      4.690
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2495 weight  0.10000E+01 volume  0.46300E+00 ppm1      2.164 ppm2      4.691
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2496 weight  0.10000E+01 volume  0.11700E+00 ppm1      2.161 ppm2      5.457
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2507 weight  0.10000E+01 volume  0.91300E+00 ppm1      1.283 ppm2      7.694
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2497 weight  0.10000E+01 volume  0.12760E+01 ppm1      2.162 ppm2      7.694
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2508 weight  0.10000E+01 volume  0.28400E+00 ppm1      1.284 ppm2      8.823
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2498 weight  0.10000E+01 volume  0.18600E+00 ppm1      2.163 ppm2      8.823
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      6.000     6.000     0.000 peak  3222 weight  0.10000E+01 volume  0.11000E+00 ppm1      1.480 ppm2      0.241
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "24  " and name "HD23")
 )
      3.300     3.300     0.000 peak  7510 weight  0.10000E+01 volume  0.17670E+01 ppm1      1.827 ppm2      0.797
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      3.300     3.300     0.000 peak  2401 weight  0.10000E+01 volume  0.22160E+01 ppm1      1.486 ppm2      0.798
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3226 weight  0.10000E+01 volume  0.24800E+00 ppm1      1.481 ppm2      2.564
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3227 weight  0.10000E+01 volume  0.10200E+00 ppm1      1.486 ppm2      3.102
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3229 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.482 ppm2      8.548
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3220 weight  0.10000E+01 volume  0.15500E+00 ppm1      1.823 ppm2      8.549
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3219 weight  0.10000E+01 volume  0.14700E+00 ppm1      1.824 ppm2      8.973
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3230 weight  0.10000E+01 volume  0.83000E-01 ppm1      1.481 ppm2      8.977
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3231 weight  0.10000E+01 volume  0.34200E+00 ppm1      1.481 ppm2      9.416
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3221 weight  0.10000E+01 volume  0.51600E+00 ppm1      1.825 ppm2      9.417
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3218 weight  0.10000E+01 volume  0.12400E+00 ppm1      1.826 ppm2      7.143
 ASSI (
     (segid "    " and resid "4   " and name "HA2 ")
 )(
     (segid "    " and resid "5   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1707 weight  0.10000E+01 volume  0.92700E+00 ppm1      3.906 ppm2      8.146
 ASSI (
     (segid "    " and resid "4   " and name "HA1 ")
 )(
     (segid "    " and resid "5   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1706 weight  0.10000E+01 volume  0.91900E+00 ppm1      3.974 ppm2      8.148
 ASSI (
     (segid "    " and resid "35  " and name "HA1 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2930 weight  0.10000E+01 volume  0.15310E+01 ppm1      4.276 ppm2      8.027
 ASSI (
     (segid "    " and resid "35  " and name "HA2 ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2936 weight  0.10000E+01 volume  0.12190E+01 ppm1      3.657 ppm2      8.028
 ASSI (
     (segid "    " and resid "35  " and name "HA2 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2935 weight  0.10000E+01 volume  0.31200E+00 ppm1      3.655 ppm2      8.200
 ASSI (
     (segid "    " and resid "35  " and name "HA1 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2929 weight  0.10000E+01 volume  0.38400E+00 ppm1      4.276 ppm2      8.206
 ASSI (
     (segid "    " and resid "35  " and name "HA2 ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2934 weight  0.10000E+01 volume  0.15570E+01 ppm1      3.655 ppm2      8.329
 ASSI (
     (segid "    " and resid "35  " and name "HA1 ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2928 weight  0.10000E+01 volume  0.13940E+01 ppm1      4.278 ppm2      8.330
 ASSI (
     (segid "    " and resid "35  " and name "HA2 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1788 weight  0.10000E+01 volume  0.22900E+00 ppm1      3.651 ppm2      5.039
 ASSI (
     (segid "    " and resid "4   " and name "HA2 ")
 )(
     (segid "    " and resid "4   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8425 weight  0.10000E+01 volume  0.16200E+00 ppm1      3.904 ppm2      8.512
 ASSI (
     (segid "    " and resid "4   " and name "HA1 ")
 )(
     (segid "    " and resid "4   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8426 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.974 ppm2      8.518
 ASSI (
     (segid "    " and resid "35  " and name "HA1 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2925 weight  0.10000E+01 volume  0.21600E+00 ppm1      4.280 ppm2      5.037
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      6.000     6.000     0.000 peak  3626 weight  0.10000E+01 volume  0.17300E+00 ppm1      3.723 ppm2      0.746
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3639 weight  0.10000E+01 volume  0.49100E+00 ppm1      2.524 ppm2      2.653
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3632 weight  0.10000E+01 volume  0.21500E+00 ppm1      3.719 ppm2      4.697
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3633 weight  0.10000E+01 volume  0.32900E+00 ppm1      3.722 ppm2      4.831
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3643 weight  0.10000E+01 volume  0.25200E+00 ppm1      2.522 ppm2      4.846
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3646 weight  0.10000E+01 volume  0.65700E+00 ppm1      2.527 ppm2      9.218
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3635 weight  0.10000E+01 volume  0.85600E+00 ppm1      3.720 ppm2      9.221
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3645 weight  0.10000E+01 volume  0.33200E+00 ppm1      2.522 ppm2      9.811
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3642 weight  0.10000E+01 volume  0.11300E+00 ppm1      2.521 ppm2      4.690
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3636 weight  0.10000E+01 volume  0.22300E+00 ppm1      3.717 ppm2      9.811
 ASSI (
     (segid "    " and resid "76  " and name "HA2 ")
  OR 
     (segid "    " and resid "76  " and name "HA1 ")
 )(
     (segid "    " and resid "76  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4437 weight  0.10000E+01 volume  0.55800E+00 ppm1      3.726 ppm2      7.938
 ASSI (
     (segid "    " and resid "51  " and name "HA  ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4492 weight  0.10000E+01 volume  0.69500E+00 ppm1      4.849 ppm2      8.676
 ASSI (
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      6.000     6.000     0.000 peak  3746 weight  0.10000E+01 volume  0.28400E+00 ppm1      4.049 ppm2      0.696
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3760 weight  0.10000E+01 volume  0.15000E+00 ppm1      4.049 ppm2      8.677
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
  OR 
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3748 weight  0.10000E+01 volume  0.57700E+00 ppm1      4.048 ppm2      1.368
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3753 weight  0.10000E+01 volume  0.33100E+00 ppm1      4.047 ppm2      2.470
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3754 weight  0.10000E+01 volume  0.21900E+00 ppm1      4.049 ppm2      3.059
 ASSI (
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3756 weight  0.10000E+01 volume  0.11660E+01 ppm1      4.047 ppm2      4.641
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  3757 weight  0.10000E+01 volume  0.33070E+01 ppm1      4.047 ppm2      4.779
 ASSI (
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3761 weight  0.10000E+01 volume  0.53900E+00 ppm1      4.047 ppm2      9.043
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3759 weight  0.10000E+01 volume  0.94000E-01 ppm1      4.049 ppm2      7.813
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3758 weight  0.10000E+01 volume  0.53200E+00 ppm1      4.049 ppm2      8.203
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2337 weight  0.10000E+01 volume  0.11600E+00 ppm1      3.594 ppm2      5.318
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
  OR 
     (segid "    " and resid "18  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  2324 weight  0.10000E+01 volume  0.13600E+00 ppm1      3.594 ppm2      0.234
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      3.300     3.300     0.000 peak  2342 weight  0.10000E+01 volume  0.15610E+01 ppm1      3.438 ppm2      0.747
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3472 weight  0.10000E+01 volume  0.87200E+00 ppm1      3.440 ppm2      0.815
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  8529 weight  0.10000E+01 volume  0.33220E+01 ppm1      3.597 ppm2      4.145
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8531 weight  0.10000E+01 volume  0.24300E+01 ppm1      3.444 ppm2      4.146
 ASSI (
     (segid "    " and resid "38  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4459 weight  0.10000E+01 volume  0.12980E+01 ppm1      4.628 ppm2      9.031
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  2213 weight  0.10000E+01 volume  0.84000E-01 ppm1      1.458 ppm2      7.320
 ASSI (
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4439 weight  0.10000E+01 volume  0.74100E+00 ppm1      5.054 ppm2      8.192
 ASSI (
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4438 weight  0.10000E+01 volume  0.39800E+00 ppm1      5.056 ppm2      9.310
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
  OR 
     (segid "    " and resid "40  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3522 weight  0.10000E+01 volume  0.11600E+00 ppm1      5.457 ppm2      1.951
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
 )
      6.000     6.000     0.000 peak  3518 weight  0.10000E+01 volume  0.11500E+00 ppm1      5.458 ppm2      1.347
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
  OR 
     (segid "    " and resid "28  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  3523 weight  0.10000E+01 volume  0.11800E+00 ppm1      5.457 ppm2      2.101
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3524 weight  0.10000E+01 volume  0.78700E+00 ppm1      5.460 ppm2      5.630
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3526 weight  0.10000E+01 volume  0.47100E+00 ppm1      5.460 ppm2      7.853
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  3528 weight  0.10000E+01 volume  0.20390E+01 ppm1      5.460 ppm2      8.974
 ASSI (
     (segid "    " and resid "41  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4480 weight  0.10000E+01 volume  0.78500E+00 ppm1      4.972 ppm2      5.913
 ASSI (
     (segid "    " and resid "41  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4481 weight  0.10000E+01 volume  0.21220E+01 ppm1      4.972 ppm2      8.549
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "41  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3520 weight  0.10000E+01 volume  0.23600E+00 ppm1      5.459 ppm2      1.800
 ASSI (
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3600 weight  0.10000E+01 volume  0.10300E+01 ppm1      5.042 ppm2      2.626
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3602 weight  0.10000E+01 volume  0.90800E+00 ppm1      5.032 ppm2      2.934
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2893 weight  0.10000E+01 volume  0.85800E+00 ppm1      5.033 ppm2      7.642
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1761 weight  0.10000E+01 volume  0.11600E+01 ppm1      5.035 ppm2      8.340
 ASSI (
     (segid "    " and resid "71  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HN  ")
  OR 
     (segid "    " and resid "71  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  4400 weight  0.10000E+01 volume  0.48450E+01 ppm1      4.211 ppm2      7.822
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HG11")
 )
      6.000     6.000     0.000 peak  3272 weight  0.10000E+01 volume  0.15400E+00 ppm1      5.628 ppm2      1.033
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "48  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  3274 weight  0.10000E+01 volume  0.20900E+00 ppm1      5.626 ppm2      1.546
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3282 weight  0.10000E+01 volume  0.44700E+00 ppm1      5.626 ppm2      8.552
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  3283 weight  0.10000E+01 volume  0.25810E+01 ppm1      5.625 ppm2      8.955
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
  OR 
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      5.000     5.000     0.000 peak  3271 weight  0.10000E+01 volume  0.44500E+00 ppm1      5.625 ppm2      0.824
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3279 weight  0.10000E+01 volume  0.18200E+00 ppm1      5.625 ppm2      4.412
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3281 weight  0.10000E+01 volume  0.16600E+00 ppm1      5.627 ppm2      7.089
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2483 weight  0.10000E+01 volume  0.10700E+00 ppm1      5.620 ppm2      4.976
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
  OR 
     (segid "    " and resid "23  " and name "HD12")
 )
      5.000     5.000     0.000 peak  4387 weight  0.10000E+01 volume  0.34700E+00 ppm1      4.212 ppm2      0.925
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3238 weight  0.10000E+01 volume  0.63600E+00 ppm1      4.217 ppm2      1.745
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (segid "    " and resid "70  " and name "HN  ")
  OR 
     (segid "    " and resid "69  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4391 weight  0.10000E+01 volume  0.22440E+01 ppm1      4.215 ppm2      7.899
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3570 weight  0.10000E+01 volume  0.33200E+00 ppm1      4.166 ppm2      0.725
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3571 weight  0.10000E+01 volume  0.30100E+00 ppm1      4.166 ppm2      0.818
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2420 weight  0.10000E+01 volume  0.13100E+00 ppm1      4.169 ppm2      3.680
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2421 weight  0.10000E+01 volume  0.83400E+00 ppm1      4.168 ppm2      7.717
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2422 weight  0.10000E+01 volume  0.16860E+01 ppm1      4.167 ppm2      8.429
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3657 weight  0.10000E+01 volume  0.46000E+00 ppm1      4.097 ppm2      4.354
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2857 weight  0.10000E+01 volume  0.36700E+00 ppm1      4.097 ppm2      7.641
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2858 weight  0.10000E+01 volume  0.11190E+01 ppm1      4.100 ppm2      8.060
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2860 weight  0.10000E+01 volume  0.99800E+00 ppm1      4.100 ppm2      8.753
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
  OR 
     (segid "    " and resid "35  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2859 weight  0.10000E+01 volume  0.75000E-01 ppm1      4.104 ppm2      8.315
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4445 weight  0.10000E+01 volume  0.53900E+00 ppm1      4.474 ppm2      6.704
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4447 weight  0.10000E+01 volume  0.63800E+00 ppm1      4.474 ppm2      8.697
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4446 weight  0.10000E+01 volume  0.25950E+01 ppm1      4.474 ppm2      9.080
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
  OR 
     (segid "    " and resid "23  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  2833 weight  0.10000E+01 volume  0.15660E+01 ppm1      4.244 ppm2      1.580
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HE  ")
 )
      6.000     6.000     0.000 peak  2855 weight  0.10000E+01 volume  0.85000E-01 ppm1      4.241 ppm2      7.185
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2438 weight  0.10000E+01 volume  0.14070E+01 ppm1      4.245 ppm2      7.722
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2854 weight  0.10000E+01 volume  0.24900E+00 ppm1      4.246 ppm2      8.647
 ASSI (
     (segid "    " and resid "0   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4568 weight  0.10000E+01 volume  0.57400E+00 ppm1      4.076 ppm2      4.210
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4487 weight  0.10000E+01 volume  0.78800E+00 ppm1      4.406 ppm2      7.070
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  2744 weight  0.10000E+01 volume  0.10700E+00 ppm1      4.404 ppm2      7.161
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4488 weight  0.10000E+01 volume  0.28550E+01 ppm1      4.406 ppm2      7.859
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "9   " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2770 weight  0.10000E+01 volume  0.26500E+00 ppm1      4.444 ppm2      0.741
 ASSI (
     (segid "    " and resid "9   " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1789 weight  0.10000E+01 volume  0.48600E+00 ppm1      4.447 ppm2      7.690
 ASSI (
     (segid "    " and resid "9   " and name "HA  ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1790 weight  0.10000E+01 volume  0.73900E+00 ppm1      4.447 ppm2      9.137
 ASSI (
     (segid "    " and resid "9   " and name "HA  ")
 )(
     (segid "    " and resid "9   " and name "HD21")
 )
      6.000     6.000     0.000 peak  3778 weight  0.10000E+01 volume  0.13900E+00 ppm1      4.448 ppm2      7.552
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3676 weight  0.10000E+01 volume  0.44400E+00 ppm1      4.604 ppm2      7.688
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1762 weight  0.10000E+01 volume  0.99000E+00 ppm1      4.601 ppm2      8.469
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      3.300     3.300     0.000 peak  1763 weight  0.10000E+01 volume  0.18070E+01 ppm1      4.601 ppm2      9.132
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4084 weight  0.10000E+01 volume  0.95000E-01 ppm1      4.000 ppm2      2.571
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4085 weight  0.10000E+01 volume  0.14500E+00 ppm1      4.000 ppm2      2.711
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4089 weight  0.10000E+01 volume  0.10660E+01 ppm1      4.001 ppm2      8.083
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4091 weight  0.10000E+01 volume  0.29900E+00 ppm1      4.001 ppm2      8.237
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4092 weight  0.10000E+01 volume  0.18700E+00 ppm1      4.001 ppm2      8.527
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4093 weight  0.10000E+01 volume  0.57000E-01 ppm1      4.001 ppm2      8.690
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4088 weight  0.10000E+01 volume  0.94000E-01 ppm1      4.000 ppm2      7.700
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1951 weight  0.10000E+01 volume  0.33100E+00 ppm1      4.479 ppm2      8.098
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  1952 weight  0.10000E+01 volume  0.37580E+01 ppm1      4.478 ppm2      8.810
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  4090 weight  0.10000E+01 volume  0.97000E-01 ppm1      3.998 ppm2      6.999
 ASSI (
     (segid "    " and resid "72  " and name "HA  ")
 )(
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8359 weight  0.10000E+01 volume  0.22000E+00 ppm1      4.313 ppm2      1.431
 ASSI (
     (segid "    " and resid "72  " and name "HA  ")
 )(
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "72  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4402 weight  0.10000E+01 volume  0.17610E+01 ppm1      4.314 ppm2      7.856
 ASSI (
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2654 weight  0.10000E+01 volume  0.78800E+00 ppm1      4.993 ppm2      7.679
 ASSI (
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  2655 weight  0.10000E+01 volume  0.30640E+01 ppm1      4.993 ppm2      7.849
 ASSI (
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      5.000     5.000     0.000 peak  3389 weight  0.10000E+01 volume  0.99000E+00 ppm1      4.993 ppm2      0.758
 ASSI (
     (segid "    " and resid "45  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3424 weight  0.10000E+01 volume  0.94500E+00 ppm1      4.265 ppm2      7.410
 ASSI (
     (segid "    " and resid "45  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HE21")
  OR 
     (segid "    " and resid "31  " and name "HE21")
 )
      6.000     6.000     0.000 peak  1741 weight  0.10000E+01 volume  0.16300E+00 ppm1      4.255 ppm2      7.575
 ASSI (
     (segid "    " and resid "45  " and name "HA  ")
  OR 
     (segid "    " and resid "7   " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
  OR 
     (segid "    " and resid "7   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1742 weight  0.10000E+01 volume  0.12500E+01 ppm1      4.254 ppm2      8.398
 ASSI (
     (segid "    " and resid "7   " and name "HA  ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      2.700     2.700     0.000 peak  1743 weight  0.10000E+01 volume  0.31670E+01 ppm1      4.252 ppm2      8.472
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2814 weight  0.10000E+01 volume  0.53700E+00 ppm1      4.239 ppm2      1.414
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4515 weight  0.10000E+01 volume  0.10270E+01 ppm1      4.233 ppm2      1.988
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4516 weight  0.10000E+01 volume  0.13890E+01 ppm1      4.233 ppm2      2.198
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4514 weight  0.10000E+01 volume  0.68500E+00 ppm1      4.232 ppm2      7.976
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4513 weight  0.10000E+01 volume  0.25910E+01 ppm1      4.232 ppm2      8.753
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2690 weight  0.10000E+01 volume  0.45000E+00 ppm1      5.902 ppm2      0.836
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2702 weight  0.10000E+01 volume  0.46600E+00 ppm1      5.903 ppm2      7.855
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2703 weight  0.10000E+01 volume  0.32000E+00 ppm1      5.903 ppm2      8.547
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2704 weight  0.10000E+01 volume  0.18600E+01 ppm1      5.905 ppm2      8.699
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2705 weight  0.10000E+01 volume  0.10700E+00 ppm1      5.903 ppm2      9.349
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
  OR 
     (segid "    " and resid "40  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  2691 weight  0.10000E+01 volume  0.24700E+00 ppm1      5.900 ppm2      1.999
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2697 weight  0.10000E+01 volume  0.82000E-01 ppm1      5.898 ppm2      3.364
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  2693 weight  0.10000E+01 volume  0.18900E+00 ppm1      5.900 ppm2      2.138
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2698 weight  0.10000E+01 volume  0.19900E+00 ppm1      5.901 ppm2      4.487
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  2694 weight  0.10000E+01 volume  0.12300E+00 ppm1      5.899 ppm2      2.279
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  2692 weight  0.10000E+01 volume  0.16700E+00 ppm1      5.902 ppm2      1.670
 ASSI (
     (segid "    " and resid "74  " and name "HA  ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4426 weight  0.10000E+01 volume  0.95600E+00 ppm1      4.332 ppm2      8.169
 ASSI (
     (segid "    " and resid "74  " and name "HA  ")
 )(
     (segid "    " and resid "75  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4427 weight  0.10000E+01 volume  0.99200E+00 ppm1      4.329 ppm2      8.436
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3802 weight  0.10000E+01 volume  0.86600E+00 ppm1      4.146 ppm2      7.560
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  3804 weight  0.10000E+01 volume  0.33670E+01 ppm1      4.147 ppm2      9.024
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4519 weight  0.10000E+01 volume  0.17610E+01 ppm1      4.045 ppm2      1.683
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2938 weight  0.10000E+01 volume  0.71300E+00 ppm1      4.044 ppm2      8.028
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  2939 weight  0.10000E+01 volume  0.31400E+01 ppm1      4.044 ppm2      8.304
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3428 weight  0.10000E+01 volume  0.14580E+01 ppm1      4.507 ppm2      0.672
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4452 weight  0.10000E+01 volume  0.26510E+01 ppm1      4.508 ppm2      8.682
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4453 weight  0.10000E+01 volume  0.84900E+00 ppm1      4.508 ppm2      9.081
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3469 weight  0.10000E+01 volume  0.41800E+00 ppm1      4.509 ppm2      9.353
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2795 weight  0.10000E+01 volume  0.64600E+00 ppm1      4.401 ppm2      0.700
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3465 weight  0.10000E+01 volume  0.78800E+00 ppm1      4.394 ppm2      7.069
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3464 weight  0.10000E+01 volume  0.26700E+00 ppm1      4.394 ppm2      7.406
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  3466 weight  0.10000E+01 volume  0.25630E+01 ppm1      4.399 ppm2      8.398
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2816 weight  0.10000E+01 volume  0.24700E+00 ppm1      4.401 ppm2      8.945
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  3766 weight  0.10000E+01 volume  0.70000E-01 ppm1      3.978 ppm2      2.946
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
  OR 
     (segid "    " and resid "36  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7354 weight  0.10000E+01 volume  0.46500E+00 ppm1      4.180 ppm2      1.367
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2977 weight  0.10000E+01 volume  0.69200E+00 ppm1      4.178 ppm2      1.537
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2982 weight  0.10000E+01 volume  0.26670E+01 ppm1      4.179 ppm2      7.815
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2983 weight  0.10000E+01 volume  0.78200E+00 ppm1      4.179 ppm2      8.302
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3624 weight  0.10000E+01 volume  0.26300E+00 ppm1      5.113 ppm2      9.403
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3770 weight  0.10000E+01 volume  0.10540E+01 ppm1      3.986 ppm2      8.202
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4076 weight  0.10000E+01 volume  0.17370E+01 ppm1      4.306 ppm2      2.138
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4555 weight  0.10000E+01 volume  0.21400E+00 ppm1      4.300 ppm2      2.310
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4077 weight  0.10000E+01 volume  0.54400E+00 ppm1      4.305 ppm2      7.711
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
  OR 
     (segid "    " and resid "61  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4078 weight  0.10000E+01 volume  0.43200E+00 ppm1      4.303 ppm2      8.082
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4079 weight  0.10000E+01 volume  0.13300E+01 ppm1      4.304 ppm2      8.688
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3769 weight  0.10000E+01 volume  0.49700E+00 ppm1      3.983 ppm2      7.567
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG12")
 )
      5.000     5.000     0.000 peak  3615 weight  0.10000E+01 volume  0.30300E+00 ppm1      5.113 ppm2      0.838
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3682 weight  0.10000E+01 volume  0.64700E+00 ppm1      5.117 ppm2      4.909
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3686 weight  0.10000E+01 volume  0.20200E+00 ppm1      5.112 ppm2      9.030
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3623 weight  0.10000E+01 volume  0.50800E+00 ppm1      5.114 ppm2      9.224
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  3625 weight  0.10000E+01 volume  0.23260E+01 ppm1      5.113 ppm2      9.808
 ASSI (
     (segid "    " and resid "66  " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
  OR 
     (segid "    " and resid "68  " and name "HN  ")
  OR 
     (segid "    " and resid "67  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3211 weight  0.10000E+01 volume  0.11980E+01 ppm1      4.527 ppm2      7.909
 ASSI (
     (segid "    " and resid "66  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4506 weight  0.10000E+01 volume  0.11470E+01 ppm1      4.525 ppm2      8.905
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  3808 weight  0.10000E+01 volume  0.90200E+00 ppm1      4.141 ppm2      1.807
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3801 weight  0.10000E+01 volume  0.55700E+00 ppm1      4.143 ppm2      1.987
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2176 weight  0.10000E+01 volume  0.40300E+00 ppm1      4.138 ppm2      0.876
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2183 weight  0.10000E+01 volume  0.47800E+00 ppm1      4.142 ppm2      5.309
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3120 weight  0.10000E+01 volume  0.11360E+01 ppm1      4.087 ppm2      1.425
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HN  ")
  OR 
     (segid "    " and resid "68  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4370 weight  0.10000E+01 volume  0.22320E+01 ppm1      4.089 ppm2      7.909
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4466 weight  0.10000E+01 volume  0.62100E+00 ppm1      4.488 ppm2      8.686
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4467 weight  0.10000E+01 volume  0.29700E+00 ppm1      4.484 ppm2      9.035
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4468 weight  0.10000E+01 volume  0.16790E+01 ppm1      4.484 ppm2      9.343
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  2084 weight  0.10000E+01 volume  0.15190E+01 ppm1      0.675 ppm2      0.431
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  6838 weight  0.10000E+01 volume  0.31100E+00 ppm1      0.676 ppm2      1.308
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HG11")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2087 weight  0.10000E+01 volume  0.16600E+00 ppm1      0.673 ppm2      1.443
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2088 weight  0.10000E+01 volume  0.77000E-01 ppm1      0.675 ppm2      3.815
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2089 weight  0.10000E+01 volume  0.11200E+00 ppm1      0.677 ppm2      4.148
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2091 weight  0.10000E+01 volume  0.17820E+01 ppm1      0.677 ppm2      5.313
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
  OR 
     (segid "    " and resid "57  " and name "HE3 ")
 )
      5.000     5.000     0.000 peak  2094 weight  0.10000E+01 volume  0.35900E+00 ppm1      0.675 ppm2      7.332
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      6.000     6.000     0.000 peak  2092 weight  0.10000E+01 volume  0.18400E+00 ppm1      0.675 ppm2      6.571
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      6.000     6.000     0.000 peak  2093 weight  0.10000E+01 volume  0.18500E+00 ppm1      0.675 ppm2      6.669
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2095 weight  0.10000E+01 volume  0.60600E+00 ppm1      0.675 ppm2      7.502
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2090 weight  0.10000E+01 volume  0.14300E+00 ppm1      0.675 ppm2      4.551
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4270 weight  0.10000E+01 volume  0.36300E+00 ppm1      4.032 ppm2      8.916
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4269 weight  0.10000E+01 volume  0.83200E+00 ppm1      4.029 ppm2      8.527
 ASSI (
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  2026 weight  0.10000E+01 volume  0.34230E+01 ppm1      4.544 ppm2      7.503
 ASSI (
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4443 weight  0.10000E+01 volume  0.94400E+00 ppm1      4.545 ppm2      7.789
 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4350 weight  0.10000E+01 volume  0.11620E+01 ppm1      4.112 ppm2      1.431
 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "68  " and name "HN  ")
  OR 
     (segid "    " and resid "67  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4357 weight  0.10000E+01 volume  0.24800E+01 ppm1      4.114 ppm2      7.913
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
  OR 
     (segid "    " and resid "39  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4472 weight  0.10000E+01 volume  0.26200E+00 ppm1      4.915 ppm2      1.673
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7446 weight  0.10000E+01 volume  0.19500E+00 ppm1      4.915 ppm2      1.834
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4474 weight  0.10000E+01 volume  0.21590E+01 ppm1      4.915 ppm2      9.413
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4475 weight  0.10000E+01 volume  0.22200E+00 ppm1      4.914 ppm2      9.795
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "25  " and name "HG12")
 )
      5.000     5.000     0.000 peak  3387 weight  0.10000E+01 volume  0.47600E+00 ppm1      3.774 ppm2      0.619
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD11")
  OR 
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      2.700     2.700     0.000 peak  3388 weight  0.10000E+01 volume  0.34450E+01 ppm1      3.774 ppm2      0.718
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2822 weight  0.10000E+01 volume  0.15800E+00 ppm1      3.773 ppm2      4.262
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3399 weight  0.10000E+01 volume  0.10900E+00 ppm1      3.775 ppm2      4.687
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3400 weight  0.10000E+01 volume  0.10700E+00 ppm1      3.774 ppm2      4.874
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3401 weight  0.10000E+01 volume  0.18500E+00 ppm1      3.776 ppm2      5.459
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3402 weight  0.10000E+01 volume  0.33000E+00 ppm1      3.775 ppm2      7.403
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3403 weight  0.10000E+01 volume  0.25700E+00 ppm1      3.775 ppm2      8.397
 ASSI (
     (segid "    " and resid "44  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3404 weight  0.10000E+01 volume  0.84600E+00 ppm1      3.775 ppm2      8.652
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3858 weight  0.10000E+01 volume  0.94100E+00 ppm1      3.604 ppm2      1.403
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3860 weight  0.10000E+01 volume  0.96400E+00 ppm1      3.602 ppm2      1.720
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3861 weight  0.10000E+01 volume  0.99800E+00 ppm1      3.602 ppm2      1.800
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3869 weight  0.10000E+01 volume  0.33000E+00 ppm1      3.603 ppm2      4.150
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3870 weight  0.10000E+01 volume  0.16500E+00 ppm1      3.605 ppm2      6.175
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      6.000     6.000     0.000 peak  3871 weight  0.10000E+01 volume  0.19000E+00 ppm1      3.605 ppm2      6.939
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3872 weight  0.10000E+01 volume  0.45600E+00 ppm1      3.604 ppm2      7.296
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3873 weight  0.10000E+01 volume  0.24300E+00 ppm1      3.604 ppm2      7.918
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3874 weight  0.10000E+01 volume  0.20300E+00 ppm1      3.602 ppm2      8.679
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3875 weight  0.10000E+01 volume  0.10410E+01 ppm1      3.604 ppm2      9.016
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4187 weight  0.10000E+01 volume  0.18800E+00 ppm1      4.054 ppm2      3.351
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4190 weight  0.10000E+01 volume  0.12750E+01 ppm1      4.057 ppm2      7.712
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4192 weight  0.10000E+01 volume  0.40200E+00 ppm1      4.057 ppm2      8.125
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4193 weight  0.10000E+01 volume  0.51400E+00 ppm1      4.059 ppm2      8.912
 ASSI (
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HD2 ")
  OR 
     (segid "    " and resid "36  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  1733 weight  0.10000E+01 volume  0.42100E+00 ppm1      4.371 ppm2      1.609
 ASSI (
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2912 weight  0.10000E+01 volume  0.36300E+00 ppm1      4.370 ppm2      2.997
 ASSI (
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1932 weight  0.10000E+01 volume  0.13100E+00 ppm1      4.373 ppm2      9.335
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2864 weight  0.10000E+01 volume  0.65300E+00 ppm1      4.348 ppm2      7.640
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
  OR 
     (segid "    " and resid "14  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2865 weight  0.10000E+01 volume  0.15860E+01 ppm1      4.350 ppm2      8.058
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HG2 ")
  OR 
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  1929 weight  0.10000E+01 volume  0.62300E+00 ppm1      4.360 ppm2      1.418
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2866 weight  0.10000E+01 volume  0.12100E+00 ppm1      4.348 ppm2      8.329
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4496 weight  0.10000E+01 volume  0.27100E+00 ppm1      4.450 ppm2      7.628
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4498 weight  0.10000E+01 volume  0.21600E+00 ppm1      4.447 ppm2      8.689
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4499 weight  0.10000E+01 volume  0.69400E+00 ppm1      4.447 ppm2      8.954
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4234 weight  0.10000E+01 volume  0.14500E+00 ppm1      4.195 ppm2      7.929
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4235 weight  0.10000E+01 volume  0.21200E+00 ppm1      4.195 ppm2      8.134
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4237 weight  0.10000E+01 volume  0.90000E-02 ppm1      4.194 ppm2      8.905
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4236 weight  0.10000E+01 volume  0.35000E-01 ppm1      4.196 ppm2      8.528
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )
      6.000     6.000     0.000 peak  4123 weight  0.10000E+01 volume  0.19300E+00 ppm1      3.360 ppm2      0.727
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  4126 weight  0.10000E+01 volume  0.40300E+00 ppm1      3.357 ppm2      1.710
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4129 weight  0.10000E+01 volume  0.91000E-01 ppm1      3.358 ppm2      4.030
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4130 weight  0.10000E+01 volume  0.58000E-01 ppm1      3.354 ppm2      4.200
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4133 weight  0.10000E+01 volume  0.15300E+00 ppm1      3.358 ppm2      7.715
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4134 weight  0.10000E+01 volume  0.88000E-01 ppm1      3.360 ppm2      8.108
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4135 weight  0.10000E+01 volume  0.36700E+00 ppm1      3.358 ppm2      8.252
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4136 weight  0.10000E+01 volume  0.18700E+00 ppm1      3.360 ppm2      8.529
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4137 weight  0.10000E+01 volume  0.87000E-01 ppm1      3.359 ppm2      8.905
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
  OR 
     (segid "    " and resid "59  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8086 weight  0.10000E+01 volume  0.73300E+00 ppm1      3.783 ppm2      1.514
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8089 weight  0.10000E+01 volume  0.37100E+01 ppm1      3.784 ppm2      1.752
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3996 weight  0.10000E+01 volume  0.10400E+00 ppm1      3.785 ppm2      6.172
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3997 weight  0.10000E+01 volume  0.86800E+00 ppm1      3.784 ppm2      7.295
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3998 weight  0.10000E+01 volume  0.14300E+00 ppm1      3.788 ppm2      7.712
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  2501 weight  0.10000E+01 volume  0.28900E+00 ppm1      5.442 ppm2      1.595
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3994 weight  0.10000E+01 volume  0.81000E-01 ppm1      3.783 ppm2      3.379
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3999 weight  0.10000E+01 volume  0.10000E+00 ppm1      3.781 ppm2      8.073
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4001 weight  0.10000E+01 volume  0.37100E+00 ppm1      3.785 ppm2      8.686
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3345 weight  0.10000E+01 volume  0.13490E+01 ppm1      5.445 ppm2      4.691
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      6.000     6.000     0.000 peak  8078 weight  0.10000E+01 volume  0.11100E+00 ppm1      3.787 ppm2      0.731
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4000 weight  0.10000E+01 volume  0.33600E+00 ppm1      3.785 ppm2      8.254
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3351 weight  0.10000E+01 volume  0.31100E+00 ppm1      5.445 ppm2      7.689
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "25  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3353 weight  0.10000E+01 volume  0.61500E+00 ppm1      5.445 ppm2      8.818
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3352 weight  0.10000E+01 volume  0.47900E+00 ppm1      5.445 ppm2      8.953
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3350 weight  0.10000E+01 volume  0.64000E-01 ppm1      5.446 ppm2      7.080
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3354 weight  0.10000E+01 volume  0.11450E+01 ppm1      5.445 ppm2      8.651
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3349 weight  0.10000E+01 volume  0.13400E+00 ppm1      5.441 ppm2      7.410
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "11  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  1805 weight  0.10000E+01 volume  0.23400E+00 ppm1      4.223 ppm2      3.912
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
  OR 
     (segid "    " and resid "9   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1806 weight  0.10000E+01 volume  0.31200E+00 ppm1      4.215 ppm2      4.485
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1807 weight  0.10000E+01 volume  0.60000E+00 ppm1      4.223 ppm2      7.686
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  1808 weight  0.10000E+01 volume  0.27940E+01 ppm1      4.222 ppm2      8.200
 ASSI (
     (segid "    " and resid "25  " and name "HA  ")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3504 weight  0.10000E+01 volume  0.12020E+01 ppm1      4.678 ppm2      0.744
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
  OR 
     (segid "    " and resid "8   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  1877 weight  0.10000E+01 volume  0.61400E+00 ppm1      4.484 ppm2      2.975
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      6.000     6.000     0.000 peak  3792 weight  0.10000E+01 volume  0.25600E+00 ppm1      4.485 ppm2      4.287
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2885 weight  0.10000E+01 volume  0.42400E+00 ppm1      4.485 ppm2      5.049
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  1881 weight  0.10000E+01 volume  0.27670E+01 ppm1      4.484 ppm2      8.198
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2892 weight  0.10000E+01 volume  0.17100E+00 ppm1      4.485 ppm2      8.319
 ASSI (
     (segid "    " and resid "6   " and name "HA  ")
 )(
     (segid "    " and resid "6   " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2869 weight  0.10000E+01 volume  0.16100E+01 ppm1      4.265 ppm2      8.329
 ASSI (
     (segid "    " and resid "6   " and name "HA  ")
 )(
     (segid "    " and resid "7   " and name "HN  ")
 )
      3.300     3.300     0.000 peak  1731 weight  0.10000E+01 volume  0.27520E+01 ppm1      4.260 ppm2      8.395
 ASSI (
     (segid "    " and resid "73  " and name "HA  ")
 )(
     (segid "    " and resid "73  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4416 weight  0.10000E+01 volume  0.80400E+00 ppm1      4.300 ppm2      7.869
 ASSI (
     (segid "    " and resid "73  " and name "HA  ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4417 weight  0.10000E+01 volume  0.11950E+01 ppm1      4.298 ppm2      8.165
 ASSI (
     (segid "    " and resid "5   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
  OR 
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
 )
      5.000     5.000     0.000 peak  8884 weight  0.10000E+01 volume  0.93700E+00 ppm1      4.170 ppm2      0.884
 ASSI (
     (segid "    " and resid "16  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2024 weight  0.10000E+01 volume  0.33300E+00 ppm1      4.466 ppm2      3.826
 ASSI (
     (segid "    " and resid "16  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2028 weight  0.10000E+01 volume  0.29380E+01 ppm1      4.470 ppm2      7.781
 ASSI (
     (segid "    " and resid "5   " and name "HA  ")
 )(
     (segid "    " and resid "6   " and name "HN  ")
 )
      2.700     2.700     0.000 peak  1712 weight  0.10000E+01 volume  0.32910E+01 ppm1      4.170 ppm2      8.331
 ASSI (
     (segid "    " and resid "16  " and name "HA  ")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2029 weight  0.10000E+01 volume  0.52700E+00 ppm1      4.471 ppm2      9.060
 ASSI (
     (segid "    " and resid "5   " and name "HA  ")
 )(
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )
      6.000     6.000     0.000 peak  1709 weight  0.10000E+01 volume  0.14700E+00 ppm1      4.172 ppm2      1.129
 ASSI (
     (segid "    " and resid "5   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1711 weight  0.10000E+01 volume  0.38700E+00 ppm1      4.169 ppm2      8.148
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2877 weight  0.10000E+01 volume  0.17400E+00 ppm1      3.982 ppm2      7.639
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2888 weight  0.10000E+01 volume  0.21400E+00 ppm1      3.899 ppm2      7.639
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2889 weight  0.10000E+01 volume  0.73200E+00 ppm1      3.899 ppm2      8.059
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2878 weight  0.10000E+01 volume  0.69200E+00 ppm1      3.981 ppm2      8.056
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2879 weight  0.10000E+01 volume  0.16500E+00 ppm1      3.899 ppm2      1.421
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2887 weight  0.10000E+01 volume  0.10500E+00 ppm1      3.899 ppm2      5.026
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2876 weight  0.10000E+01 volume  0.12000E+00 ppm1      3.979 ppm2      5.016
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2273 weight  0.10000E+01 volume  0.32000E+00 ppm1      4.117 ppm2      3.660
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      2.700     2.700     0.000 peak  2276 weight  0.10000E+01 volume  0.36800E+01 ppm1      4.121 ppm2      8.045
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2277 weight  0.10000E+01 volume  0.30500E+00 ppm1      4.121 ppm2      8.441
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3554 weight  0.10000E+01 volume  0.34800E+00 ppm1      4.120 ppm2      0.734
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      6.000     6.000     0.000 peak  3555 weight  0.10000E+01 volume  0.28200E+00 ppm1      4.118 ppm2      0.824
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3711 weight  0.10000E+01 volume  0.40500E+00 ppm1      3.903 ppm2      8.205
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3698 weight  0.10000E+01 volume  0.39900E+00 ppm1      3.906 ppm2      0.673
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  3015 weight  0.10000E+01 volume  0.20500E+00 ppm1      3.904 ppm2      1.391
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
  OR 
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3701 weight  0.10000E+01 volume  0.10610E+01 ppm1      3.902 ppm2      1.708
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  7862 weight  0.10000E+01 volume  0.15620E+01 ppm1      3.903 ppm2      1.752
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3706 weight  0.10000E+01 volume  0.13600E+00 ppm1      3.905 ppm2      2.565
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3048 weight  0.10000E+01 volume  0.98000E-01 ppm1      3.902 ppm2      4.776
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3708 weight  0.10000E+01 volume  0.12300E+00 ppm1      3.903 ppm2      6.168
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3709 weight  0.10000E+01 volume  0.97000E-01 ppm1      3.903 ppm2      7.293
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3710 weight  0.10000E+01 volume  0.21700E+00 ppm1      3.904 ppm2      7.553
 ASSI (
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "13  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  1944 weight  0.10000E+01 volume  0.94000E-01 ppm1      3.823 ppm2      9.300
 ASSI (
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "14  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1942 weight  0.10000E+01 volume  0.45100E+00 ppm1      3.825 ppm2      8.095
 ASSI (
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HN  ")
  OR 
     (segid "    " and resid "11  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3832 weight  0.10000E+01 volume  0.12800E+00 ppm1      3.827 ppm2      8.213
 ASSI (
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
  OR 
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "19  " and name "HG11")
  OR 
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
  OR 
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  1936 weight  0.10000E+01 volume  0.36200E+00 ppm1      3.822 ppm2      1.418
 ASSI (
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1941 weight  0.10000E+01 volume  0.14100E+00 ppm1      3.824 ppm2      5.059
 ASSI (
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
  OR 
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  1939 weight  0.10000E+01 volume  0.12300E+00 ppm1      3.820 ppm2      3.002
 ASSI (
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  3824 weight  0.10000E+01 volume  0.13200E+00 ppm1      3.815 ppm2      0.197
 ASSI (
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2082 weight  0.10000E+01 volume  0.13330E+01 ppm1      3.813 ppm2      7.787
 ASSI (
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  2081 weight  0.10000E+01 volume  0.22640E+01 ppm1      3.810 ppm2      7.500
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7002 weight  0.10000E+01 volume  0.12440E+01 ppm1      3.673 ppm2      0.747
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2358 weight  0.10000E+01 volume  0.47200E+00 ppm1      3.673 ppm2      1.292
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2362 weight  0.10000E+01 volume  0.36700E+00 ppm1      3.673 ppm2      4.139
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2366 weight  0.10000E+01 volume  0.74000E+00 ppm1      3.672 ppm2      7.710
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2365 weight  0.10000E+01 volume  0.10410E+01 ppm1      3.672 ppm2      8.043
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2367 weight  0.10000E+01 volume  0.38900E+00 ppm1      3.671 ppm2      8.435
 ASSI (
     (segid "    " and resid "21  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2364 weight  0.10000E+01 volume  0.15200E+00 ppm1      3.672 ppm2      4.673
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )
      6.000     6.000     0.000 peak  3074 weight  0.10000E+01 volume  0.23700E+00 ppm1      2.559 ppm2      0.735
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  3916 weight  0.10000E+01 volume  0.24900E+00 ppm1      2.558 ppm2      0.840
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HG11")
  OR 
     (segid "    " and resid "24  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3918 weight  0.10000E+01 volume  0.15800E+00 ppm1      2.558 ppm2      1.284
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3926 weight  0.10000E+01 volume  0.86900E+00 ppm1      2.558 ppm2      6.174
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      6.000     6.000     0.000 peak  3927 weight  0.10000E+01 volume  0.11400E+00 ppm1      2.558 ppm2      6.680
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3928 weight  0.10000E+01 volume  0.75200E+00 ppm1      2.557 ppm2      7.312
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3929 weight  0.10000E+01 volume  0.54900E+00 ppm1      2.559 ppm2      8.069
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3931 weight  0.10000E+01 volume  0.15400E+00 ppm1      2.560 ppm2      8.682
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3925 weight  0.10000E+01 volume  0.64000E-01 ppm1      2.559 ppm2      4.471
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3917 weight  0.10000E+01 volume  0.17800E+00 ppm1      2.558 ppm2      1.073
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3923 weight  0.10000E+01 volume  0.94000E-01 ppm1      2.561 ppm2      3.791
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3930 weight  0.10000E+01 volume  0.15000E+00 ppm1      2.559 ppm2      8.246
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2036 weight  0.10000E+01 volume  0.21100E+00 ppm1      4.293 ppm2      4.725
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2037 weight  0.10000E+01 volume  0.36600E+00 ppm1      4.292 ppm2      4.828
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  2038 weight  0.10000E+01 volume  0.76200E+00 ppm1      4.293 ppm2      7.156
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "17  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2040 weight  0.10000E+01 volume  0.44000E+00 ppm1      4.295 ppm2      7.780
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  2041 weight  0.10000E+01 volume  0.99000E+00 ppm1      4.293 ppm2      9.066
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "50  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  2042 weight  0.10000E+01 volume  0.21000E+00 ppm1      4.292 ppm2      9.216
 ASSI (
     (segid "    " and resid "11  " and name "HB  ")
 )(
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )
      6.000     6.000     0.000 peak  2899 weight  0.10000E+01 volume  0.12100E+00 ppm1      3.901 ppm2      1.132
 ASSI (
     (segid "    " and resid "11  " and name "HB  ")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  1889 weight  0.10000E+01 volume  0.18200E+01 ppm1      3.901 ppm2      8.200
 ASSI (
     (segid "    " and resid "11  " and name "HB  ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1890 weight  0.10000E+01 volume  0.69000E-01 ppm1      3.901 ppm2      4.622
 ASSI (
     (segid "    " and resid "73  " and name "HB  ")
 )(
     (segid "    " and resid "73  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4421 weight  0.10000E+01 volume  0.62500E+00 ppm1      4.224 ppm2      7.863
 ASSI (
     (segid "    " and resid "73  " and name "HB  ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4420 weight  0.10000E+01 volume  0.34600E+00 ppm1      4.224 ppm2      8.175
 ASSI (
     (segid "    " and resid "6   " and name "HB  ")
 )(
     (segid "    " and resid "7   " and name "HN  ")
  OR 
     (segid "    " and resid "6   " and name "HN  ")
 )
      5.000     5.000     0.000 peak  1735 weight  0.10000E+01 volume  0.12260E+01 ppm1      4.054 ppm2      8.359
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2678 weight  0.10000E+01 volume  0.55500E+00 ppm1      5.442 ppm2      1.768
 ASSI (
     (segid "    " and resid "43  " and name "HB  ")
 )(
     (segid "    " and resid "44  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4547 weight  0.10000E+01 volume  0.12280E+01 ppm1      4.860 ppm2      8.655
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3072 weight  0.10000E+01 volume  0.92300E+00 ppm1      0.663 ppm2      0.223
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  7413 weight  0.10000E+01 volume  0.27950E+01 ppm1      0.663 ppm2      1.752
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
  OR 
     (segid "    " and resid "53  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3082 weight  0.10000E+01 volume  0.65100E+00 ppm1      0.662 ppm2      1.890
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
  OR 
     (segid "    " and resid "29  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3083 weight  0.10000E+01 volume  0.14770E+01 ppm1      0.664 ppm2      2.018
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3085 weight  0.10000E+01 volume  0.52900E+00 ppm1      0.663 ppm2      2.163
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3088 weight  0.10000E+01 volume  0.22800E+00 ppm1      0.661 ppm2      2.576
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3089 weight  0.10000E+01 volume  0.30800E+00 ppm1      0.662 ppm2      2.832
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3091 weight  0.10000E+01 volume  0.40200E+00 ppm1      0.663 ppm2      3.913
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  3090 weight  0.10000E+01 volume  0.27400E+00 ppm1      0.663 ppm2      4.049
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1832 weight  0.10000E+01 volume  0.21100E+00 ppm1      0.663 ppm2      4.630
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3095 weight  0.10000E+01 volume  0.83000E-01 ppm1      0.665 ppm2      5.912
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HE22")
 )
      5.000     5.000     0.000 peak  3096 weight  0.10000E+01 volume  0.92100E+00 ppm1      0.663 ppm2      6.711
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  3097 weight  0.10000E+01 volume  0.31000E+00 ppm1      0.662 ppm2      6.818
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HE21")
 )
      6.000     6.000     0.000 peak  3098 weight  0.10000E+01 volume  0.17000E+00 ppm1      0.665 ppm2      7.611
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3099 weight  0.10000E+01 volume  0.81000E-01 ppm1      0.664 ppm2      7.806
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3100 weight  0.10000E+01 volume  0.54600E+00 ppm1      0.662 ppm2      8.685
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "39  " and name "HN  ")
  OR 
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3101 weight  0.10000E+01 volume  0.53100E+00 ppm1      0.665 ppm2      9.051
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  3102 weight  0.10000E+01 volume  0.53400E+00 ppm1      0.665 ppm2      9.347
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      3.300     3.300     0.000 peak  8029 weight  0.10000E+01 volume  0.16300E+01 ppm1      7.324 ppm2      6.576
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7835 weight  0.10000E+01 volume  0.59700E+00 ppm1      7.322 ppm2      1.088
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6842 weight  0.10000E+01 volume -0.25900E+00 ppm1      7.322 ppm2      0.669
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  7545 weight  0.10000E+01 volume  0.26600E+00 ppm1      7.323 ppm2      0.854
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  6818 weight  0.10000E+01 volume  0.12820E+01 ppm1      7.326 ppm2      1.400
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2334 weight  0.10000E+01 volume  0.45800E+00 ppm1      7.326 ppm2     -0.836
 ASSI (
     (segid "    " and resid "57  " and name "HZ2 ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  8013 weight  0.10000E+01 volume  0.52000E+00 ppm1      7.320 ppm2      6.666
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7223 weight  0.10000E+01 volume -0.22000E+00 ppm1      6.812 ppm2      2.847
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8188 weight  0.10000E+01 volume -0.22100E+00 ppm1      6.814 ppm2      1.500
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  7251 weight  0.10000E+01 volume  0.83350E+01 ppm1      6.822 ppm2      6.711
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  8222 weight  0.10000E+01 volume  0.86000E+00 ppm1      6.820 ppm2      1.759
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8650 weight  0.10000E+01 volume  0.77200E+00 ppm1      6.818 ppm2      3.380
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8293 weight  0.10000E+01 volume  0.71100E+00 ppm1      6.819 ppm2      0.824
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8210 weight  0.10000E+01 volume  0.31300E+00 ppm1      6.817 ppm2      0.433
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8271 weight  0.10000E+01 volume -0.50100E+00 ppm1      6.821 ppm2      2.115
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      6.000     6.000     0.000 peak  7426 weight  0.10000E+01 volume  0.28000E+00 ppm1      6.814 ppm2      0.649
 ASSI (
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7179 weight  0.10000E+01 volume  0.41200E+00 ppm1      6.814 ppm2      0.739
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8252 weight  0.10000E+01 volume  0.34100E+00 ppm1      6.942 ppm2      3.330
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8305 weight  0.10000E+01 volume  0.89800E+00 ppm1      6.944 ppm2      0.758
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8282 weight  0.10000E+01 volume  0.41400E+00 ppm1      6.943 ppm2      1.895
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8537 weight  0.10000E+01 volume  0.94300E+00 ppm1      6.942 ppm2      0.803
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      3.300     3.300     0.000 peak  8028 weight  0.10000E+01 volume  0.21960E+01 ppm1      6.667 ppm2      6.572
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8263 weight  0.10000E+01 volume -0.19500E+00 ppm1      6.940 ppm2      4.022
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7544 weight  0.10000E+01 volume  0.89500E+00 ppm1      6.667 ppm2      0.853
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8484 weight  0.10000E+01 volume -0.23600E+00 ppm1      6.668 ppm2      0.659
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7127 weight  0.10000E+01 volume  0.85000E+00 ppm1      6.666 ppm2      0.993
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      3.300     3.300     0.000 peak  7989 weight  0.10000E+01 volume  0.19240E+01 ppm1      6.667 ppm2      7.332
 ASSI (
     (segid "    " and resid "57  " and name "HZ3 ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6910 weight  0.10000E+01 volume -0.48100E+00 ppm1      6.665 ppm2      1.291
 ASSI (
     (segid "    " and resid "46  " and name "HD2 ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7682 weight  0.10000E+01 volume  0.29900E+00 ppm1      7.176 ppm2      3.319
 ASSI (
     (segid "    " and resid "46  " and name "HD2 ")
 )(
     (segid "    " and resid "46  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7671 weight  0.10000E+01 volume  0.44400E+00 ppm1      7.173 ppm2      3.599
 ASSI (
     (segid "    " and resid "26  " and name "HD2 ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7201 weight  0.10000E+01 volume  0.52500E+00 ppm1      7.305 ppm2      3.372
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  7546 weight  0.10000E+01 volume  0.21600E+00 ppm1      7.326 ppm2      0.859
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      6.000     6.000     0.000 peak  8030 weight  0.10000E+01 volume  0.29200E+00 ppm1      7.327 ppm2      6.558
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8040 weight  0.10000E+01 volume  0.41100E+00 ppm1      7.327 ppm2      2.551
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7973 weight  0.10000E+01 volume  0.47500E+00 ppm1      7.324 ppm2      3.196
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8175 weight  0.10000E+01 volume  0.34400E+00 ppm1      7.328 ppm2      1.428
 ASSI (
     (segid "    " and resid "57  " and name "HE3 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7967 weight  0.10000E+01 volume  0.90900E+00 ppm1      7.326 ppm2      3.499
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  6817 weight  0.10000E+01 volume  0.69200E+00 ppm1      6.573 ppm2      1.400
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8483 weight  0.10000E+01 volume -0.25400E+00 ppm1      6.571 ppm2      0.675
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7543 weight  0.10000E+01 volume  0.54000E+00 ppm1      6.573 ppm2      0.856
 ASSI (
     (segid "    " and resid "57  " and name "HH2 ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  6909 weight  0.10000E+01 volume -0.19900E+00 ppm1      6.569 ppm2      1.294
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7919 weight  0.10000E+01 volume  0.73300E+00 ppm1      7.631 ppm2      1.967
 ASSI (
     (segid "    " and resid "57  " and name "HD1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7974 weight  0.10000E+01 volume  0.40300E+00 ppm1      7.623 ppm2      3.233
 ASSI (
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7707 weight  0.10000E+01 volume  0.26900E+00 ppm1      7.222 ppm2      1.648
 ASSI (
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7617 weight  0.10000E+01 volume  0.82500E+00 ppm1      7.224 ppm2      1.348
 ASSI (
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  8660 weight  0.10000E+01 volume  0.92770E+01 ppm1      7.223 ppm2      7.146
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7616 weight  0.10000E+01 volume  0.35000E+00 ppm1      7.140 ppm2      1.355
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7785 weight  0.10000E+01 volume -0.50600E+00 ppm1      7.143 ppm2      3.103
 ASSI (
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7792 weight  0.10000E+01 volume -0.41700E+00 ppm1      7.134 ppm2      2.563
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2721 weight  0.10000E+01 volume -0.40100E+00 ppm1      6.706 ppm2      4.459
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      3.300     3.300     0.000 peak  8292 weight  0.10000E+01 volume  0.16330E+01 ppm1      6.709 ppm2      0.824
 ASSI (
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  OR 
     (segid "    " and resid "27  " and name "HD1 ")
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  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
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      5.000     5.000     0.000 peak  7570 weight  0.10000E+01 volume  0.58100E+00 ppm1      6.708 ppm2      0.739
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
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      5.000     5.000     0.000 peak  7215 weight  0.10000E+01 volume -0.38300E+00 ppm1      6.711 ppm2      5.909
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
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      5.000     5.000     0.000 peak  7178 weight  0.10000E+01 volume  0.95400E+00 ppm1      6.706 ppm2      0.709
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
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      5.000     5.000     0.000 peak  7222 weight  0.10000E+01 volume -0.70800E+00 ppm1      6.708 ppm2      2.844
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
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      5.000     5.000     0.000 peak  7230 weight  0.10000E+01 volume -0.81800E+00 ppm1      6.707 ppm2      2.556
 ASSI (
     (segid "    " and resid "46  " and name "HE1 ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
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      5.000     5.000     0.000 peak  7187 weight  0.10000E+01 volume  0.48300E+00 ppm1      8.466 ppm2      0.705
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HG11")
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      5.000     5.000     0.000 peak  7456 weight  0.10000E+01 volume  0.98500E+00 ppm1      0.749 ppm2      1.377
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HG12")
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      3.300     3.300     0.000 peak  7461 weight  0.10000E+01 volume  0.16600E+01 ppm1      0.749 ppm2      1.237
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HA  ")
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      5.000     5.000     0.000 peak  7441 weight  0.10000E+01 volume -0.87000E+00 ppm1      0.751 ppm2      4.918
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
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      5.000     5.000     0.000 peak  7291 weight  0.10000E+01 volume -0.46500E+00 ppm1      0.752 ppm2      2.820
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "40  " and name "HB  ")
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      5.000     5.000     0.000 peak  7449 weight  0.10000E+01 volume -0.64800E+00 ppm1      0.751 ppm2      1.975
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HA  ")
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      5.000     5.000     0.000 peak  3459 weight  0.10000E+01 volume -0.58600E+00 ppm1      0.750 ppm2      4.734
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
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      5.000     5.000     0.000 peak  7286 weight  0.10000E+01 volume -0.36400E+00 ppm1      0.752 ppm2      2.702
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
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      5.000     5.000     0.000 peak  7370 weight  0.10000E+01 volume  0.58800E+00 ppm1      0.747 ppm2      1.370
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HA  ")
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      5.000     5.000     0.000 peak  7793 weight  0.10000E+01 volume -0.38500E+00 ppm1      0.752 ppm2      5.115
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7806 weight  0.10000E+01 volume -0.11500E+00 ppm1      0.749 ppm2      2.533
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG12")
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      3.300     3.300     0.000 peak  6918 weight  0.10000E+01 volume  0.15880E+01 ppm1      0.249 ppm2      0.531
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
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      6.000     6.000     0.000 peak  7817 weight  0.10000E+01 volume  0.15400E+00 ppm1      0.244 ppm2      1.074
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
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      6.000     6.000     0.000 peak  7998 weight  0.10000E+01 volume  0.15700E+00 ppm1      0.248 ppm2      6.664
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
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      6.000     6.000     0.000 peak  7507 weight  0.10000E+01 volume -0.13300E+00 ppm1      0.249 ppm2      1.815
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
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      5.000     5.000     0.000 peak  2381 weight  0.10000E+01 volume  0.92000E+00 ppm1      0.245 ppm2      0.797
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
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      6.000     6.000     0.000 peak  7515 weight  0.10000E+01 volume -0.76000E-01 ppm1      0.247 ppm2      1.490
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
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      5.000     5.000     0.000 peak  7529 weight  0.10000E+01 volume  0.67200E+00 ppm1      0.247 ppm2      0.847
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG11")
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      5.000     5.000     0.000 peak  2802 weight  0.10000E+01 volume  0.14440E+01 ppm1      0.251 ppm2      1.463
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
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     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
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      5.000     5.000     0.000 peak  7604 weight  0.10000E+01 volume  0.61800E+00 ppm1      0.248 ppm2      1.355
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
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     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HB  ")
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      5.000     5.000     0.000 peak  6896 weight  0.10000E+01 volume -0.10960E+01 ppm1      0.250 ppm2      1.319
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HA  ")
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      5.000     5.000     0.000 peak  6886 weight  0.10000E+01 volume -0.30200E+00 ppm1      0.248 ppm2      4.143
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
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      6.000     6.000     0.000 peak  7114 weight  0.10000E+01 volume  0.22300E+00 ppm1      0.246 ppm2      0.993
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
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      5.000     5.000     0.000 peak  6804 weight  0.10000E+01 volume  0.71100E+00 ppm1      0.248 ppm2      1.407
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG23")
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     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
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      3.300     3.300     0.000 peak  6926 weight  0.10000E+01 volume  0.17270E+01 ppm1      0.251 ppm2      0.745
 ASSI (
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
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      5.000     5.000     0.000 peak  8015 weight  0.10000E+01 volume  0.32200E+00 ppm1      0.250 ppm2      6.572
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
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      6.000     6.000     0.000 peak  7195 weight  0.10000E+01 volume  0.12900E+00 ppm1      0.701 ppm2      3.366
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "44  " and name "HA  ")
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      5.000     5.000     0.000 peak  7620 weight  0.10000E+01 volume -0.13660E+01 ppm1      0.701 ppm2      3.776
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
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      6.000     6.000     0.000 peak  7627 weight  0.10000E+01 volume  0.21600E+00 ppm1      0.705 ppm2      1.783
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HA  ")
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      6.000     6.000     0.000 peak  1713 weight  0.10000E+01 volume  0.28400E+00 ppm1      0.698 ppm2      4.685
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "25  " and name "HG11")
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      3.300     3.300     0.000 peak  7154 weight  0.10000E+01 volume  0.15180E+01 ppm1      0.698 ppm2      1.072
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
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      5.000     5.000     0.000 peak  7579 weight  0.10000E+01 volume -0.46900E+00 ppm1      0.697 ppm2      2.721
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "46  " and name "HA  ")
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      6.000     6.000     0.000 peak  3363 weight  0.10000E+01 volume -0.18100E+00 ppm1      0.701 ppm2      4.426
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
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      5.000     5.000     0.000 peak  7205 weight  0.10000E+01 volume  0.37600E+00 ppm1      0.705 ppm2      7.308
 ASSI (
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
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      6.000     6.000     0.000 peak  7586 weight  0.10000E+01 volume -0.24300E+00 ppm1      0.701 ppm2      2.094
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HB  ")
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      5.000     5.000     0.000 peak  6641 weight  0.10000E+01 volume -0.70400E+00 ppm1      0.751 ppm2      1.729
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HG12")
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      3.300     3.300     0.000 peak  6651 weight  0.10000E+01 volume  0.19720E+01 ppm1      0.752 ppm2      0.831
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
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      5.000     5.000     0.000 peak  7742 weight  0.10000E+01 volume -0.34000E+00 ppm1      0.753 ppm2      1.571
 ASSI (
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )(
     (segid "    " and resid "49  " and name "HA  ")
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      6.000     6.000     0.000 peak  3406 weight  0.10000E+01 volume -0.21200E+00 ppm1      0.753 ppm2      4.694
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
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      5.000     5.000     0.000 peak  8204 weight  0.10000E+01 volume  0.38800E+00 ppm1      1.754 ppm2      0.433
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
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      5.000     5.000     0.000 peak  8193 weight  0.10000E+01 volume  0.38000E+00 ppm1      1.752 ppm2      2.031
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
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     (segid "    " and resid "39  " and name "HG11")
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      5.000     5.000     0.000 peak  3108 weight  0.10000E+01 volume  0.33100E+00 ppm1      1.755 ppm2      1.268
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
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      5.000     5.000     0.000 peak  8183 weight  0.10000E+01 volume -0.44600E+00 ppm1      1.751 ppm2      1.516
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
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     (segid "    " and resid "39  " and name "HD13")
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     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
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      5.000     5.000     0.000 peak  7412 weight  0.10000E+01 volume  0.73100E+00 ppm1      1.752 ppm2      0.681
 ASSI (
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8061 weight  0.10000E+01 volume  0.55800E+00 ppm1      1.752 ppm2      0.216
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  6640 weight  0.10000E+01 volume -0.18730E+01 ppm1      0.714 ppm2      1.728
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6770 weight  0.10000E+01 volume -0.27000E+00 ppm1      0.723 ppm2      2.714
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3689 weight  0.10000E+01 volume  0.88000E+00 ppm1      0.716 ppm2      1.454
 ASSI (
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6634 weight  0.10000E+01 volume  0.65400E+00 ppm1      0.719 ppm2      4.227
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  6898 weight  0.10000E+01 volume -0.16580E+01 ppm1      0.750 ppm2      1.316
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7001 weight  0.10000E+01 volume  0.18000E+00 ppm1      0.748 ppm2      3.693
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7115 weight  0.10000E+01 volume  0.36600E+00 ppm1      0.747 ppm2      0.993
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3865 weight  0.10000E+01 volume  0.14800E+00 ppm1      0.745 ppm2      2.274
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  3397 weight  0.10000E+01 volume -0.10750E+01 ppm1      0.749 ppm2      1.705
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7661 weight  0.10000E+01 volume -0.70200E+00 ppm1      0.742 ppm2      3.603
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7605 weight  0.10000E+01 volume  0.81900E+00 ppm1      0.743 ppm2      1.355
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      5.000     5.000     0.000 peak  3822 weight  0.10000E+01 volume  0.71700E+00 ppm1      0.750 ppm2      0.531
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7672 weight  0.10000E+01 volume -0.12570E+01 ppm1      0.743 ppm2      3.444
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7106 weight  0.10000E+01 volume  0.36100E+00 ppm1      0.743 ppm2      1.916
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3820 weight  0.10000E+01 volume  0.62000E+00 ppm1      0.751 ppm2      1.463
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6888 weight  0.10000E+01 volume -0.11440E+01 ppm1      0.748 ppm2      4.143
 ASSI (
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  6983 weight  0.10000E+01 volume  0.25000E+00 ppm1      0.747 ppm2      1.978
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2016 weight  0.10000E+01 volume  0.22800E+00 ppm1      1.422 ppm2     -0.844
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8248 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.421 ppm2      3.321
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      3.300     3.300     0.000 peak  2354 weight  0.10000E+01 volume  0.15950E+01 ppm1      1.421 ppm2      0.994
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3556 weight  0.10000E+01 volume  0.11540E+01 ppm1      1.421 ppm2      0.804
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8150 weight  0.10000E+01 volume -0.25580E+01 ppm1      1.420 ppm2      4.007
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  8059 weight  0.10000E+01 volume  0.13800E+00 ppm1      1.422 ppm2      0.223
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7008 weight  0.10000E+01 volume  0.10500E+00 ppm1      1.417 ppm2      3.694
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3567 weight  0.10000E+01 volume  0.31400E+00 ppm1      1.423 ppm2      0.717
 ASSI (
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8203 weight  0.10000E+01 volume  0.32000E-01 ppm1      1.422 ppm2      0.433
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7637 weight  0.10000E+01 volume -0.28600E+00 ppm1      0.724 ppm2      3.190
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  7150 weight  0.10000E+01 volume -0.20610E+01 ppm1      0.735 ppm2      1.770
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HG12")
 )
      5.000     5.000     0.000 peak  8564 weight  0.10000E+01 volume  0.73100E+00 ppm1      0.728 ppm2      0.620
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7630 weight  0.10000E+01 volume  0.98500E+00 ppm1      0.725 ppm2      1.578
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7619 weight  0.10000E+01 volume -0.17160E+01 ppm1      0.727 ppm2      3.776
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8052 weight  0.10000E+01 volume  0.79100E+00 ppm1      0.720 ppm2      0.216
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "44  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7626 weight  0.10000E+01 volume  0.84800E+00 ppm1      0.726 ppm2      1.783
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  1708 weight  0.10000E+01 volume  0.15780E+01 ppm1      0.729 ppm2      4.685
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7209 weight  0.10000E+01 volume -0.35900E+00 ppm1      0.720 ppm2      5.903
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8199 weight  0.10000E+01 volume  0.15600E+00 ppm1      0.720 ppm2      0.433
 ASSI (
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7155 weight  0.10000E+01 volume  0.83500E+00 ppm1      0.729 ppm2      1.072
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7428 weight  0.10000E+01 volume  0.12780E+01 ppm1      0.719 ppm2      1.267
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2569 weight  0.10000E+01 volume  0.45300E+00 ppm1      0.717 ppm2      1.080
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7224 weight  0.10000E+01 volume -0.31800E+00 ppm1      0.720 ppm2      2.556
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8191 weight  0.10000E+01 volume  0.17700E+00 ppm1      0.718 ppm2      2.031
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3030 weight  0.10000E+01 volume  0.40000E-01 ppm1      0.717 ppm2      3.909
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7396 weight  0.10000E+01 volume -0.64000E+00 ppm1      0.719 ppm2      1.696
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7493 weight  0.10000E+01 volume -0.12300E+00 ppm1      0.722 ppm2      4.975
 ASSI (
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7216 weight  0.10000E+01 volume -0.47500E+00 ppm1      0.719 ppm2      2.823
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7292 weight  0.10000E+01 volume -0.54800E+00 ppm1      1.416 ppm2      4.242
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3651 weight  0.10000E+01 volume -0.16600E+00 ppm1      1.414 ppm2      4.351
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6963 weight  0.10000E+01 volume  0.19400E+00 ppm1      1.342 ppm2      2.274
 ASSI (
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
     (segid "    " and resid "69  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  8350 weight  0.10000E+01 volume -0.42910E+01 ppm1      1.514 ppm2      4.220
 ASSI (
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3180 weight  0.10000E+01 volume -0.47800E+00 ppm1      1.516 ppm2      4.526
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  3656 weight  0.10000E+01 volume -0.44500E+01 ppm1      1.414 ppm2      4.099
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      6.000     6.000     0.000 peak  3949 weight  0.10000E+01 volume  0.22100E+00 ppm1      1.341 ppm2      0.717
 ASSI (
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )(
     (segid "    " and resid "33  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3655 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.415 ppm2      3.954
 ASSI (
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  7043 weight  0.10000E+01 volume -0.50910E+01 ppm1      1.338 ppm2      4.168
 ASSI (
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8315 weight  0.10000E+01 volume -0.10990E+01 ppm1      1.431 ppm2      4.117
 ASSI (
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
 )(
     (segid "    " and resid "71  " and name "HA  ")
  OR 
     (segid "    " and resid "70  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  8353 weight  0.10000E+01 volume -0.95610E+01 ppm1      1.432 ppm2      4.212
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      5.000     5.000     0.000 peak  7462 weight  0.10000E+01 volume  0.90200E+00 ppm1      0.831 ppm2      1.237
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7794 weight  0.10000E+01 volume -0.10300E+00 ppm1      0.833 ppm2      5.115
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7457 weight  0.10000E+01 volume  0.64300E+00 ppm1      0.832 ppm2      1.377
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7495 weight  0.10000E+01 volume -0.19400E+00 ppm1      0.835 ppm2      4.976
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7442 weight  0.10000E+01 volume -0.61000E+00 ppm1      0.831 ppm2      4.918
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7479 weight  0.10000E+01 volume  0.95400E+00 ppm1      0.835 ppm2      0.747
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2442 weight  0.10000E+01 volume -0.34500E+00 ppm1      0.829 ppm2      1.572
 ASSI (
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7727 weight  0.10000E+01 volume -0.21400E+00 ppm1      0.832 ppm2      5.462
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  6713 weight  0.10000E+01 volume  0.37000E+00 ppm1      1.922 ppm2      1.703
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7341 weight  0.10000E+01 volume -0.68700E+00 ppm1      1.921 ppm2      1.351
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6687 weight  0.10000E+01 volume -0.48100E+00 ppm1      1.920 ppm2      2.626
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  7352 weight  0.10000E+01 volume -0.42600E+00 ppm1      1.921 ppm2      2.989
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6723 weight  0.10000E+01 volume -0.78300E+00 ppm1      1.920 ppm2      2.874
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2964 weight  0.10000E+01 volume -0.39700E+00 ppm1      1.925 ppm2      4.760
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3002 weight  0.10000E+01 volume -0.48000E+00 ppm1      1.921 ppm2      3.053
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6683 weight  0.10000E+01 volume -0.36500E+00 ppm1      1.921 ppm2      3.032
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3367 weight  0.10000E+01 volume -0.22200E+00 ppm1      1.922 ppm2      4.635
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7801 weight  0.10000E+01 volume -0.52300E+00 ppm1      1.924 ppm2      3.725
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HG2 ")
  OR 
     (segid "    " and resid "36  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  3740 weight  0.10000E+01 volume  0.68000E+00 ppm1      1.922 ppm2      1.447
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3734 weight  0.10000E+01 volume -0.70700E+00 ppm1      1.921 ppm2      1.668
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7846 weight  0.10000E+01 volume -0.43900E+00 ppm1      1.921 ppm2      2.449
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7894 weight  0.10000E+01 volume -0.40800E+00 ppm1      1.924 ppm2      4.053
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3768 weight  0.10000E+01 volume  0.20570E+01 ppm1      1.924 ppm2      1.371
 ASSI (
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )(
     (segid "    " and resid "15  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  6729 weight  0.10000E+01 volume -0.65900E+00 ppm1      1.920 ppm2      2.549
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      6.000     6.000     0.000 peak  6931 weight  0.10000E+01 volume  0.84000E-01 ppm1      1.400 ppm2      0.745
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2454 weight  0.10000E+01 volume  0.44100E+00 ppm1      1.397 ppm2      0.847
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3418 weight  0.10000E+01 volume -0.10600E+00 ppm1      1.402 ppm2      4.694
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "16  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6797 weight  0.10000E+01 volume  0.35700E+00 ppm1      1.398 ppm2      4.475
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2927 weight  0.10000E+01 volume -0.26500E+00 ppm1      1.397 ppm2      4.850
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      6.000     6.000     0.000 peak  2055 weight  0.10000E+01 volume  0.15100E+00 ppm1      1.397 ppm2      6.667
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2230 weight  0.10000E+01 volume  0.96000E+00 ppm1      1.401 ppm2      1.080
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7782 weight  0.10000E+01 volume -0.44300E+00 ppm1      1.399 ppm2      3.103
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      6.000     6.000     0.000 peak  2544 weight  0.10000E+01 volume  0.10000E+00 ppm1      1.399 ppm2      0.531
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7788 weight  0.10000E+01 volume -0.33300E+00 ppm1      1.396 ppm2      2.563
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2080 weight  0.10000E+01 volume  0.10400E+00 ppm1      1.398 ppm2     -0.837
 ASSI (
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6800 weight  0.10000E+01 volume  0.11830E+01 ppm1      1.403 ppm2      4.298
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "5   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2405 weight  0.10000E+01 volume  0.11460E+01 ppm1      0.883 ppm2      2.031
 ASSI (
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2046 weight  0.10000E+01 volume  0.92400E+00 ppm1      0.882 ppm2      4.171
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8399 weight  0.10000E+01 volume  0.24100E+00 ppm1      0.716 ppm2      6.933
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3551 weight  0.10000E+01 volume  0.12300E+00 ppm1      0.718 ppm2      4.124
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8246 weight  0.10000E+01 volume  0.37500E+00 ppm1      0.718 ppm2      3.327
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7000 weight  0.10000E+01 volume  0.60800E+00 ppm1      0.720 ppm2      3.671
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "61  " and name "HA  ")
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      5.000     5.000     0.000 peak  8147 weight  0.10000E+01 volume -0.45400E+00 ppm1      0.717 ppm2      4.007
 ASSI (
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )(
     (segid "    " and resid "21  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7015 weight  0.10000E+01 volume  0.67600E+00 ppm1      0.720 ppm2      1.935
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  7327 weight  0.10000E+01 volume -0.30700E+00 ppm1      1.010 ppm2      3.658
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6680 weight  0.10000E+01 volume -0.41000E+00 ppm1      1.008 ppm2      5.034
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8436 weight  0.10000E+01 volume -0.18100E+00 ppm1      1.010 ppm2      2.943
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7314 weight  0.10000E+01 volume -0.17700E+00 ppm1      1.009 ppm2      3.801
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7321 weight  0.10000E+01 volume -0.15200E+00 ppm1      1.011 ppm2      2.992
 ASSI (
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2039 weight  0.10000E+01 volume  0.92500E+00 ppm1      0.884 ppm2      4.171
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7853 weight  0.10000E+01 volume  0.10520E+01 ppm1      0.215 ppm2      3.909
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7878 weight  0.10000E+01 volume  0.75000E-01 ppm1      0.219 ppm2      1.800
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8032 weight  0.10000E+01 volume  0.15270E+01 ppm1      0.218 ppm2      2.563
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7865 weight  0.10000E+01 volume  0.33200E+00 ppm1      0.215 ppm2      2.007
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8196 weight  0.10000E+01 volume  0.11500E+00 ppm1      0.218 ppm2      0.435
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      3.300     3.300     0.000 peak  1937 weight  0.10000E+01 volume  0.22390E+01 ppm1      0.219 ppm2     -0.842
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  6629 weight  0.10000E+01 volume -0.15600E+00 ppm1      1.007 ppm2      2.638
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7408 weight  0.10000E+01 volume  0.47700E+00 ppm1      0.217 ppm2      0.673
 ASSI (
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  7325 weight  0.10000E+01 volume -0.43600E+00 ppm1      1.007 ppm2      4.282
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7816 weight  0.10000E+01 volume  0.94900E+00 ppm1      0.218 ppm2      1.081
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  8042 weight  0.10000E+01 volume  0.15050E+01 ppm1      0.220 ppm2      1.708
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7427 weight  0.10000E+01 volume  0.70200E+00 ppm1      0.219 ppm2      1.267
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )
      6.000     6.000     0.000 peak  7547 weight  0.10000E+01 volume  0.23600E+00 ppm1      0.219 ppm2      0.753
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  2617 weight  0.10000E+01 volume  0.25000E+00 ppm1      0.218 ppm2      0.847
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7394 weight  0.10000E+01 volume -0.41200E+00 ppm1      0.219 ppm2      1.704
 ASSI (
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )(
     (segid "    " and resid "73  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  8371 weight  0.10000E+01 volume  0.83500E+00 ppm1      1.187 ppm2      4.222
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "6   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6622 weight  0.10000E+01 volume  0.10620E+01 ppm1      1.107 ppm2      4.058
 ASSI (
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )(
     (segid "    " and resid "6   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2867 weight  0.10000E+01 volume  0.63200E+00 ppm1      1.110 ppm2      4.266
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7004 weight  0.10000E+01 volume  0.11090E+01 ppm1      0.807 ppm2      3.671
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8247 weight  0.10000E+01 volume  0.60000E+00 ppm1      0.807 ppm2      3.325
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8148 weight  0.10000E+01 volume -0.80700E+00 ppm1      0.810 ppm2      4.007
 ASSI (
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3552 weight  0.10000E+01 volume  0.95000E-01 ppm1      0.811 ppm2      4.124
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8031 weight  0.10000E+01 volume  0.13100E+01 ppm1     -0.839 ppm2      2.564
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7975 weight  0.10000E+01 volume  0.13500E+00 ppm1     -0.840 ppm2      7.617
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7852 weight  0.10000E+01 volume  0.12600E+00 ppm1     -0.841 ppm2      3.909
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7815 weight  0.10000E+01 volume  0.16170E+01 ppm1     -0.838 ppm2      1.081
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  8041 weight  0.10000E+01 volume  0.16700E+01 ppm1     -0.839 ppm2      1.708
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7926 weight  0.10000E+01 volume -0.15600E+00 ppm1     -0.844 ppm2      2.450
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2167 weight  0.10000E+01 volume  0.49200E+00 ppm1     -0.841 ppm2      1.968
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      6.000     6.000     0.000 peak  8014 weight  0.10000E+01 volume  0.16600E+00 ppm1     -0.840 ppm2      6.561
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      6.000     6.000     0.000 peak  7982 weight  0.10000E+01 volume  0.14900E+00 ppm1     -0.844 ppm2      7.313
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2418 weight  0.10000E+01 volume  0.19500E+00 ppm1      1.351 ppm2      1.696
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      5.000     5.000     0.000 peak  2383 weight  0.10000E+01 volume  0.10330E+01 ppm1      1.355 ppm2      0.797
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7073 weight  0.10000E+01 volume -0.31200E+00 ppm1      1.353 ppm2      1.704
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3423 weight  0.10000E+01 volume -0.17500E+00 ppm1      1.356 ppm2      4.677
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7595 weight  0.10000E+01 volume  0.67600E+00 ppm1      1.350 ppm2      5.447
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7585 weight  0.10000E+01 volume -0.44300E+00 ppm1      0.686 ppm2      2.094
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7735 weight  0.10000E+01 volume -0.43600E+00 ppm1      0.686 ppm2      1.571
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7744 weight  0.10000E+01 volume -0.52100E+00 ppm1      0.685 ppm2      1.022
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2815 weight  0.10000E+01 volume -0.91000E-01 ppm1      0.685 ppm2      4.405
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7571 weight  0.10000E+01 volume -0.84400E+00 ppm1      0.685 ppm2      5.626
 ASSI (
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7599 weight  0.10000E+01 volume  0.63400E+00 ppm1      1.351 ppm2      4.860
 ASSI (
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7578 weight  0.10000E+01 volume -0.44800E+00 ppm1      0.689 ppm2      2.721
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8264 weight  0.10000E+01 volume -0.69200E+00 ppm1      0.758 ppm2      2.112
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7050 weight  0.10000E+01 volume -0.26180E+01 ppm1      0.818 ppm2      4.247
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8253 weight  0.10000E+01 volume -0.25800E+01 ppm1      0.760 ppm2      4.030
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3357 weight  0.10000E+01 volume  0.93000E-01 ppm1      0.817 ppm2      4.860
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7635 weight  0.10000E+01 volume -0.43800E+00 ppm1      0.817 ppm2      3.190
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7090 weight  0.10000E+01 volume -0.55700E+00 ppm1      0.756 ppm2      2.164
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8272 weight  0.10000E+01 volume -0.11130E+01 ppm1      0.760 ppm2      1.690
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  3312 weight  0.10000E+01 volume  0.18170E+01 ppm1      0.818 ppm2      1.620
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3474 weight  0.10000E+01 volume  0.70600E+00 ppm1      0.757 ppm2      4.685
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7508 weight  0.10000E+01 volume -0.59000E+00 ppm1      0.751 ppm2      1.829
 ASSI (
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3362 weight  0.10000E+01 volume -0.51500E+00 ppm1      0.758 ppm2      4.997
 ASSI (
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  3471 weight  0.10000E+01 volume -0.11000E+00 ppm1      0.815 ppm2      3.444
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7494 weight  0.10000E+01 volume -0.14320E+01 ppm1      0.749 ppm2      4.975
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7225 weight  0.10000E+01 volume -0.10050E+01 ppm1      0.754 ppm2      2.556
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7217 weight  0.10000E+01 volume -0.87400E+00 ppm1      0.755 ppm2      2.823
 ASSI (
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7210 weight  0.10000E+01 volume -0.75700E+00 ppm1      0.753 ppm2      5.903
 ASSI (
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8355 weight  0.10000E+01 volume -0.98000E+00 ppm1      0.867 ppm2      4.315
 ASSI (
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8367 weight  0.10000E+01 volume -0.44300E+00 ppm1      0.864 ppm2      1.617
 ASSI (
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )(
     (segid "    " and resid "72  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8621 weight  0.10000E+01 volume  0.61000E+00 ppm1      0.866 ppm2      1.707
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  7401 weight  0.10000E+01 volume -0.87000E-01 ppm1      1.371 ppm2      1.696
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6682 weight  0.10000E+01 volume -0.39800E+00 ppm1      1.366 ppm2      3.032
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7890 weight  0.10000E+01 volume -0.48600E+00 ppm1      1.369 ppm2      4.063
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7353 weight  0.10000E+01 volume -0.49200E+00 ppm1      1.368 ppm2      4.180
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7285 weight  0.10000E+01 volume -0.37100E+00 ppm1      1.368 ppm2      2.821
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7800 weight  0.10000E+01 volume -0.48500E+00 ppm1      1.370 ppm2      3.725
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7796 weight  0.10000E+01 volume -0.46300E+00 ppm1      1.370 ppm2      5.122
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  1880 weight  0.10000E+01 volume -0.40300E+00 ppm1      1.369 ppm2      2.704
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7807 weight  0.10000E+01 volume -0.80900E+00 ppm1      1.367 ppm2      2.529
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7882 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.370 ppm2      1.800
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2979 weight  0.10000E+01 volume -0.32900E+00 ppm1      1.369 ppm2      4.760
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3426 weight  0.10000E+01 volume -0.18100E+00 ppm1      1.372 ppm2      4.491
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3347 weight  0.10000E+01 volume -0.13080E+01 ppm1      1.368 ppm2      4.635
 ASSI (
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6686 weight  0.10000E+01 volume -0.45900E+00 ppm1      1.368 ppm2      2.627
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  6865 weight  0.10000E+01 volume  0.28660E+01 ppm1      0.376 ppm2      0.190
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6851 weight  0.10000E+01 volume  0.72700E+00 ppm1      0.383 ppm2      0.441
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6844 weight  0.10000E+01 volume  0.51500E+00 ppm1      0.374 ppm2      0.772
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6830 weight  0.10000E+01 volume -0.33300E+00 ppm1      0.190 ppm2      0.676
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6843 weight  0.10000E+01 volume  0.67400E+00 ppm1      0.192 ppm2      0.775
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  6873 weight  0.10000E+01 volume  0.57900E+00 ppm1      0.382 ppm2      1.272
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  6878 weight  0.10000E+01 volume -0.37500E+00 ppm1      0.193 ppm2      2.747
 ASSI (
     (segid "    " and resid "18  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  6879 weight  0.10000E+01 volume -0.34600E+00 ppm1      0.379 ppm2      2.747
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6850 weight  0.10000E+01 volume  0.78300E+00 ppm1      0.192 ppm2      0.441
 ASSI (
     (segid "    " and resid "18  " and name "HG2 ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  6872 weight  0.10000E+01 volume  0.70600E+00 ppm1      0.192 ppm2      1.268
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HH2 ")
 )
      5.000     5.000     0.000 peak  8020 weight  0.10000E+01 volume  0.51100E+00 ppm1      1.086 ppm2      6.583
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7399 weight  0.10000E+01 volume -0.33800E+00 ppm1      1.081 ppm2      1.696
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  8043 weight  0.10000E+01 volume  0.23400E+00 ppm1      1.081 ppm2      1.710
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      3.300     3.300     0.000 peak  2480 weight  0.10000E+01 volume  0.18290E+01 ppm1      1.084 ppm2      0.847
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7812 weight  0.10000E+01 volume -0.12610E+01 ppm1      1.078 ppm2      4.851
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7795 weight  0.10000E+01 volume -0.16100E+00 ppm1      1.083 ppm2      5.115
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7525 weight  0.10000E+01 volume  0.49600E+00 ppm1      1.080 ppm2      1.660
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  2184 weight  0.10000E+01 volume -0.48800E+00 ppm1      0.797 ppm2      1.317
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7592 weight  0.10000E+01 volume  0.65600E+00 ppm1      0.796 ppm2      5.447
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7107 weight  0.10000E+01 volume  0.10430E+01 ppm1      0.795 ppm2      1.916
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2389 weight  0.10000E+01 volume -0.47400E+00 ppm1      0.796 ppm2      1.486
 ASSI (
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8034 weight  0.10000E+01 volume  0.13700E+00 ppm1      1.082 ppm2      2.563
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7093 weight  0.10000E+01 volume -0.57300E+00 ppm1      0.796 ppm2      2.171
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1960 weight  0.10000E+01 volume -0.11560E+01 ppm1      0.800 ppm2      4.677
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  2267 weight  0.10000E+01 volume -0.71900E+00 ppm1      0.797 ppm2      1.288
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7509 weight  0.10000E+01 volume -0.44500E+00 ppm1      0.796 ppm2      1.829
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3358 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.799 ppm2      4.860
 ASSI (
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7005 weight  0.10000E+01 volume  0.34500E+00 ppm1      0.797 ppm2      3.678
 ASSI (
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6694 weight  0.10000E+01 volume -0.49800E+00 ppm1      1.415 ppm2      4.469
 ASSI (
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )(
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  6712 weight  0.10000E+01 volume  0.31390E+01 ppm1      1.418 ppm2      1.703
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6758 weight  0.10000E+01 volume -0.47500E+00 ppm1      1.303 ppm2      4.247
 ASSI (
     (segid "    " and resid "46  " and name "HB2 ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3475 weight  0.10000E+01 volume  0.68310E+01 ppm1      3.605 ppm2      3.329
 ASSI (
     (segid "    " and resid "46  " and name "HB2 ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7660 weight  0.10000E+01 volume -0.75900E+00 ppm1      3.602 ppm2      4.405
 ASSI (
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8462 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.415 ppm2      3.832
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "23  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7057 weight  0.10000E+01 volume  0.80500E+00 ppm1      0.876 ppm2      1.621
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  6973 weight  0.10000E+01 volume  0.24200E+00 ppm1      0.875 ppm2      1.757
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6984 weight  0.10000E+01 volume  0.36700E+00 ppm1      0.877 ppm2      1.978
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      5.000     5.000     0.000 peak  3844 weight  0.10000E+01 volume  0.51300E+00 ppm1      0.877 ppm2      0.746
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6889 weight  0.10000E+01 volume -0.14100E+00 ppm1      0.876 ppm2      4.143
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6962 weight  0.10000E+01 volume  0.14500E+00 ppm1      0.872 ppm2      2.274
 ASSI (
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7673 weight  0.10000E+01 volume -0.58900E+00 ppm1      0.871 ppm2      3.444
 ASSI (
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )(
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  7909 weight  0.10000E+01 volume -0.56700E+00 ppm1      1.338 ppm2      2.955
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8362 weight  0.10000E+01 volume -0.43300E+00 ppm1      0.924 ppm2      1.738
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8368 weight  0.10000E+01 volume -0.71200E+00 ppm1      0.922 ppm2      1.617
 ASSI (
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7898 weight  0.10000E+01 volume -0.13230E+01 ppm1      1.334 ppm2      3.986
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8356 weight  0.10000E+01 volume -0.15400E+00 ppm1      0.925 ppm2      4.315
 ASSI (
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )(
     (segid "    " and resid "69  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8349 weight  0.10000E+01 volume -0.23000E+00 ppm1      0.925 ppm2      4.220
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8122 weight  0.10000E+01 volume  0.13200E+01 ppm1      1.187 ppm2      1.549
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      3.300     3.300     0.000 peak  8127 weight  0.10000E+01 volume  0.18220E+01 ppm1      1.189 ppm2      1.407
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  8112 weight  0.10000E+01 volume  0.38770E+01 ppm1      1.191 ppm2      1.368
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8080 weight  0.10000E+01 volume  0.69900E+00 ppm1      1.188 ppm2      3.787
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8081 weight  0.10000E+01 volume  0.57200E+00 ppm1      1.387 ppm2      3.787
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7941 weight  0.10000E+01 volume -0.31000E+00 ppm1      1.190 ppm2      3.608
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7942 weight  0.10000E+01 volume -0.42400E+00 ppm1      1.381 ppm2      3.608
 ASSI (
     (segid "    " and resid "59  " and name "HG2 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  8136 weight  0.10000E+01 volume -0.57300E+00 ppm1      1.190 ppm2      2.801
 ASSI (
     (segid "    " and resid "59  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  8137 weight  0.10000E+01 volume -0.75700E+00 ppm1      1.391 ppm2      2.801
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3688 weight  0.10000E+01 volume  0.10200E+00 ppm1      0.746 ppm2      4.226
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  2439 weight  0.10000E+01 volume  0.15920E+01 ppm1      0.748 ppm2      1.547
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2782 weight  0.10000E+01 volume -0.13900E+00 ppm1      0.747 ppm2      4.438
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7746 weight  0.10000E+01 volume -0.92100E+00 ppm1      0.747 ppm2      1.022
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7736 weight  0.10000E+01 volume -0.10480E+01 ppm1      0.746 ppm2      1.571
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6632 weight  0.10000E+01 volume -0.51700E+00 ppm1      0.744 ppm2      2.706
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  7206 weight  0.10000E+01 volume  0.12300E+00 ppm1      1.077 ppm2      7.308
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7146 weight  0.10000E+01 volume  0.11400E+00 ppm1      1.069 ppm2      4.686
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7180 weight  0.10000E+01 volume  0.13560E+01 ppm1      0.613 ppm2      0.700
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "25  " and name "HG12")
 )
      5.000     5.000     0.000 peak  7161 weight  0.10000E+01 volume  0.98500E+00 ppm1      1.071 ppm2      0.620
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  2031 weight  0.10000E+01 volume  0.95000E-01 ppm1      1.073 ppm2      3.140
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7621 weight  0.10000E+01 volume -0.10000E+00 ppm1      1.069 ppm2      3.794
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7196 weight  0.10000E+01 volume  0.10900E+00 ppm1      1.074 ppm2      3.354
 ASSI (
     (segid "    " and resid "25  " and name "HG12")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7618 weight  0.10000E+01 volume -0.12700E+00 ppm1      0.620 ppm2      3.776
 ASSI (
     (segid "    " and resid "25  " and name "HG11")
 )(
     (segid "    " and resid "25  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7151 weight  0.10000E+01 volume -0.40500E+00 ppm1      1.072 ppm2      1.770
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8202 weight  0.10000E+01 volume  0.81000E-01 ppm1      0.826 ppm2      0.433
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7009 weight  0.10000E+01 volume  0.93200E+00 ppm1      1.912 ppm2      3.664
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8639 weight  0.10000E+01 volume  0.38600E+00 ppm1      0.823 ppm2      3.360
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8278 weight  0.10000E+01 volume  0.13860E+01 ppm1      0.822 ppm2      1.873
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7098 weight  0.10000E+01 volume -0.50700E+00 ppm1      1.915 ppm2      2.164
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7094 weight  0.10000E+01 volume -0.35600E+00 ppm1      0.822 ppm2      2.164
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1857 weight  0.10000E+01 volume -0.35700E+00 ppm1      0.824 ppm2      4.031
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7227 weight  0.10000E+01 volume -0.36000E+00 ppm1      0.825 ppm2      2.556
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3361 weight  0.10000E+01 volume -0.43800E+00 ppm1      0.821 ppm2      4.997
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8405 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.822 ppm2      6.933
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8265 weight  0.10000E+01 volume -0.73400E+00 ppm1      0.825 ppm2      2.112
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7122 weight  0.10000E+01 volume  0.11990E+01 ppm1      1.918 ppm2      1.003
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7218 weight  0.10000E+01 volume -0.24600E+00 ppm1      0.823 ppm2      2.823
 ASSI (
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7211 weight  0.10000E+01 volume -0.16400E+00 ppm1      0.822 ppm2      5.902
 ASSI (
     (segid "    " and resid "24  " and name "HG  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2027 weight  0.10000E+01 volume -0.19400E+00 ppm1      1.916 ppm2      4.665
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7512 weight  0.10000E+01 volume -0.49500E+00 ppm1      1.664 ppm2      1.829
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7520 weight  0.10000E+01 volume -0.38500E+00 ppm1      1.662 ppm2      1.486
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7539 weight  0.10000E+01 volume  0.84600E+00 ppm1      1.660 ppm2      0.847
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  2663 weight  0.10000E+01 volume  0.41800E+00 ppm1      1.664 ppm2      0.718
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )
      5.000     5.000     0.000 peak  7557 weight  0.10000E+01 volume  0.12210E+01 ppm1      1.665 ppm2      0.753
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7981 weight  0.10000E+01 volume  0.49200E+00 ppm1      3.501 ppm2      7.623
 ASSI (
     (segid "    " and resid "41  " and name "HG  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7499 weight  0.10000E+01 volume -0.23400E+00 ppm1      1.662 ppm2      4.975
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3050 weight  0.10000E+01 volume  0.38600E+00 ppm1      1.270 ppm2      2.007
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8490 weight  0.10000E+01 volume  0.99000E-01 ppm1      3.501 ppm2      1.274
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      5.000     5.000     0.000 peak  6911 weight  0.10000E+01 volume  0.14940E+01 ppm1      0.534 ppm2      1.463
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  6884 weight  0.10000E+01 volume -0.11200E+00 ppm1      3.489 ppm2      2.747
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7400 weight  0.10000E+01 volume -0.51700E+00 ppm1      1.270 ppm2      1.696
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  3817 weight  0.10000E+01 volume -0.60700E+00 ppm1      1.469 ppm2      1.317
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8489 weight  0.10000E+01 volume  0.13000E+00 ppm1      3.216 ppm2      1.281
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7971 weight  0.10000E+01 volume  0.16230E+01 ppm1      3.504 ppm2      3.215
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7961 weight  0.10000E+01 volume -0.91300E+00 ppm1      3.216 ppm2      4.450
 ASSI (
     (segid "    " and resid "57  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7962 weight  0.10000E+01 volume -0.94300E+00 ppm1      3.504 ppm2      4.450
 ASSI (
     (segid "    " and resid "19  " and name "HG11")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6891 weight  0.10000E+01 volume -0.33300E+00 ppm1      1.462 ppm2      4.143
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2672 weight  0.10000E+01 volume  0.13700E+00 ppm1      1.791 ppm2      0.718
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7410 weight  0.10000E+01 volume  0.12630E+01 ppm1      1.272 ppm2      0.679
 ASSI (
     (segid "    " and resid "39  " and name "HG12")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7387 weight  0.10000E+01 volume -0.24900E+00 ppm1      1.266 ppm2      4.493
 ASSI (
     (segid "    " and resid "19  " and name "HG12")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6887 weight  0.10000E+01 volume -0.33700E+00 ppm1      0.532 ppm2      4.143
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3000 weight  0.10000E+01 volume -0.18100E+00 ppm1      1.797 ppm2      4.760
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7858 weight  0.10000E+01 volume  0.38600E+00 ppm1      1.798 ppm2      3.909
 ASSI (
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HG12")
  OR 
     (segid "    " and resid "39  " and name "HG11")
 )
      5.000     5.000     0.000 peak  3067 weight  0.10000E+01 volume  0.41100E+00 ppm1      1.801 ppm2      1.268
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3365 weight  0.10000E+01 volume -0.16100E+00 ppm1      1.796 ppm2      4.635
 ASSI (
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7414 weight  0.10000E+01 volume  0.30300E+00 ppm1      1.796 ppm2      0.676
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7868 weight  0.10000E+01 volume  0.27080E+01 ppm1      1.803 ppm2      2.007
 ASSI (
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  6883 weight  0.10000E+01 volume -0.12900E+00 ppm1      3.220 ppm2      2.747
 ASSI (
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )(
     (segid "    " and resid "53  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  7874 weight  0.10000E+01 volume  0.43470E+01 ppm1      1.802 ppm2      1.885
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      3.300     3.300     0.000 peak  7458 weight  0.10000E+01 volume  0.23730E+01 ppm1      1.242 ppm2      1.377
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3460 weight  0.10000E+01 volume -0.26500E+00 ppm1      1.234 ppm2      4.734
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3463 weight  0.10000E+01 volume -0.32900E+00 ppm1      1.380 ppm2      4.734
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7444 weight  0.10000E+01 volume -0.14300E+00 ppm1      1.378 ppm2      4.917
 ASSI (
     (segid "    " and resid "40  " and name "HG11")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7452 weight  0.10000E+01 volume -0.81000E+00 ppm1      1.381 ppm2      1.974
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7443 weight  0.10000E+01 volume -0.21300E+00 ppm1      1.237 ppm2      4.920
 ASSI (
     (segid "    " and resid "40  " and name "HG12")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7451 weight  0.10000E+01 volume -0.73000E+00 ppm1      1.237 ppm2      1.973
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7749 weight  0.10000E+01 volume -0.75600E+00 ppm1      1.562 ppm2      1.022
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  3538 weight  0.10000E+01 volume -0.35890E+01 ppm1      1.717 ppm2      1.618
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3286 weight  0.10000E+01 volume -0.66000E+00 ppm1      1.719 ppm2      4.315
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      3.300     3.300     0.000 peak  7768 weight  0.10000E+01 volume  0.18740E+01 ppm1      1.553 ppm2      0.685
 ASSI (
     (segid "    " and resid "72  " and name "HG  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3513 weight  0.10000E+01 volume -0.33240E+01 ppm1      1.711 ppm2      1.742
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7730 weight  0.10000E+01 volume -0.34500E+00 ppm1      1.556 ppm2      5.462
 ASSI (
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7355 weight  0.10000E+01 volume -0.62800E+00 ppm1      1.539 ppm2      4.180
 ASSI (
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )(
     (segid "    " and resid "74  " and name "HB2 ")
  OR 
     (segid "    " and resid "74  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8629 weight  0.10000E+01 volume  0.75100E+01 ppm1      1.599 ppm2      1.811
 ASSI (
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8377 weight  0.10000E+01 volume -0.41500E+00 ppm1      1.600 ppm2      4.333
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  1961 weight  0.10000E+01 volume -0.15400E+00 ppm1      0.994 ppm2      4.686
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2812 weight  0.10000E+01 volume -0.14600E+00 ppm1      0.993 ppm2      4.005
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7006 weight  0.10000E+01 volume  0.19840E+01 ppm1      0.995 ppm2      3.666
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3920 weight  0.10000E+01 volume  0.12980E+01 ppm1      0.991 ppm2      0.847
 ASSI (
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7096 weight  0.10000E+01 volume -0.92400E+00 ppm1      0.997 ppm2      2.173
 ASSI (
     (segid "    " and resid "47  " and name "HG2 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7686 weight  0.10000E+01 volume -0.38600E+00 ppm1      1.392 ppm2      4.413
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7687 weight  0.10000E+01 volume -0.56300E+00 ppm1      1.554 ppm2      4.413
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6966 weight  0.10000E+01 volume  0.92900E+00 ppm1      1.806 ppm2      2.274
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6967 weight  0.10000E+01 volume  0.11320E+01 ppm1      1.985 ppm2      2.274
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3803 weight  0.10000E+01 volume -0.42700E+00 ppm1      1.978 ppm2      4.143
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG22")
  OR 
     (segid "    " and resid "19  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2315 weight  0.10000E+01 volume  0.14900E+00 ppm1      1.805 ppm2      0.746
 ASSI (
     (segid "    " and resid "47  " and name "HG1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  7711 weight  0.10000E+01 volume  0.17758E+02 ppm1      1.554 ppm2      1.394
 ASSI (
     (segid "    " and resid "67  " and name "HG1 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8317 weight  0.10000E+01 volume -0.60000E+00 ppm1      1.803 ppm2      4.117
 ASSI (
     (segid "    " and resid "47  " and name "HG2 ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7700 weight  0.10000E+01 volume  0.16080E+01 ppm1      1.396 ppm2      1.613
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7665 weight  0.10000E+01 volume -0.69000E+00 ppm1      1.984 ppm2      3.599
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7677 weight  0.10000E+01 volume -0.12870E+01 ppm1      1.981 ppm2      3.444
 ASSI (
     (segid "    " and resid "47  " and name "HG2 ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7692 weight  0.10000E+01 volume  0.91600E+00 ppm1      1.397 ppm2      1.717
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7664 weight  0.10000E+01 volume -0.86100E+00 ppm1      1.801 ppm2      3.603
 ASSI (
     (segid "    " and resid "20  " and name "HG1 ")
 )(
     (segid "    " and resid "20  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  6976 weight  0.10000E+01 volume  0.21180E+01 ppm1      1.985 ppm2      1.757
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  6986 weight  0.10000E+01 volume  0.79900E+01 ppm1      1.804 ppm2      1.978
 ASSI (
     (segid "    " and resid "20  " and name "HG2 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7676 weight  0.10000E+01 volume -0.10280E+01 ppm1      1.805 ppm2      3.444
 ASSI (
     (segid "    " and resid "67  " and name "HG2 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8316 weight  0.10000E+01 volume -0.62700E+00 ppm1      1.641 ppm2      4.117
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  7952 weight  0.10000E+01 volume  0.59250E+01 ppm1      2.137 ppm2      2.259
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  8652 weight  0.10000E+01 volume  0.24870E+01 ppm1      2.254 ppm2      2.390
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  8651 weight  0.10000E+01 volume  0.28730E+01 ppm1      2.132 ppm2      2.391
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8249 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.874 ppm2      3.322
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7240 weight  0.10000E+01 volume  0.26600E+00 ppm1      1.874 ppm2      6.712
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8267 weight  0.10000E+01 volume -0.74300E+00 ppm1      1.879 ppm2      2.112
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8256 weight  0.10000E+01 volume -0.71700E+00 ppm1      1.876 ppm2      4.030
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  7646 weight  0.10000E+01 volume  0.35940E+01 ppm1      2.315 ppm2      1.794
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7108 weight  0.10000E+01 volume -0.65400E+00 ppm1      0.847 ppm2      1.829
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  1981 weight  0.10000E+01 volume  0.30200E+00 ppm1      0.850 ppm2     -0.842
 ASSI (
     (segid "    " and resid "65  " and name "HG  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      3.300     3.300     0.000 peak  7561 weight  0.10000E+01 volume  0.16670E+01 ppm1      1.878 ppm2      0.760
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7496 weight  0.10000E+01 volume -0.20600E+00 ppm1      0.846 ppm2      4.976
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3359 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.589 ppm2      4.860
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3834 weight  0.10000E+01 volume -0.15600E+00 ppm1      0.849 ppm2      1.317
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (segid "    " and resid "45  " and name "HG2 ")
  OR 
     (segid "    " and resid "45  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  1898 weight  0.10000E+01 volume -0.23990E+01 ppm1      1.793 ppm2      2.388
 ASSI (
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7519 weight  0.10000E+01 volume -0.39100E+00 ppm1      0.846 ppm2      1.486
 ASSI (
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7622 weight  0.10000E+01 volume -0.10600E+01 ppm1      1.580 ppm2      3.776
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7295 weight  0.10000E+01 volume -0.15580E+01 ppm1      2.311 ppm2      4.266
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6637 weight  0.10000E+01 volume  0.77600E+00 ppm1      1.456 ppm2      4.227
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      3.300     3.300     0.000 peak  6661 weight  0.10000E+01 volume  0.18770E+01 ppm1      1.456 ppm2      0.750
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "10  " and name "HG12")
 )
      2.700     2.700     0.000 peak  6653 weight  0.10000E+01 volume  0.30670E+01 ppm1      1.452 ppm2      0.823
 ASSI (
     (segid "    " and resid "10  " and name "HG12")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6636 weight  0.10000E+01 volume  0.41600E+00 ppm1      0.832 ppm2      4.227
 ASSI (
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6645 weight  0.10000E+01 volume -0.60800E+00 ppm1      1.455 ppm2      1.729
 ASSI (
     (segid "    " and resid "10  " and name "HG12")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6644 weight  0.10000E+01 volume -0.32100E+00 ppm1      0.829 ppm2      1.715
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8143 weight  0.10000E+01 volume -0.12750E+01 ppm1      2.134 ppm2      4.306
 ASSI (
     (segid "    " and resid "54  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HD1 ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7899 weight  0.10000E+01 volume -0.28500E+00 ppm1      1.635 ppm2      3.986
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8232 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.350 ppm2      2.130
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8236 weight  0.10000E+01 volume -0.55000E+00 ppm1      3.288 ppm2      4.196
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8237 weight  0.10000E+01 volume -0.57000E+00 ppm1      3.353 ppm2      4.196
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8154 weight  0.10000E+01 volume -0.46400E+00 ppm1      3.296 ppm2      4.007
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8155 weight  0.10000E+01 volume -0.36300E+00 ppm1      3.363 ppm2      4.007
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      6.000     6.000     0.000 peak  7034 weight  0.10000E+01 volume  0.19800E+00 ppm1      3.287 ppm2      0.717
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      6.000     6.000     0.000 peak  7035 weight  0.10000E+01 volume  0.19900E+00 ppm1      3.357 ppm2      0.717
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8170 weight  0.10000E+01 volume  0.15100E+00 ppm1      3.356 ppm2      1.415
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8412 weight  0.10000E+01 volume  0.27900E+00 ppm1      3.292 ppm2      6.933
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8414 weight  0.10000E+01 volume  0.22300E+00 ppm1      3.357 ppm2      6.933
 ASSI (
     (segid "    " and resid "14  " and name "HD2 ")
  OR 
     (segid "    " and resid "14  " and name "HD1 ")
 )(
     (segid "    " and resid "14  " and name "HE2 ")
  OR 
     (segid "    " and resid "14  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  6786 weight  0.10000E+01 volume -0.90300E+00 ppm1      1.704 ppm2      3.011
 ASSI (
     (segid "    " and resid "29  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  8594 weight  0.10000E+01 volume  0.73710E+01 ppm1      2.174 ppm2      1.992
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8168 weight  0.10000E+01 volume  0.23600E+00 ppm1      3.285 ppm2      1.416
 ASSI (
     (segid "    " and resid "64  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7024 weight  0.10000E+01 volume  0.35100E+00 ppm1      3.349 ppm2      0.803
 ASSI (
     (segid "    " and resid "29  " and name "HB2 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7278 weight  0.10000E+01 volume -0.71700E+00 ppm1      1.991 ppm2      4.509
 ASSI (
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7023 weight  0.10000E+01 volume  0.45600E+00 ppm1      3.293 ppm2      0.803
 ASSI (
     (segid "    " and resid "29  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7279 weight  0.10000E+01 volume -0.85300E+00 ppm1      2.173 ppm2      4.509
 ASSI (
     (segid "    " and resid "29  " and name "HB2 ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  8600 weight  0.10000E+01 volume -0.24850E+01 ppm1      1.992 ppm2      2.467
 ASSI (
     (segid "    " and resid "3   " and name "HB2 ")
 )(
     (segid "    " and resid "3   " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8421 weight  0.10000E+01 volume  0.29748E+02 ppm1      3.113 ppm2      3.217
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6847 weight  0.10000E+01 volume  0.68800E+00 ppm1      1.271 ppm2      0.772
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7356 weight  0.10000E+01 volume -0.15850E+01 ppm1      1.721 ppm2      4.180
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6854 weight  0.10000E+01 volume  0.67600E+00 ppm1      1.277 ppm2      0.441
 ASSI (
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )(
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  6882 weight  0.10000E+01 volume -0.10920E+01 ppm1      1.275 ppm2      2.747
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8176 weight  0.10000E+01 volume -0.46200E+00 ppm1      0.439 ppm2      1.857
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8070 weight  0.10000E+01 volume  0.37600E+00 ppm1      2.032 ppm2      0.216
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3915 weight  0.10000E+01 volume  0.25500E+00 ppm1      2.038 ppm2      1.423
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  8190 weight  0.10000E+01 volume  0.21620E+01 ppm1      0.436 ppm2      2.034
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8092 weight  0.10000E+01 volume  0.13100E+00 ppm1      2.032 ppm2      3.798
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8638 weight  0.10000E+01 volume  0.51100E+00 ppm1      0.436 ppm2      3.360
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      2.700     2.700     0.000 peak  8123 weight  0.10000E+01 volume  0.41130E+01 ppm1      1.408 ppm2      1.549
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7243 weight  0.10000E+01 volume  0.14400E+00 ppm1      2.021 ppm2      6.728
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8185 weight  0.10000E+01 volume -0.45800E+00 ppm1      2.025 ppm2      1.516
 ASSI (
     (segid "    " and resid "59  " and name "HD1 ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  8140 weight  0.10000E+01 volume -0.66000E+00 ppm1      1.552 ppm2      2.801
 ASSI (
     (segid "    " and resid "62  " and name "HG1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8648 weight  0.10000E+01 volume  0.47500E+00 ppm1      2.031 ppm2      3.361
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7232 weight  0.10000E+01 volume  0.15100E+00 ppm1      0.440 ppm2      6.711
 ASSI (
     (segid "    " and resid "59  " and name "HD2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7943 weight  0.10000E+01 volume -0.33300E+00 ppm1      1.407 ppm2      3.608
 ASSI (
     (segid "    " and resid "62  " and name "HG2 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8182 weight  0.10000E+01 volume -0.36900E+00 ppm1      0.437 ppm2      1.516
 ASSI (
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8318 weight  0.10000E+01 volume -0.16330E+01 ppm1      1.879 ppm2      4.117
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  7641 weight  0.10000E+01 volume -0.16090E+01 ppm1      1.781 ppm2      3.190
 ASSI (
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7623 weight  0.10000E+01 volume -0.15350E+01 ppm1      1.786 ppm2      3.776
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7911 weight  0.10000E+01 volume -0.14960E+01 ppm1      1.974 ppm2      4.151
 ASSI (
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7296 weight  0.10000E+01 volume -0.11820E+01 ppm1      2.199 ppm2      4.242
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7294 weight  0.10000E+01 volume -0.10320E+01 ppm1      1.989 ppm2      4.242
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  7302 weight  0.10000E+01 volume -0.23410E+01 ppm1      1.987 ppm2      2.460
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  7920 weight  0.10000E+01 volume  0.46010E+01 ppm1      1.974 ppm2      1.787
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7935 weight  0.10000E+01 volume -0.69100E+00 ppm1      1.792 ppm2      2.243
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7936 weight  0.10000E+01 volume -0.69400E+00 ppm1      1.974 ppm2      2.243
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7927 weight  0.10000E+01 volume -0.65600E+00 ppm1      1.787 ppm2      2.457
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7976 weight  0.10000E+01 volume  0.53500E+00 ppm1      1.791 ppm2      7.623
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7928 weight  0.10000E+01 volume -0.55800E+00 ppm1      1.970 ppm2      2.457
 ASSI (
     (segid "    " and resid "0   " and name "HG1 ")
 )(
     (segid "    " and resid "0   " and name "HB2 ")
  OR 
     (segid "    " and resid "0   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2806 weight  0.10000E+01 volume -0.47900E+00 ppm1      2.501 ppm2      2.072
 ASSI (
     (segid "    " and resid "0   " and name "HG2 ")
 )(
     (segid "    " and resid "0   " and name "HB2 ")
  OR 
     (segid "    " and resid "0   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2805 weight  0.10000E+01 volume -0.45700E+00 ppm1      2.434 ppm2      2.072
 ASSI (
     (segid "    " and resid "0   " and name "HG1 ")
 )(
     (segid "    " and resid "0   " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  8381 weight  0.10000E+01 volume  0.13097E+02 ppm1      2.502 ppm2      2.433
 ASSI (
     (segid "    " and resid "74  " and name "HB2 ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  8634 weight  0.10000E+01 volume  0.42420E+01 ppm1      1.781 ppm2      1.607
 ASSI (
     (segid "    " and resid "74  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  8633 weight  0.10000E+01 volume  0.39700E+01 ppm1      1.850 ppm2      1.607
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8038 weight  0.10000E+01 volume  0.37200E+00 ppm1      1.714 ppm2      2.565
 ASSI (
     (segid "    " and resid "58  " and name "HB  ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7859 weight  0.10000E+01 volume  0.48100E+00 ppm1      1.707 ppm2      3.909
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7689 weight  0.10000E+01 volume -0.48300E+00 ppm1      1.716 ppm2      4.413
 ASSI (
     (segid "    " and resid "47  " and name "HB2 ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2436 weight  0.10000E+01 volume  0.13800E+00 ppm1      1.616 ppm2      1.355
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  7704 weight  0.10000E+01 volume  0.88080E+01 ppm1      1.713 ppm2      1.613
 ASSI (
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  8664 weight  0.10000E+01 volume  0.24200E+00 ppm1      1.718 ppm2      7.223
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3547 weight  0.10000E+01 volume  0.94000E-01 ppm1      1.936 ppm2      4.124
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3152 weight  0.10000E+01 volume  0.13600E+00 ppm1      1.936 ppm2      1.423
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7011 weight  0.10000E+01 volume  0.10090E+01 ppm1      1.941 ppm2      3.665
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      3.300     3.300     0.000 peak  7021 weight  0.10000E+01 volume  0.15640E+01 ppm1      1.937 ppm2      0.803
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8408 weight  0.10000E+01 volume  0.18900E+00 ppm1      1.938 ppm2      6.936
 ASSI (
     (segid "    " and resid "21  " and name "HB  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7123 weight  0.10000E+01 volume  0.31200E+00 ppm1      1.932 ppm2      0.993
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      6.000     6.000     0.000 peak  7416 weight  0.10000E+01 volume  0.21500E+00 ppm1      1.888 ppm2      0.669
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8091 weight  0.10000E+01 volume  0.10350E+01 ppm1      1.792 ppm2      3.787
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8090 weight  0.10000E+01 volume  0.14170E+01 ppm1      1.712 ppm2      3.787
 ASSI (
     (segid "    " and resid "59  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7945 weight  0.10000E+01 volume -0.82700E+00 ppm1      1.719 ppm2      3.608
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7893 weight  0.10000E+01 volume -0.53500E+00 ppm1      2.004 ppm2      4.048
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7417 weight  0.10000E+01 volume  0.40000E+00 ppm1      2.019 ppm2      0.669
 ASSI (
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7946 weight  0.10000E+01 volume -0.71900E+00 ppm1      1.784 ppm2      3.608
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7892 weight  0.10000E+01 volume -0.57700E+00 ppm1      1.883 ppm2      4.048
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  6979 weight  0.10000E+01 volume  0.23860E+01 ppm1      2.279 ppm2      1.757
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7663 weight  0.10000E+01 volume -0.27100E+00 ppm1      1.766 ppm2      3.603
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7679 weight  0.10000E+01 volume -0.30700E+00 ppm1      2.275 ppm2      3.444
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7678 weight  0.10000E+01 volume -0.42700E+00 ppm1      1.764 ppm2      3.444
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6956 weight  0.10000E+01 volume  0.61200E+00 ppm1      2.275 ppm2      4.125
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  3947 weight  0.10000E+01 volume  0.27400E+00 ppm1      1.762 ppm2      1.339
 ASSI (
     (segid "    " and resid "20  " and name "HB2 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6950 weight  0.10000E+01 volume  0.33000E+00 ppm1      1.771 ppm2      4.125
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  7207 weight  0.10000E+01 volume  0.14400E+00 ppm1      3.143 ppm2      7.294
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  7199 weight  0.10000E+01 volume  0.41400E+01 ppm1      3.144 ppm2      3.347
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  6853 weight  0.10000E+01 volume  0.21490E+01 ppm1      0.778 ppm2      0.441
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6833 weight  0.10000E+01 volume -0.86000E+00 ppm1      0.431 ppm2      0.675
 ASSI (
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6826 weight  0.10000E+01 volume  0.85000E-01 ppm1      0.770 ppm2      3.806
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6824 weight  0.10000E+01 volume  0.62000E-01 ppm1      0.444 ppm2      3.805
 ASSI (
     (segid "    " and resid "26  " and name "HB1 ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7192 weight  0.10000E+01 volume -0.96800E+00 ppm1      3.349 ppm2      5.004
 ASSI (
     (segid "    " and resid "26  " and name "HB2 ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7191 weight  0.10000E+01 volume -0.85600E+00 ppm1      3.145 ppm2      4.998
 ASSI (
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7270 weight  0.10000E+01 volume -0.97900E+00 ppm1      2.005 ppm2      4.482
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )
      3.300     3.300     0.000 peak  2811 weight  0.10000E+01 volume  0.15500E+01 ppm1      2.033 ppm2      0.882
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2808 weight  0.10000E+01 volume  0.57500E+00 ppm1      2.037 ppm2      4.173
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  1812 weight  0.10000E+01 volume -0.26100E+00 ppm1      2.291 ppm2      1.975
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7271 weight  0.10000E+01 volume -0.70500E+00 ppm1      2.148 ppm2      4.477
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8616 weight  0.10000E+01 volume -0.65700E+00 ppm1      1.666 ppm2      4.242
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7573 weight  0.10000E+01 volume -0.31300E+00 ppm1      1.778 ppm2      5.626
 ASSI (
     (segid "    " and resid "7   " and name "HB1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8617 weight  0.10000E+01 volume -0.73800E+00 ppm1      1.724 ppm2      4.242
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7574 weight  0.10000E+01 volume -0.20800E+00 ppm1      1.959 ppm2      5.626
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "0   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  2804 weight  0.10000E+01 volume -0.81100E+00 ppm1      2.076 ppm2      2.503
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  7587 weight  0.10000E+01 volume -0.28600E+00 ppm1      1.771 ppm2      2.094
 ASSI (
     (segid "    " and resid "28  " and name "HG2 ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      6.000     6.000     0.000 peak  7474 weight  0.10000E+01 volume  0.14600E+00 ppm1      2.151 ppm2      0.833
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      6.000     6.000     0.000 peak  7475 weight  0.10000E+01 volume  0.10400E+00 ppm1      2.290 ppm2      0.833
 ASSI (
     (segid "    " and resid "42  " and name "HB2 ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7580 weight  0.10000E+01 volume -0.19500E+00 ppm1      1.769 ppm2      2.721
 ASSI (
     (segid "    " and resid "5   " and name "HB  ")
 )(
     (segid "    " and resid "0   " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  2803 weight  0.10000E+01 volume -0.38800E+00 ppm1      2.075 ppm2      2.433
 ASSI (
     (segid "    " and resid "15  " and name "HB2 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3429 weight  0.10000E+01 volume -0.24500E+00 ppm1      2.147 ppm2      4.821
 ASSI (
     (segid "    " and resid "28  " and name "HG1 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7272 weight  0.10000E+01 volume -0.26300E+00 ppm1      2.291 ppm2      4.477
 ASSI (
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3431 weight  0.10000E+01 volume -0.20200E+00 ppm1      2.280 ppm2      4.821
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7949 weight  0.10000E+01 volume -0.54900E+00 ppm1      2.400 ppm2      3.608
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7581 weight  0.10000E+01 volume -0.21200E+00 ppm1      1.961 ppm2      2.721
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7960 weight  0.10000E+01 volume -0.91000E-01 ppm1      2.395 ppm2      4.450
 ASSI (
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7588 weight  0.10000E+01 volume -0.31100E+00 ppm1      1.953 ppm2      2.094
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8592 weight  0.10000E+01 volume -0.37280E+01 ppm1      2.467 ppm2      2.170
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7422 weight  0.10000E+01 volume -0.49700E+00 ppm1      2.466 ppm2      0.677
 ASSI (
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8589 weight  0.10000E+01 volume  0.79800E+00 ppm1      2.468 ppm2      4.509
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  6732 weight  0.10000E+01 volume  0.21730E+01 ppm1      2.874 ppm2      2.549
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7330 weight  0.10000E+01 volume  0.10020E+01 ppm1      1.677 ppm2      4.051
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7851 weight  0.10000E+01 volume  0.32700E+00 ppm1      2.875 ppm2      2.449
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7329 weight  0.10000E+01 volume  0.61500E+00 ppm1      1.352 ppm2      4.051
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8184 weight  0.10000E+01 volume  0.22500E+01 ppm1      1.854 ppm2      1.516
 ASSI (
     (segid "    " and resid "15  " and name "HG2 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3436 weight  0.10000E+01 volume  0.23700E+00 ppm1      2.547 ppm2      4.821
 ASSI (
     (segid "    " and resid "15  " and name "HG1 ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3458 weight  0.10000E+01 volume  0.20800E+00 ppm1      2.874 ppm2      4.821
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8643 weight  0.10000E+01 volume -0.44100E+00 ppm1      1.861 ppm2      3.358
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7340 weight  0.10000E+01 volume  0.27380E+01 ppm1      1.676 ppm2      1.351
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8085 weight  0.10000E+01 volume -0.16700E+00 ppm1      1.514 ppm2      3.791
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8641 weight  0.10000E+01 volume -0.45400E+00 ppm1      1.520 ppm2      3.361
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8225 weight  0.10000E+01 volume  0.32400E+00 ppm1      2.511 ppm2      4.061
 ASSI (
     (segid "    " and resid "63  " and name "HG2 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8224 weight  0.10000E+01 volume  0.63300E+00 ppm1      2.308 ppm2      4.061
 ASSI (
     (segid "    " and resid "63  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8230 weight  0.10000E+01 volume -0.22510E+01 ppm1      2.514 ppm2      2.131
 ASSI (
     (segid "    " and resid "14  " and name "HB1 ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6696 weight  0.10000E+01 volume  0.10550E+01 ppm1      1.842 ppm2      4.481
 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6695 weight  0.10000E+01 volume  0.10150E+01 ppm1      1.778 ppm2      4.481
 ASSI (
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  7297 weight  0.10000E+01 volume -0.34040E+01 ppm1      2.464 ppm2      2.194
 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7643 weight  0.10000E+01 volume  0.13470E+01 ppm1      2.367 ppm2      4.268
 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7647 weight  0.10000E+01 volume -0.12910E+01 ppm1      2.359 ppm2      1.794
 ASSI (
     (segid "    " and resid "45  " and name "HG1 ")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7648 weight  0.10000E+01 volume -0.10380E+01 ppm1      2.425 ppm2      1.794
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7589 weight  0.10000E+01 volume  0.14210E+01 ppm1      2.722 ppm2      2.094
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7575 weight  0.10000E+01 volume  0.46800E+00 ppm1      2.094 ppm2      5.626
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2653 weight  0.10000E+01 volume  0.56300E+00 ppm1      2.719 ppm2      4.404
 ASSI (
     (segid "    " and resid "42  " and name "HG1 ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7576 weight  0.10000E+01 volume  0.41000E+00 ppm1      2.723 ppm2      5.626
 ASSI (
     (segid "    " and resid "42  " and name "HG2 ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2648 weight  0.10000E+01 volume  0.42400E+00 ppm1      2.096 ppm2      4.404
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7447 weight  0.10000E+01 volume  0.39800E+00 ppm1      1.977 ppm2      4.911
 ASSI (
     (segid "    " and resid "40  " and name "HB  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      3.300     3.300     0.000 peak  7473 weight  0.10000E+01 volume -0.19970E+01 ppm1      1.973 ppm2      0.833
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7913 weight  0.10000E+01 volume  0.72400E+00 ppm1      2.244 ppm2      4.151
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7843 weight  0.10000E+01 volume  0.36600E+00 ppm1      2.246 ppm2      3.052
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7844 weight  0.10000E+01 volume  0.51000E+00 ppm1      2.455 ppm2      3.052
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7912 weight  0.10000E+01 volume  0.33700E+00 ppm1      2.459 ppm2      4.151
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  7938 weight  0.10000E+01 volume  0.33240E+01 ppm1      2.459 ppm2      2.243
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2205 weight  0.10000E+01 volume -0.15400E+00 ppm1      2.247 ppm2     -0.831
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7978 weight  0.10000E+01 volume -0.11200E+00 ppm1      2.244 ppm2      7.611
 ASSI (
     (segid "    " and resid "55  " and name "HG2 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7847 weight  0.10000E+01 volume  0.11100E+00 ppm1      2.245 ppm2      2.449
 ASSI (
     (segid "    " and resid "55  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7979 weight  0.10000E+01 volume -0.52000E-01 ppm1      2.460 ppm2      7.605
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7389 weight  0.10000E+01 volume  0.47000E+00 ppm1      1.700 ppm2      4.492
 ASSI (
     (segid "    " and resid "39  " and name "HB  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7411 weight  0.10000E+01 volume -0.38500E+00 ppm1      1.702 ppm2      0.681
 ASSI (
     (segid "    " and resid "30  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3468 weight  0.10000E+01 volume  0.46700E+00 ppm1      2.833 ppm2      4.734
 ASSI (
     (segid "    " and resid "30  " and name "HB2 ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3467 weight  0.10000E+01 volume  0.45300E+00 ppm1      2.711 ppm2      4.734
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8437 weight  0.10000E+01 volume  0.24700E+00 ppm1      3.818 ppm2      2.932
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7323 weight  0.10000E+01 volume  0.18870E+01 ppm1      3.822 ppm2      2.992
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6668 weight  0.10000E+01 volume -0.28200E+00 ppm1      2.997 ppm2      4.484
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6669 weight  0.10000E+01 volume -0.55800E+00 ppm1      3.817 ppm2      4.481
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7311 weight  0.10000E+01 volume  0.12700E+01 ppm1      2.993 ppm2      5.035
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6766 weight  0.10000E+01 volume  0.35400E+00 ppm1      3.814 ppm2      2.626
 ASSI (
     (segid "    " and resid "66  " and name "HB1 ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8307 weight  0.10000E+01 volume  0.56900E+00 ppm1      2.690 ppm2      4.528
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8308 weight  0.10000E+01 volume  0.46600E+00 ppm1      2.897 ppm2      4.528
 ASSI (
     (segid "    " and resid "66  " and name "HB2 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8227 weight  0.10000E+01 volume  0.57400E+00 ppm1      2.894 ppm2      4.061
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  6689 weight  0.10000E+01 volume  0.17190E+01 ppm1      3.032 ppm2      2.629
 ASSI (
     (segid "    " and resid "66  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8226 weight  0.10000E+01 volume  0.46900E+00 ppm1      2.685 ppm2      4.061
 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6681 weight  0.10000E+01 volume  0.32400E+00 ppm1      2.627 ppm2      5.062
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3648 weight  0.10000E+01 volume  0.47600E+00 ppm1      3.041 ppm2      5.057
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7809 weight  0.10000E+01 volume  0.88000E-01 ppm1      3.027 ppm2      2.529
 ASSI (
     (segid "    " and resid "12  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7804 weight  0.10000E+01 volume  0.15600E+00 ppm1      3.026 ppm2      3.698
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8231 weight  0.10000E+01 volume -0.24100E+00 ppm1      2.689 ppm2      2.140
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8144 weight  0.10000E+01 volume  0.24390E+01 ppm1      2.691 ppm2      4.306
 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7959 weight  0.10000E+01 volume  0.11590E+01 ppm1      2.695 ppm2      4.450
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8441 weight  0.10000E+01 volume  0.10300E+00 ppm1      1.732 ppm2      2.706
 ASSI (
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6638 weight  0.10000E+01 volume -0.91200E+00 ppm1      1.732 ppm2      4.227
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )
      3.300     3.300     0.000 peak  7182 weight  0.10000E+01 volume -0.23370E+01 ppm1      1.772 ppm2      0.699
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7245 weight  0.10000E+01 volume -0.74600E+00 ppm1      2.113 ppm2      6.711
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3589 weight  0.10000E+01 volume  0.43200E+00 ppm1      2.626 ppm2      5.042
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  3587 weight  0.10000E+01 volume  0.24800E+00 ppm1      2.933 ppm2      5.038
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8275 weight  0.10000E+01 volume  0.15870E+01 ppm1      2.112 ppm2      1.690
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2821 weight  0.10000E+01 volume  0.30500E+00 ppm1      1.777 ppm2      3.775
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6626 weight  0.10000E+01 volume  0.56600E+00 ppm1      2.622 ppm2      4.603
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7147 weight  0.10000E+01 volume -0.18840E+01 ppm1      1.774 ppm2      4.686
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8284 weight  0.10000E+01 volume -0.12140E+01 ppm1      1.686 ppm2      0.824
 ASSI (
     (segid "    " and resid "8   " and name "HB1 ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6627 weight  0.10000E+01 volume  0.75400E+00 ppm1      2.933 ppm2      4.604
 ASSI (
     (segid "    " and resid "25  " and name "HB  ")
 )(
     (segid "    " and resid "25  " and name "HG12")
 )
      5.000     5.000     0.000 peak  7162 weight  0.10000E+01 volume -0.46000E+00 ppm1      1.770 ppm2      0.620
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8255 weight  0.10000E+01 volume  0.85700E+00 ppm1      1.694 ppm2      4.030
 ASSI (
     (segid "    " and resid "8   " and name "HB2 ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  6628 weight  0.10000E+01 volume  0.44870E+01 ppm1      2.622 ppm2      2.932
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8259 weight  0.10000E+01 volume  0.67000E+00 ppm1      2.114 ppm2      4.030
 ASSI (
     (segid "    " and resid "54  " and name "HE2 ")
  OR 
     (segid "    " and resid "54  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7904 weight  0.10000E+01 volume -0.43900E+00 ppm1      2.961 ppm2      1.720
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6848 weight  0.10000E+01 volume -0.26200E+00 ppm1      2.751 ppm2      0.768
 ASSI (
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  6855 weight  0.10000E+01 volume -0.14600E+00 ppm1      2.749 ppm2      0.435
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7901 weight  0.10000E+01 volume  0.11890E+01 ppm1      2.802 ppm2      3.986
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  3079 weight  0.10000E+01 volume -0.68600E+00 ppm1      2.802 ppm2      1.748
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      3.300     3.300     0.000 peak  8133 weight  0.10000E+01 volume -0.15670E+01 ppm1      2.803 ppm2      1.407
 ASSI (
     (segid "    " and resid "7   " and name "HE2 ")
  OR 
     (segid "    " and resid "7   " and name "HE1 ")
 )(
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6762 weight  0.10000E+01 volume -0.84600E+00 ppm1      2.912 ppm2      1.294
 ASSI (
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7950 weight  0.10000E+01 volume  0.41600E+00 ppm1      2.801 ppm2      3.608
 ASSI (
     (segid "    " and resid "7   " and name "HE2 ")
  OR 
     (segid "    " and resid "7   " and name "HE1 ")
 )(
     (segid "    " and resid "7   " and name "HD2 ")
  OR 
     (segid "    " and resid "7   " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8433 weight  0.10000E+01 volume -0.56200E+00 ppm1      2.911 ppm2      1.597
 ASSI (
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HD2 ")
  OR 
     (segid "    " and resid "36  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7349 weight  0.10000E+01 volume -0.87400E+00 ppm1      2.995 ppm2      1.572
 ASSI (
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7345 weight  0.10000E+01 volume -0.10200E+01 ppm1      2.985 ppm2      1.470
 ASSI (
     (segid "    " and resid "36  " and name "HE2 ")
  OR 
     (segid "    " and resid "36  " and name "HE1 ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7335 weight  0.10000E+01 volume  0.15000E+00 ppm1      2.984 ppm2      1.667
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7213 weight  0.10000E+01 volume  0.48000E+00 ppm1      2.825 ppm2      5.903
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7212 weight  0.10000E+01 volume  0.48700E+00 ppm1      2.560 ppm2      5.903
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7228 weight  0.10000E+01 volume  0.17460E+01 ppm1      2.818 ppm2      2.556
 ASSI (
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  7266 weight  0.10000E+01 volume -0.11300E+00 ppm1      2.555 ppm2      6.799
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  3521 weight  0.10000E+01 volume  0.62310E+01 ppm1      1.623 ppm2      1.742
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )
      5.000     5.000     0.000 peak  3297 weight  0.10000E+01 volume -0.60300E+00 ppm1      1.723 ppm2      0.867
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8358 weight  0.10000E+01 volume  0.83800E+00 ppm1      1.737 ppm2      4.315
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8357 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.617 ppm2      4.315
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6837 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.319 ppm2      0.676
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7120 weight  0.10000E+01 volume -0.34900E+00 ppm1      1.317 ppm2      0.993
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7830 weight  0.10000E+01 volume -0.19200E+00 ppm1      2.451 ppm2      1.073
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6890 weight  0.10000E+01 volume  0.40100E+00 ppm1      1.320 ppm2      4.143
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  2228 weight  0.10000E+01 volume -0.18400E+00 ppm1      3.054 ppm2     -0.842
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7896 weight  0.10000E+01 volume  0.27700E+00 ppm1      3.046 ppm2      4.026
 ASSI (
     (segid "    " and resid "19  " and name "HB  ")
 )(
     (segid "    " and resid "19  " and name "HG12")
 )
      5.000     5.000     0.000 peak  6921 weight  0.10000E+01 volume -0.45300E+00 ppm1      1.319 ppm2      0.531
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7850 weight  0.10000E+01 volume  0.27960E+01 ppm1      3.054 ppm2      2.449
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7895 weight  0.10000E+01 volume  0.26100E+00 ppm1      2.450 ppm2      4.048
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  7053 weight  0.10000E+01 volume  0.25630E+01 ppm1      1.715 ppm2      4.247
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2999 weight  0.10000E+01 volume  0.46600E+00 ppm1      2.450 ppm2      4.760
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2998 weight  0.10000E+01 volume  0.43000E+00 ppm1      3.052 ppm2      4.760
 ASSI (
     (segid "    " and resid "52  " and name "HB2 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7930 weight  0.10000E+01 volume  0.38100E+00 ppm1      2.455 ppm2      2.457
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  3360 weight  0.10000E+01 volume -0.19200E+00 ppm1      1.708 ppm2      4.860
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )
      3.300     3.300     0.000 peak  3248 weight  0.10000E+01 volume -0.17610E+01 ppm1      1.705 ppm2      0.819
 ASSI (
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )
      3.300     3.300     0.000 peak  3342 weight  0.10000E+01 volume -0.25110E+01 ppm1      1.706 ppm2      0.880
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7698 weight  0.10000E+01 volume -0.94800E+00 ppm1      3.169 ppm2      1.717
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7705 weight  0.10000E+01 volume -0.71900E+00 ppm1      3.165 ppm2      1.613
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7690 weight  0.10000E+01 volume  0.41700E+00 ppm1      3.168 ppm2      4.413
 ASSI (
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7625 weight  0.10000E+01 volume  0.25400E+00 ppm1      3.185 ppm2      3.776
 ASSI (
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )(
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8324 weight  0.10000E+01 volume -0.27670E+01 ppm1      3.149 ppm2      1.881
 ASSI (
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2853 weight  0.10000E+01 volume  0.65300E+00 ppm1      3.192 ppm2      4.246
 ASSI (
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  7714 weight  0.10000E+01 volume -0.23280E+01 ppm1      3.167 ppm2      1.394
 ASSI (
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7359 weight  0.10000E+01 volume  0.56700E+00 ppm1      3.190 ppm2      4.180
 ASSI (
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  7631 weight  0.10000E+01 volume -0.50940E+01 ppm1      3.198 ppm2      1.578
 ASSI (
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )(
     (segid "    " and resid "67  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8320 weight  0.10000E+01 volume -0.11650E+01 ppm1      3.156 ppm2      1.808
 ASSI (
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8319 weight  0.10000E+01 volume  0.40500E+00 ppm1      3.149 ppm2      4.117
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7750 weight  0.10000E+01 volume  0.22330E+01 ppm1      1.572 ppm2      1.022
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      5.000     5.000     0.000 peak  2881 weight  0.10000E+01 volume -0.37900E+00 ppm1      1.029 ppm2      0.750
 ASSI (
     (segid "    " and resid "48  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7728 weight  0.10000E+01 volume  0.68500E+00 ppm1      1.024 ppm2      5.462
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7729 weight  0.10000E+01 volume  0.54300E+00 ppm1      1.570 ppm2      5.462
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8522 weight  0.10000E+01 volume -0.36300E+00 ppm1      3.101 ppm2      0.248
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7783 weight  0.10000E+01 volume  0.22440E+01 ppm1      2.565 ppm2      3.103
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7513 weight  0.10000E+01 volume  0.24400E+00 ppm1      2.563 ppm2      1.824
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8521 weight  0.10000E+01 volume -0.37400E+00 ppm1      2.565 ppm2      0.248
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7780 weight  0.10000E+01 volume  0.10060E+01 ppm1      3.108 ppm2      4.697
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7779 weight  0.10000E+01 volume  0.63900E+00 ppm1      2.565 ppm2      4.697
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  7111 weight  0.10000E+01 volume -0.42300E+00 ppm1      1.292 ppm2      1.916
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6802 weight  0.10000E+01 volume -0.67400E+00 ppm1      3.099 ppm2      4.298
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      5.000     5.000     0.000 peak  3142 weight  0.10000E+01 volume -0.47900E+00 ppm1      1.290 ppm2      0.821
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  2236 weight  0.10000E+01 volume -0.46400E+00 ppm1      2.166 ppm2      0.804
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7104 weight  0.10000E+01 volume  0.19050E+01 ppm1      2.170 ppm2      1.289
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7118 weight  0.10000E+01 volume -0.10590E+01 ppm1      1.288 ppm2      0.993
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7012 weight  0.10000E+01 volume -0.41000E+00 ppm1      2.167 ppm2      3.672
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6801 weight  0.10000E+01 volume -0.43600E+00 ppm1      2.563 ppm2      4.296
 ASSI (
     (segid "    " and resid "49  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  3941 weight  0.10000E+01 volume -0.12400E+00 ppm1      3.116 ppm2      0.854
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1962 weight  0.10000E+01 volume  0.43300E+00 ppm1      1.293 ppm2      4.677
 ASSI (
     (segid "    " and resid "24  " and name "HB1 ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  1963 weight  0.10000E+01 volume  0.49200E+00 ppm1      2.170 ppm2      4.677
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7498 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.827 ppm2      4.975
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )
      5.000     5.000     0.000 peak  7555 weight  0.10000E+01 volume -0.31100E+00 ppm1      1.490 ppm2      0.753
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7445 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.837 ppm2      4.918
 ASSI (
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  2620 weight  0.10000E+01 volume -0.68000E-01 ppm1      2.562 ppm2      0.853
 ASSI (
     (segid "    " and resid "41  " and name "HB2 ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  2943 weight  0.10000E+01 volume -0.11800E+00 ppm1      1.840 ppm2      1.080
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7007 weight  0.10000E+01 volume -0.14800E+00 ppm1      1.288 ppm2      3.678
 ASSI (
     (segid "    " and resid "41  " and name "HB1 ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7497 weight  0.10000E+01 volume  0.19400E+00 ppm1      1.485 ppm2      4.975
 ASSI (
     (segid "    " and resid "35  " and name "HA1 ")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      2.700     2.700     0.000 peak  7328 weight  0.10000E+01 volume  0.47410E+01 ppm1      4.283 ppm2      3.658
 ASSI (
     (segid "    " and resid "4   " and name "HA2 ")
 )(
     (segid "    " and resid "4   " and name "HA1 ")
 )
      2.700     2.700     0.000 peak  8423 weight  0.10000E+01 volume  0.39761E+02 ppm1      3.905 ppm2      3.975
 ASSI (
     (segid "    " and resid "35  " and name "HA1 ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3795 weight  0.10000E+01 volume -0.38300E+00 ppm1      4.287 ppm2      4.485
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7798 weight  0.10000E+01 volume  0.80500E+00 ppm1      2.532 ppm2      5.123
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6690 weight  0.10000E+01 volume  0.30500E+00 ppm1      3.729 ppm2      2.639
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6688 weight  0.10000E+01 volume  0.41000E+00 ppm1      2.528 ppm2      2.634
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  7810 weight  0.10000E+01 volume  0.30290E+01 ppm1      3.728 ppm2      2.529
 ASSI (
     (segid "    " and resid "50  " and name "HB1 ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  6742 weight  0.10000E+01 volume -0.24400E+00 ppm1      2.533 ppm2      1.914
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      6.000     6.000     0.000 peak  7490 weight  0.10000E+01 volume -0.11700E+00 ppm1      3.723 ppm2      0.747
 ASSI (
     (segid "    " and resid "50  " and name "HB2 ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7799 weight  0.10000E+01 volume  0.74300E+00 ppm1      3.726 ppm2      5.120
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8478 weight  0.10000E+01 volume -0.45200E+00 ppm1      4.055 ppm2      3.904
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  7887 weight  0.10000E+01 volume -0.18050E+01 ppm1      4.053 ppm2      1.800
 ASSI (
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  3386 weight  0.10000E+01 volume  0.82800E+00 ppm1      4.051 ppm2      4.635
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  3001 weight  0.10000E+01 volume  0.22360E+01 ppm1      4.048 ppm2      4.760
 ASSI (
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "39  " and name "HG12")
 )
      5.000     5.000     0.000 peak  7439 weight  0.10000E+01 volume -0.49600E+00 ppm1      4.048 ppm2      1.267
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  6894 weight  0.10000E+01 volume  0.17290E+01 ppm1      3.442 ppm2      4.143
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  6895 weight  0.10000E+01 volume  0.22230E+01 ppm1      3.601 ppm2      4.143
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "23  " and name "HD13")
  OR 
     (segid "    " and resid "23  " and name "HD12")
  OR 
     (segid "    " and resid "23  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7065 weight  0.10000E+01 volume -0.42500E+00 ppm1      3.601 ppm2      0.878
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6970 weight  0.10000E+01 volume -0.42400E+00 ppm1      3.596 ppm2      2.268
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "20  " and name "HD2 ")
 )
      2.700     2.700     0.000 peak  2352 weight  0.10000E+01 volume  0.45780E+01 ppm1      3.601 ppm2      3.444
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      6.000     6.000     0.000 peak  6915 weight  0.10000E+01 volume -0.65000E-01 ppm1      3.441 ppm2      1.486
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7076 weight  0.10000E+01 volume  0.15800E+00 ppm1      3.432 ppm2      1.704
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      6.000     6.000     0.000 peak  6916 weight  0.10000E+01 volume -0.11000E+00 ppm1      3.592 ppm2      1.469
 ASSI (
     (segid "    " and resid "20  " and name "HD2 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6957 weight  0.10000E+01 volume -0.61000E-01 ppm1      3.443 ppm2      4.125
 ASSI (
     (segid "    " and resid "20  " and name "HD1 ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6958 weight  0.10000E+01 volume -0.66000E-01 ppm1      3.599 ppm2      4.125
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7577 weight  0.10000E+01 volume  0.11450E+01 ppm1      5.465 ppm2      5.626
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      3.300     3.300     0.000 peak  7777 weight  0.10000E+01 volume -0.19000E+01 ppm1      5.466 ppm2      0.685
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7766 weight  0.10000E+01 volume -0.36100E+00 ppm1      5.463 ppm2      0.747
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7320 weight  0.10000E+01 volume  0.15350E+01 ppm1      5.042 ppm2      3.819
 ASSI (
     (segid "    " and resid "71  " and name "HA  ")
  OR 
     (segid "    " and resid "70  " and name "HA  ")
 )(
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8372 weight  0.10000E+01 volume -0.40800E+00 ppm1      4.219 ppm2      1.187
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7615 weight  0.10000E+01 volume -0.43400E+00 ppm1      5.624 ppm2      1.355
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8550 weight  0.10000E+01 volume -0.76500E+00 ppm1      4.248 ppm2      1.621
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7706 weight  0.10000E+01 volume -0.16400E+01 ppm1      4.414 ppm2      1.613
 ASSI (
     (segid "    " and resid "9   " and name "HA  ")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  6633 weight  0.10000E+01 volume  0.33120E+01 ppm1      4.454 ppm2      2.714
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8250 weight  0.10000E+01 volume -0.83700E+00 ppm1      4.006 ppm2      3.321
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8039 weight  0.10000E+01 volume -0.78000E-01 ppm1      4.006 ppm2      2.545
 ASSI (
     (segid "    " and resid "45  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8397 weight  0.10000E+01 volume -0.18100E+00 ppm1      4.266 ppm2      7.180
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7504 weight  0.10000E+01 volume  0.55500E+00 ppm1      5.909 ppm2      4.975
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7951 weight  0.10000E+01 volume  0.19000E+00 ppm1      4.150 ppm2      3.602
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7923 weight  0.10000E+01 volume -0.10040E+01 ppm1      4.151 ppm2      1.787
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  6750 weight  0.10000E+01 volume -0.74000E-01 ppm1      4.045 ppm2      1.913
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7954 weight  0.10000E+01 volume -0.34600E+00 ppm1      4.150 ppm2      2.259
 ASSI (
     (segid "    " and resid "36  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7346 weight  0.10000E+01 volume -0.79400E+00 ppm1      4.054 ppm2      1.470
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7681 weight  0.10000E+01 volume -0.15360E+01 ppm1      4.408 ppm2      3.329
 ASSI (
     (segid "    " and resid "54  " and name "HA  ")
 )(
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7905 weight  0.10000E+01 volume -0.29490E+01 ppm1      3.991 ppm2      1.720
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6841 weight  0.10000E+01 volume  0.23700E+00 ppm1      4.140 ppm2      0.668
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8344 weight  0.10000E+01 volume  0.14210E+01 ppm1      4.095 ppm2      2.322
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  7407 weight  0.10000E+01 volume -0.16410E+01 ppm1      4.494 ppm2      0.717
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  6876 weight  0.10000E+01 volume -0.15000E+00 ppm1      0.677 ppm2      1.273
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      3.300     3.300     0.000 peak  7425 weight  0.10000E+01 volume -0.28780E+01 ppm1      4.491 ppm2      0.692
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6846 weight  0.10000E+01 volume -0.88100E+00 ppm1      0.676 ppm2      0.772
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6860 weight  0.10000E+01 volume -0.58400E+00 ppm1      0.677 ppm2      0.375
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      6.000     6.000     0.000 peak  7460 weight  0.10000E+01 volume -0.28300E+00 ppm1      4.487 ppm2      1.377
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      6.000     6.000     0.000 peak  6912 weight  0.10000E+01 volume -0.60000E-01 ppm1      0.683 ppm2      1.472
 ASSI (
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  6825 weight  0.10000E+01 volume -0.75000E-01 ppm1      0.676 ppm2      3.814
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7953 weight  0.10000E+01 volume -0.16950E+01 ppm1      3.610 ppm2      2.259
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8125 weight  0.10000E+01 volume -0.44300E+00 ppm1      3.608 ppm2      1.549
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7957 weight  0.10000E+01 volume -0.19750E+01 ppm1      3.612 ppm2      2.135
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  8233 weight  0.10000E+01 volume -0.35210E+01 ppm1      4.056 ppm2      2.131
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  7308 weight  0.10000E+01 volume -0.42090E+01 ppm1      4.357 ppm2      3.985
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  7310 weight  0.10000E+01 volume -0.37270E+01 ppm1      4.352 ppm2      3.899
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7248 weight  0.10000E+01 volume -0.40800E+00 ppm1      3.362 ppm2      6.711
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  8219 weight  0.10000E+01 volume -0.11400E+00 ppm1      3.360 ppm2      1.765
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8234 weight  0.10000E+01 volume -0.26600E+00 ppm1      4.196 ppm2      2.131
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8251 weight  0.10000E+01 volume -0.12880E+01 ppm1      4.199 ppm2      3.323
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8171 weight  0.10000E+01 volume -0.10600E+00 ppm1      3.354 ppm2      1.407
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  3077 weight  0.10000E+01 volume  0.22960E+01 ppm1      3.783 ppm2      1.755
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7603 weight  0.10000E+01 volume  0.83900E+00 ppm1      5.448 ppm2      4.860
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7634 weight  0.10000E+01 volume  0.15500E+00 ppm1      5.441 ppm2      1.594
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  8135 weight  0.10000E+01 volume  0.38700E+00 ppm1      3.788 ppm2      1.407
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      3.300     3.300     0.000 peak  8220 weight  0.10000E+01 volume  0.20190E+01 ppm1      3.794 ppm2      1.753
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8126 weight  0.10000E+01 volume  0.31200E+00 ppm1      3.786 ppm2      1.549
 ASSI (
     (segid "    " and resid "43  " and name "HA  ")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8558 weight  0.10000E+01 volume -0.22300E+00 ppm1      5.445 ppm2      1.289
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8181 weight  0.10000E+01 volume -0.17800E+00 ppm1      3.788 ppm2      1.857
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      5.000     5.000     0.000 peak  6665 weight  0.10000E+01 volume  0.51400E+00 ppm1      4.227 ppm2      0.752
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      3.300     3.300     0.000 peak  6678 weight  0.10000E+01 volume  0.22650E+01 ppm1      4.482 ppm2      1.012
 ASSI (
     (segid "    " and resid "11  " and name "HA  ")
 )(
     (segid "    " and resid "11  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  6673 weight  0.10000E+01 volume  0.74400E+00 ppm1      4.487 ppm2      3.907
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  6999 weight  0.10000E+01 volume  0.32100E+00 ppm1      4.121 ppm2      1.806
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7013 weight  0.10000E+01 volume  0.27700E+00 ppm1      4.126 ppm2      3.677
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  6990 weight  0.10000E+01 volume  0.38800E+00 ppm1      4.119 ppm2      1.978
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7424 weight  0.10000E+01 volume  0.47600E+00 ppm1      3.907 ppm2      0.669
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  8221 weight  0.10000E+01 volume  0.34800E+00 ppm1      3.910 ppm2      1.752
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7869 weight  0.10000E+01 volume  0.24850E+01 ppm1      3.915 ppm2      2.007
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7876 weight  0.10000E+01 volume  0.18290E+01 ppm1      3.913 ppm2      1.885
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7438 weight  0.10000E+01 volume  0.31900E+00 ppm1      3.907 ppm2      1.267
 ASSI (
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  6692 weight  0.10000E+01 volume -0.24600E+01 ppm1      3.834 ppm2      4.375
 ASSI (
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "16  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6798 weight  0.10000E+01 volume  0.18900E+00 ppm1      3.812 ppm2      4.475
 ASSI (
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  6823 weight  0.10000E+01 volume -0.22270E+01 ppm1      3.817 ppm2      4.548
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  2619 weight  0.10000E+01 volume  0.11200E+00 ppm1      2.564 ppm2      0.847
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8166 weight  0.10000E+01 volume  0.15020E+01 ppm1      2.563 ppm2      1.422
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8524 weight  0.10000E+01 volume  0.30800E+00 ppm1      4.294 ppm2      0.248
 ASSI (
     (segid "    " and resid "16  " and name "HB  ")
 )(
     (segid "    " and resid "16  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6799 weight  0.10000E+01 volume  0.14240E+01 ppm1      4.300 ppm2      4.475
 ASSI (
     (segid "    " and resid "11  " and name "HB  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      3.300     3.300     0.000 peak  6676 weight  0.10000E+01 volume  0.15170E+01 ppm1      3.907 ppm2      1.012
 ASSI (
     (segid "    " and resid "11  " and name "HB  ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6639 weight  0.10000E+01 volume  0.10400E+00 ppm1      3.906 ppm2      4.227
 ASSI (
     (segid "    " and resid "6   " and name "HB  ")
 )(
     (segid "    " and resid "6   " and name "HA  ")
 )
      3.300     3.300     0.000 peak  6621 weight  0.10000E+01 volume  0.23500E+01 ppm1      4.056 ppm2      4.272
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8593 weight  0.10000E+01 volume  0.25800E+00 ppm1      0.667 ppm2      1.992
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8591 weight  0.10000E+01 volume  0.12100E+00 ppm1      0.670 ppm2      2.170
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7233 weight  0.10000E+01 volume  0.25300E+00 ppm1      0.670 ppm2      6.711
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  7888 weight  0.10000E+01 volume -0.10100E+00 ppm1      0.666 ppm2      4.037
 ASSI (
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8586 weight  0.10000E+01 volume -0.84400E+00 ppm1      0.669 ppm2      4.509
 ASSI (
     (segid "    " and resid "29  " and name "HE21")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8711 weight  0.10000E+01 volume  0.69000E-01 ppm1      7.622 ppm2      1.987
 ASSI (
     (segid "    " and resid "29  " and name "HE21")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8702 weight  0.10000E+01 volume  0.20700E+00 ppm1      7.623 ppm2      0.660
 ASSI (
     (segid "    " and resid "29  " and name "HE21")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8714 weight  0.10000E+01 volume  0.48000E-01 ppm1      7.622 ppm2      2.165
 ASSI (
     (segid "    " and resid "29  " and name "HE21")
 )(
     (segid "    " and resid "29  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8682 weight  0.10000E+01 volume  0.10081E+02 ppm1      7.622 ppm2      6.701
 ASSI (
     (segid "    " and resid "29  " and name "HE21")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8684 weight  0.10000E+01 volume  0.72200E+00 ppm1      7.624 ppm2      2.458
 ASSI (
     (segid "    " and resid "29  " and name "HE21")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  8707 weight  0.10000E+01 volume  0.97000E-01 ppm1      7.624 ppm2      1.727
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8748 weight  0.10000E+01 volume  0.14500E+00 ppm1      6.780 ppm2      4.472
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8720 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.304 ppm2      4.167
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8746 weight  0.10000E+01 volume  0.19600E+00 ppm1      6.780 ppm2      4.170
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8704 weight  0.10000E+01 volume  0.75700E+00 ppm1      7.300 ppm2      2.821
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8742 weight  0.10000E+01 volume  0.24500E+00 ppm1      6.780 ppm2      3.809
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8718 weight  0.10000E+01 volume  0.23000E+00 ppm1      7.299 ppm2      0.727
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8737 weight  0.10000E+01 volume  0.64200E+00 ppm1      6.779 ppm2      2.998
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8740 weight  0.10000E+01 volume  0.36100E+00 ppm1      6.780 ppm2      2.673
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
  OR 
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8708 weight  0.10000E+01 volume  0.59300E+00 ppm1      7.300 ppm2      2.997
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8717 weight  0.10000E+01 volume  0.22900E+00 ppm1      7.301 ppm2      3.813
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      2.700     2.700     0.000 peak  8701 weight  0.10000E+01 volume  0.40000E+01 ppm1      7.301 ppm2      6.759
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8710 weight  0.10000E+01 volume  0.36800E+00 ppm1      7.301 ppm2      1.356
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8709 weight  0.10000E+01 volume  0.70600E+00 ppm1      7.302 ppm2      2.677
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8738 weight  0.10000E+01 volume  0.55400E+00 ppm1      6.780 ppm2      2.821
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8725 weight  0.10000E+01 volume  0.12300E+00 ppm1      7.303 ppm2      4.731
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
 )
      6.000     6.000     0.000 peak  8744 weight  0.10000E+01 volume  0.21000E+00 ppm1      6.780 ppm2      0.724
 ASSI (
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8721 weight  0.10000E+01 volume  0.12900E+00 ppm1      7.305 ppm2      4.482
 ASSI (
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
  OR 
     (segid "    " and resid "36  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8739 weight  0.10000E+01 volume  0.28400E+00 ppm1      6.780 ppm2      1.357
 ASSI (
     (segid "    " and resid "68  " and name "HE22")
  OR 
     (segid "    " and resid "63  " and name "HE22")
 )(
     (segid "    " and resid "68  " and name "HB1 ")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8789 weight  0.10000E+01 volume  0.87000E-01 ppm1      6.860 ppm2      2.127
 ASSI (
     (segid "    " and resid "68  " and name "HE22")
  OR 
     (segid "    " and resid "63  " and name "HE22")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
  OR 
     (segid "    " and resid "63  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8785 weight  0.10000E+01 volume  0.14200E+00 ppm1      6.857 ppm2      2.303
 ASSI (
     (segid "    " and resid "63  " and name "HE21")
 )(
     (segid "    " and resid "63  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8761 weight  0.10000E+01 volume  0.39000E+00 ppm1      7.449 ppm2      2.492
 ASSI (
     (segid "    " and resid "63  " and name "HE22")
 )(
     (segid "    " and resid "63  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8783 weight  0.10000E+01 volume  0.17400E+00 ppm1      6.857 ppm2      2.491
 ASSI (
     (segid "    " and resid "63  " and name "HE21")
 )(
     (segid "    " and resid "63  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8723 weight  0.10000E+01 volume  0.13082E+02 ppm1      7.450 ppm2      6.837
 ASSI (
     (segid "    " and resid "63  " and name "HE21")
 )(
     (segid "    " and resid "63  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8764 weight  0.10000E+01 volume  0.13800E+00 ppm1      7.450 ppm2      2.304
 ASSI (
     (segid "    " and resid "63  " and name "HE21")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8768 weight  0.10000E+01 volume  0.70000E-01 ppm1      7.450 ppm2      2.120
 ASSI (
     (segid "    " and resid "9   " and name "HD22")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      6.000     6.000     0.000 peak  8802 weight  0.10000E+01 volume  0.21400E+00 ppm1      6.859 ppm2      0.715
 ASSI (
     (segid "    " and resid "9   " and name "HD21")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8864 weight  0.10000E+01 volume  0.33300E+00 ppm1      7.591 ppm2      0.708
 ASSI (
     (segid "    " and resid "9   " and name "HD22")
 )(
     (segid "    " and resid "9   " and name "HD21")
 )
      2.700     2.700     0.000 peak  8759 weight  0.10000E+01 volume  0.15407E+02 ppm1      6.862 ppm2      7.574
 ASSI (
     (segid "    " and resid "9   " and name "HD22")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8801 weight  0.10000E+01 volume  0.10400E+00 ppm1      6.862 ppm2      1.969
 ASSI (
     (segid "    " and resid "45  " and name "HE21")
  OR 
     (segid "    " and resid "9   " and name "HD21")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
  OR 
     (segid "    " and resid "10  " and name "HG12")
 )
      6.000     6.000     0.000 peak  8867 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.591 ppm2      0.819
 ASSI (
     (segid "    " and resid "1   " and name "HE22")
 )(
     (segid "    " and resid "1   " and name "HG2 ")
  OR 
     (segid "    " and resid "1   " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8798 weight  0.10000E+01 volume  0.10800E+00 ppm1      6.859 ppm2      2.294
 ASSI (
     (segid "    " and resid "9   " and name "HD21")
 )(
     (segid "    " and resid "40  " and name "HB  ")
  OR 
     (segid "    " and resid "31  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8856 weight  0.10000E+01 volume  0.22800E+00 ppm1      7.591 ppm2      1.972
 ASSI (
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8852 weight  0.10000E+01 volume  0.68400E+00 ppm1      7.592 ppm2      2.141
 ASSI (
     (segid "    " and resid "28  " and name "HE22")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8797 weight  0.10000E+01 volume  0.34200E+00 ppm1      6.860 ppm2      2.143
 ASSI (
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8854 weight  0.10000E+01 volume  0.45800E+00 ppm1      7.590 ppm2      2.298
 ASSI (
     (segid "    " and resid "45  " and name "HE21")
 )(
     (segid "    " and resid "45  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8860 weight  0.10000E+01 volume  0.23200E+00 ppm1      7.590 ppm2      2.418
 ASSI (
     (segid "    " and resid "45  " and name "HE21")
  OR 
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
  OR 
     (segid "    " and resid "42  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8859 weight  0.10000E+01 volume  0.13300E+00 ppm1      7.587 ppm2      1.771
 ASSI (
     (segid "    " and resid "1   " and name "HE21")
 )(
     (segid "    " and resid "1   " and name "HE22")
 )
      2.700     2.700     0.000 peak  8871 weight  0.10000E+01 volume  0.10162E+02 ppm1      7.508 ppm2      6.840
 ASSI (
     (segid "    " and resid "28  " and name "HE22")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "48  " and name "HD13")
 )
      5.000     5.000     0.000 peak  8808 weight  0.10000E+01 volume  0.33100E+00 ppm1      6.858 ppm2      0.720
 ASSI (
     (segid "    " and resid "28  " and name "HE22")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8806 weight  0.10000E+01 volume  0.69700E+00 ppm1      6.858 ppm2      2.699
 ASSI (
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8878 weight  0.10000E+01 volume  0.11710E+01 ppm1      7.587 ppm2      2.698
 ASSI (
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "28  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8803 weight  0.10000E+01 volume  0.15605E+02 ppm1      7.586 ppm2      6.838
 ASSI (
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8879 weight  0.10000E+01 volume  0.34100E+00 ppm1      7.586 ppm2      0.721
 ASSI (
     (segid "    " and resid "28  " and name "HE21")
 )(
     (segid "    " and resid "46  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8881 weight  0.10000E+01 volume  0.14300E+00 ppm1      7.587 ppm2      4.437
 ASSI (
     (segid "    " and resid "28  " and name "HE22")
 )(
     (segid "    " and resid "28  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8814 weight  0.10000E+01 volume  0.10900E+00 ppm1      6.856 ppm2      4.439
 ASSI (
     (segid "    " and resid "75  " and name "HD22")
  OR 
     (segid "    " and resid "31  " and name "HE22")
 )(
     (segid "    " and resid "75  " and name "HD21")
  OR 
     (segid "    " and resid "31  " and name "HE21")
 )
      2.700     2.700     0.000 peak  8818 weight  0.10000E+01 volume  0.19081E+02 ppm1      6.871 ppm2      7.574
 ASSI (
     (segid "    " and resid "75  " and name "HD22")
 )(
     (segid "    " and resid "75  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8830 weight  0.10000E+01 volume  0.79000E-01 ppm1      6.879 ppm2      2.655
 ASSI (
     (segid "    " and resid "31  " and name "HE22")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8820 weight  0.10000E+01 volume  0.37800E+00 ppm1      6.891 ppm2      2.441
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5016 weight  0.10000E+01 volume  0.34500E+00 ppm1      7.677 ppm2      5.437
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
  OR 
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      3.300     3.300     0.000 peak  5019 weight  0.10000E+01 volume  0.22390E+01 ppm1      7.696 ppm2      0.776
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5024 weight  0.10000E+01 volume  0.11850E+01 ppm1      7.698 ppm2      1.709
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  5017 weight  0.10000E+01 volume  0.19200E+01 ppm1      7.698 ppm2      1.908
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5020 weight  0.10000E+01 volume  0.17730E+01 ppm1      7.697 ppm2      2.152
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5436 weight  0.10000E+01 volume  0.16300E+00 ppm1      8.133 ppm2      1.409
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5435 weight  0.10000E+01 volume  0.23600E+00 ppm1      8.133 ppm2      4.300
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HE22")
  OR 
     (segid "    " and resid "63  " and name "HE22")
 )
      6.000     6.000     0.000 peak  5434 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.134 ppm2      6.890
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5437 weight  0.10000E+01 volume  0.12100E+00 ppm1      8.134 ppm2      2.497
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5433 weight  0.10000E+01 volume  0.15500E+00 ppm1      8.132 ppm2      8.899
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5439 weight  0.10000E+01 volume  0.11200E+00 ppm1      8.133 ppm2      1.691
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB1 ")
  OR 
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5438 weight  0.10000E+01 volume  0.83000E-01 ppm1      8.130 ppm2      2.676
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5428 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.132 ppm2      1.859
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5427 weight  0.10000E+01 volume  0.10840E+01 ppm1      8.132 ppm2      4.014
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  5419 weight  0.10000E+01 volume  0.30580E+01 ppm1      8.131 ppm2      3.300
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5431 weight  0.10000E+01 volume  0.21800E+00 ppm1      8.131 ppm2      2.294
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5424 weight  0.10000E+01 volume  0.11880E+01 ppm1      8.131 ppm2      7.682
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5426 weight  0.10000E+01 volume  0.11680E+01 ppm1      8.132 ppm2      8.518
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5423 weight  0.10000E+01 volume  0.15880E+01 ppm1      8.132 ppm2      2.120
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5429 weight  0.10000E+01 volume  0.35200E+00 ppm1      8.131 ppm2      0.773
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5474 weight  0.10000E+01 volume  0.15000E+00 ppm1      7.945 ppm2      1.437
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5468 weight  0.10000E+01 volume  0.71900E+00 ppm1      7.945 ppm2      1.620
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5472 weight  0.10000E+01 volume  0.32100E+00 ppm1      7.945 ppm2      2.083
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
  OR 
     (segid "    " and resid "63  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5475 weight  0.10000E+01 volume  0.12900E+00 ppm1      7.942 ppm2      2.283
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5469 weight  0.10000E+01 volume  0.50200E+00 ppm1      7.942 ppm2      4.517
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5473 weight  0.10000E+01 volume  0.12200E+00 ppm1      7.947 ppm2      8.523
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  5459 weight  0.10000E+01 volume  0.30250E+01 ppm1      7.945 ppm2      1.858
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5467 weight  0.10000E+01 volume  0.74000E+00 ppm1      7.945 ppm2      2.670
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5466 weight  0.10000E+01 volume  0.85100E+00 ppm1      7.942 ppm2      2.882
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5464 weight  0.10000E+01 volume  0.18640E+01 ppm1      7.942 ppm2      4.090
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5470 weight  0.10000E+01 volume  0.27300E+00 ppm1      7.942 ppm2      3.127
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
  OR 
     (segid "    " and resid "64  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5478 weight  0.10000E+01 volume  0.83000E-01 ppm1      7.942 ppm2      3.323
 ASSI (
     (segid "    " and resid "67  " and name "HE  ")
 )(
     (segid "    " and resid "67  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5626 weight  0.10000E+01 volume  0.22400E+00 ppm1      7.236 ppm2      1.625
 ASSI (
     (segid "    " and resid "67  " and name "HE  ")
 )(
     (segid "    " and resid "67  " and name "HG1 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5624 weight  0.10000E+01 volume  0.19400E+00 ppm1      7.235 ppm2      1.832
 ASSI (
     (segid "    " and resid "67  " and name "HE  ")
  OR 
     (segid "    " and resid "37  " and name "HE  ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  5616 weight  0.10000E+01 volume  0.82000E+00 ppm1      7.231 ppm2      3.148
 ASSI (
     (segid "    " and resid "67  " and name "HE  ")
  OR 
     (segid "    " and resid "37  " and name "HE  ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
  OR 
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5627 weight  0.10000E+01 volume  0.99000E-01 ppm1      7.229 ppm2      4.143
 ASSI (
     (segid "    " and resid "67  " and name "HE  ")
  OR 
     (segid "    " and resid "37  " and name "HE  ")
 )(
     (segid "    " and resid "67  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5625 weight  0.10000E+01 volume  0.26700E+00 ppm1      7.224 ppm2      1.680
 ASSI (
     (segid "    " and resid "2   " and name "HN  ")
 )(
     (segid "    " and resid "1   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5168 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.689 ppm2      4.280
 ASSI (
     (segid "    " and resid "4   " and name "HN  ")
 )(
     (segid "    " and resid "4   " and name "HA2 ")
  OR 
     (segid "    " and resid "4   " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  5263 weight  0.10000E+01 volume  0.34700E+00 ppm1      8.505 ppm2      3.954
 ASSI (
     (segid "    " and resid "4   " and name "HN  ")
 )(
     (segid "    " and resid "4   " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  5262 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.506 ppm2      3.894
 ASSI (
     (segid "    " and resid "5   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
  OR 
     (segid "    " and resid "5   " and name "HG11")
 )
      5.000     5.000     0.000 peak  5106 weight  0.10000E+01 volume  0.10180E+01 ppm1      8.148 ppm2      0.866
 ASSI (
     (segid "    " and resid "5   " and name "HN  ")
 )(
     (segid "    " and resid "4   " and name "HA1 ")
 )
      3.300     3.300     0.000 peak  5103 weight  0.10000E+01 volume  0.19320E+01 ppm1      8.148 ppm2      3.957
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "4   " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  5133 weight  0.10000E+01 volume  0.65000E-01 ppm1      8.338 ppm2      3.861
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5123 weight  0.10000E+01 volume  0.40470E+01 ppm1      8.335 ppm2      4.153
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )
      5.000     5.000     0.000 peak  5127 weight  0.10000E+01 volume  0.42400E+00 ppm1      8.335 ppm2      1.092
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
  OR 
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
 )
      5.000     5.000     0.000 peak  5128 weight  0.10000E+01 volume  0.45000E+00 ppm1      8.336 ppm2      0.871
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5129 weight  0.10000E+01 volume  0.37700E+00 ppm1      8.335 ppm2      2.017
 ASSI (
     (segid "    " and resid "6   " and name "HN  ")
 )(
     (segid "    " and resid "6   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5125 weight  0.10000E+01 volume  0.10310E+01 ppm1      8.336 ppm2      4.026
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4723 weight  0.10000E+01 volume  0.89000E-01 ppm1      8.399 ppm2      9.101
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HG23")
  OR 
     (segid "    " and resid "5   " and name "HG22")
  OR 
     (segid "    " and resid "5   " and name "HG21")
  OR 
     (segid "    " and resid "5   " and name "HG13")
  OR 
     (segid "    " and resid "5   " and name "HG12")
 )
      6.000     6.000     0.000 peak  4724 weight  0.10000E+01 volume  0.62000E-01 ppm1      8.397 ppm2      0.882
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )
      5.000     5.000     0.000 peak  4718 weight  0.10000E+01 volume  0.38300E+00 ppm1      8.398 ppm2      1.094
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4719 weight  0.10000E+01 volume  0.44900E+00 ppm1      8.398 ppm2      1.287
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "6   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4717 weight  0.10000E+01 volume  0.53900E+00 ppm1      8.399 ppm2      4.046
 ASSI (
     (segid "    " and resid "7   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4716 weight  0.10000E+01 volume  0.14390E+01 ppm1      8.398 ppm2      1.664
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "6   " and name "HG23")
  OR 
     (segid "    " and resid "6   " and name "HG22")
  OR 
     (segid "    " and resid "6   " and name "HG21")
 )
      6.000     6.000     0.000 peak  5305 weight  0.10000E+01 volume  0.92000E-01 ppm1      8.485 ppm2      1.087
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HB2 ")
  OR 
     (segid "    " and resid "7   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5299 weight  0.10000E+01 volume  0.48200E+00 ppm1      8.481 ppm2      1.696
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5297 weight  0.10000E+01 volume  0.11430E+01 ppm1      8.482 ppm2      2.916
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5283 weight  0.10000E+01 volume  0.41330E+01 ppm1      8.482 ppm2      4.236
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5304 weight  0.10000E+01 volume  0.14100E+00 ppm1      8.481 ppm2      4.418
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5296 weight  0.10000E+01 volume  0.15730E+01 ppm1      8.482 ppm2      2.610
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5301 weight  0.10000E+01 volume  0.27900E+00 ppm1      8.482 ppm2      9.132
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5202 weight  0.10000E+01 volume  0.40000E+00 ppm1      8.484 ppm2      1.292
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HD22")
 )
      6.000     6.000     0.000 peak  4578 weight  0.10000E+01 volume  0.11000E+00 ppm1      9.151 ppm2      6.858
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4572 weight  0.10000E+01 volume  0.11360E+01 ppm1      9.150 ppm2      2.700
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4575 weight  0.10000E+01 volume  0.34400E+00 ppm1      9.150 ppm2      2.914
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4570 weight  0.10000E+01 volume  0.18390E+01 ppm1      9.149 ppm2      4.599
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4576 weight  0.10000E+01 volume  0.17700E+00 ppm1      9.148 ppm2      0.717
 ASSI (
     (segid "    " and resid "9   " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
  OR 
     (segid "    " and resid "7   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4580 weight  0.10000E+01 volume  0.95000E-01 ppm1      9.149 ppm2      4.233
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4897 weight  0.10000E+01 volume  0.80000E-01 ppm1      7.688 ppm2      1.010
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4898 weight  0.10000E+01 volume  0.10000E+00 ppm1      7.689 ppm2      8.460
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4890 weight  0.10000E+01 volume  0.58100E+00 ppm1      7.691 ppm2      4.599
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4885 weight  0.10000E+01 volume  0.11300E+01 ppm1      7.691 ppm2      2.698
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4889 weight  0.10000E+01 volume  0.77700E+00 ppm1      7.692 ppm2      1.721
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG12")
 )
      5.000     5.000     0.000 peak  4892 weight  0.10000E+01 volume  0.41800E+00 ppm1      7.691 ppm2      0.818
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4888 weight  0.10000E+01 volume  0.97000E+00 ppm1      7.692 ppm2      2.916
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4883 weight  0.10000E+01 volume  0.19040E+01 ppm1      7.692 ppm2      9.132
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4884 weight  0.10000E+01 volume  0.21040E+01 ppm1      7.691 ppm2      0.706
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4893 weight  0.10000E+01 volume  0.26800E+00 ppm1      7.692 ppm2      1.441
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "9   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4887 weight  0.10000E+01 volume  0.85100E+00 ppm1      7.692 ppm2      4.438
 ASSI (
     (segid "    " and resid "10  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4891 weight  0.10000E+01 volume  0.33300E+00 ppm1      7.690 ppm2      8.182
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG12")
 )
      5.000     5.000     0.000 peak  5117 weight  0.10000E+01 volume  0.11480E+01 ppm1      8.206 ppm2      0.813
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5114 weight  0.10000E+01 volume  0.14450E+01 ppm1      8.205 ppm2      3.887
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5120 weight  0.10000E+01 volume  0.54500E+00 ppm1      8.206 ppm2      0.995
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5113 weight  0.10000E+01 volume  0.34420E+01 ppm1      8.206 ppm2      4.211
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5116 weight  0.10000E+01 volume  0.10560E+01 ppm1      8.206 ppm2      0.721
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5115 weight  0.10000E+01 volume  0.12440E+01 ppm1      8.205 ppm2      1.440
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5118 weight  0.10000E+01 volume  0.66100E+00 ppm1      8.206 ppm2      1.721
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "36  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5583 weight  0.10000E+01 volume  0.20200E+00 ppm1      8.193 ppm2      1.357
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  5579 weight  0.10000E+01 volume  0.41700E+00 ppm1      8.200 ppm2      3.644
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5572 weight  0.10000E+01 volume  0.93500E+00 ppm1      8.199 ppm2      0.993
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5580 weight  0.10000E+01 volume  0.23600E+00 ppm1      8.200 ppm2      7.281
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5576 weight  0.10000E+01 volume  0.86700E+00 ppm1      8.199 ppm2      2.610
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5577 weight  0.10000E+01 volume  0.59000E+00 ppm1      8.201 ppm2      3.875
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5524 weight  0.10000E+01 volume  0.34310E+01 ppm1      8.201 ppm2      4.472
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      5.000     5.000     0.000 peak  5578 weight  0.10000E+01 volume  0.34700E+00 ppm1      8.198 ppm2      6.758
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5573 weight  0.10000E+01 volume  0.11640E+01 ppm1      8.199 ppm2      3.016
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
 )
      6.000     6.000     0.000 peak  5582 weight  0.10000E+01 volume  0.19500E+00 ppm1      8.202 ppm2      0.719
 ASSI (
     (segid "    " and resid "13  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5201 weight  0.10000E+01 volume  0.62400E+00 ppm1      9.320 ppm2      5.048
 ASSI (
     (segid "    " and resid "13  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5204 weight  0.10000E+01 volume  0.20500E+00 ppm1      9.321 ppm2      3.817
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5548 weight  0.10000E+01 volume  0.40000E+00 ppm1      8.100 ppm2      4.353
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5546 weight  0.10000E+01 volume  0.50900E+00 ppm1      8.098 ppm2      1.404
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5549 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.099 ppm2      5.048
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5543 weight  0.10000E+01 volume  0.11930E+01 ppm1      8.099 ppm2      1.788
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5550 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.100 ppm2      8.805
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5547 weight  0.10000E+01 volume  0.42700E+00 ppm1      8.100 ppm2      9.305
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5544 weight  0.10000E+01 volume  0.10210E+01 ppm1      8.098 ppm2      3.814
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5248 weight  0.10000E+01 volume  0.13480E+01 ppm1      8.820 ppm2      2.535
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5250 weight  0.10000E+01 volume  0.86700E+00 ppm1      8.821 ppm2      2.863
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5246 weight  0.10000E+01 volume  0.45320E+01 ppm1      8.821 ppm2      4.466
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HG2 ")
  OR 
     (segid "    " and resid "14  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5252 weight  0.10000E+01 volume  0.49800E+00 ppm1      8.820 ppm2      1.403
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HB2 ")
  OR 
     (segid "    " and resid "14  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5253 weight  0.10000E+01 volume  0.79200E+00 ppm1      8.820 ppm2      1.801
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5247 weight  0.10000E+01 volume  0.13590E+01 ppm1      8.821 ppm2      2.128
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5251 weight  0.10000E+01 volume  0.78600E+00 ppm1      8.821 ppm2      2.276
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5255 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.819 ppm2      9.069
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4788 weight  0.10000E+01 volume  0.18100E+00 ppm1      9.069 ppm2      3.076
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4783 weight  0.10000E+01 volume  0.37300E+00 ppm1      9.071 ppm2      2.128
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4781 weight  0.10000E+01 volume  0.27500E+00 ppm1      9.071 ppm2      1.066
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4789 weight  0.10000E+01 volume  0.15600E+00 ppm1      9.071 ppm2      3.720
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  4776 weight  0.10000E+01 volume  0.38100E+01 ppm1      9.071 ppm2      4.818
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      6.000     6.000     0.000 peak  4793 weight  0.10000E+01 volume  0.71000E-01 ppm1      9.073 ppm2      7.308
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4777 weight  0.10000E+01 volume  0.25800E+01 ppm1      9.071 ppm2      1.385
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4780 weight  0.10000E+01 volume  0.42800E+00 ppm1      9.070 ppm2      2.277
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  4778 weight  0.10000E+01 volume  0.15480E+01 ppm1      9.071 ppm2      4.285
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4791 weight  0.10000E+01 volume  0.11100E+00 ppm1      9.072 ppm2      2.864
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
  OR 
     (segid "    " and resid "15  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4784 weight  0.10000E+01 volume  0.45100E+00 ppm1      9.070 ppm2      2.526
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4782 weight  0.10000E+01 volume  0.27300E+00 ppm1      9.071 ppm2      7.769
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4790 weight  0.10000E+01 volume  0.10400E+00 ppm1      9.067 ppm2      1.893
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5446 weight  0.10000E+01 volume  0.24800E+00 ppm1      7.789 ppm2      7.485
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5441 weight  0.10000E+01 volume  0.21560E+01 ppm1      7.788 ppm2      3.803
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5442 weight  0.10000E+01 volume  0.80600E+00 ppm1      7.788 ppm2      4.285
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5440 weight  0.10000E+01 volume  0.48330E+01 ppm1      7.788 ppm2      4.463
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5443 weight  0.10000E+01 volume  0.55900E+00 ppm1      7.782 ppm2      1.385
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5006 weight  0.10000E+01 volume  0.14000E+00 ppm1      7.503 ppm2      1.393
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HD2 ")
  OR 
     (segid "    " and resid "18  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  5002 weight  0.10000E+01 volume  0.34400E+00 ppm1      7.507 ppm2      1.254
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4993 weight  0.10000E+01 volume  0.26520E+01 ppm1      7.507 ppm2      3.802
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4997 weight  0.10000E+01 volume  0.10550E+01 ppm1      7.508 ppm2      0.646
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4995 weight  0.10000E+01 volume  0.19560E+01 ppm1      7.507 ppm2      0.760
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4999 weight  0.10000E+01 volume  0.55200E+00 ppm1      7.506 ppm2      0.174
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5000 weight  0.10000E+01 volume  0.37000E+00 ppm1      7.506 ppm2      5.298
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  4991 weight  0.10000E+01 volume  0.34500E+01 ppm1      7.507 ppm2      4.537
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4994 weight  0.10000E+01 volume  0.21850E+01 ppm1      7.507 ppm2      0.423
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5004 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.505 ppm2     10.290
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5554 weight  0.10000E+01 volume  0.13160E+01 ppm1      8.040 ppm2      0.708
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5556 weight  0.10000E+01 volume  0.13770E+01 ppm1      8.039 ppm2      0.768
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  5552 weight  0.10000E+01 volume  0.19550E+01 ppm1      8.039 ppm2      1.915
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5551 weight  0.10000E+01 volume  0.41680E+01 ppm1      8.038 ppm2      4.107
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      6.000     6.000     0.000 peak  5561 weight  0.10000E+01 volume  0.20200E+00 ppm1      8.040 ppm2      0.982
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
  OR 
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5560 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.039 ppm2      1.307
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5558 weight  0.10000E+01 volume  0.63600E+00 ppm1      8.040 ppm2      1.757
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5557 weight  0.10000E+01 volume  0.70900E+00 ppm1      8.040 ppm2      2.260
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5553 weight  0.10000E+01 volume  0.10390E+01 ppm1      8.040 ppm2      8.413
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HN  ")
  OR 
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5559 weight  0.10000E+01 volume  0.16300E+00 ppm1      8.041 ppm2      7.708
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5286 weight  0.10000E+01 volume  0.79700E+00 ppm1      8.429 ppm2      1.757
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5285 weight  0.10000E+01 volume  0.66900E+00 ppm1      8.429 ppm2      1.929
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5279 weight  0.10000E+01 volume  0.41260E+01 ppm1      8.430 ppm2      1.327
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HG23")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5284 weight  0.10000E+01 volume  0.12390E+01 ppm1      8.430 ppm2      0.707
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HG  ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5290 weight  0.10000E+01 volume  0.40300E+00 ppm1      8.430 ppm2      1.656
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5287 weight  0.10000E+01 volume  0.86000E+00 ppm1      8.430 ppm2      0.795
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5289 weight  0.10000E+01 volume  0.42200E+00 ppm1      8.429 ppm2      2.255
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  5281 weight  0.10000E+01 volume  0.16330E+01 ppm1      8.430 ppm2      7.710
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5288 weight  0.10000E+01 volume  0.44400E+00 ppm1      8.430 ppm2      3.664
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      6.000     6.000     0.000 peak  5293 weight  0.10000E+01 volume  0.11000E+00 ppm1      8.429 ppm2      0.978
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4836 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.739 ppm2      2.268
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HD23")
  OR 
     (segid "    " and resid "23  " and name "HD22")
  OR 
     (segid "    " and resid "23  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4832 weight  0.10000E+01 volume  0.12150E+01 ppm1      7.737 ppm2      0.821
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  4833 weight  0.10000E+01 volume  0.63700E+00 ppm1      7.737 ppm2      1.925
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      6.000     6.000     0.000 peak  4838 weight  0.10000E+01 volume  0.21700E+00 ppm1      7.737 ppm2      0.977
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HB3 ")
  OR 
     (segid "    " and resid "23  " and name "HB2 ")
  OR 
     (segid "    " and resid "23  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4830 weight  0.10000E+01 volume  0.13870E+01 ppm1      7.738 ppm2      1.326
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4828 weight  0.10000E+01 volume  0.27600E+01 ppm1      7.738 ppm2      1.700
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4837 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.739 ppm2      2.170
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4834 weight  0.10000E+01 volume  0.33200E+00 ppm1      7.737 ppm2      3.658
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4835 weight  0.10000E+01 volume  0.13700E+00 ppm1      7.737 ppm2      8.032
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5021 weight  0.10000E+01 volume  0.15900E+01 ppm1      7.697 ppm2      1.287
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5023 weight  0.10000E+01 volume  0.63400E+00 ppm1      7.698 ppm2      3.664
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5022 weight  0.10000E+01 volume  0.10000E+01 ppm1      7.698 ppm2      0.984
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5025 weight  0.10000E+01 volume  0.73800E+00 ppm1      7.697 ppm2      4.222
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5026 weight  0.10000E+01 volume  0.21700E+00 ppm1      7.700 ppm2      8.415
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5277 weight  0.10000E+01 volume  0.83000E-01 ppm1      8.820 ppm2      3.333
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5278 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.821 ppm2      3.139
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
  OR 
     (segid "    " and resid "24  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  5272 weight  0.10000E+01 volume  0.26800E+00 ppm1      8.824 ppm2      1.919
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5271 weight  0.10000E+01 volume  0.29900E+00 ppm1      8.823 ppm2      2.150
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5267 weight  0.10000E+01 volume  0.72000E+00 ppm1      8.825 ppm2      5.435
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5266 weight  0.10000E+01 volume  0.14610E+01 ppm1      8.824 ppm2      0.726
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5268 weight  0.10000E+01 volume  0.69900E+00 ppm1      8.825 ppm2      1.055
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5270 weight  0.10000E+01 volume  0.55900E+00 ppm1      8.822 ppm2      1.287
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5269 weight  0.10000E+01 volume  0.56800E+00 ppm1      8.823 ppm2      1.754
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  5273 weight  0.10000E+01 volume  0.22700E+00 ppm1      8.823 ppm2      4.853
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5275 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.824 ppm2      4.982
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  5264 weight  0.10000E+01 volume  0.19150E+01 ppm1      8.825 ppm2      7.655
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5018 weight  0.10000E+01 volume  0.10300E+00 ppm1      7.675 ppm2      2.719
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5014 weight  0.10000E+01 volume  0.10130E+01 ppm1      7.673 ppm2      1.056
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5011 weight  0.10000E+01 volume  0.64700E+00 ppm1      7.673 ppm2      3.129
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5010 weight  0.10000E+01 volume  0.60200E+00 ppm1      7.673 ppm2      3.332
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5012 weight  0.10000E+01 volume  0.63400E+00 ppm1      7.672 ppm2      8.530
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "25  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5013 weight  0.10000E+01 volume  0.11570E+01 ppm1      7.675 ppm2      1.756
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5081 weight  0.10000E+01 volume  0.13200E+00 ppm1      7.849 ppm2      8.520
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  5078 weight  0.10000E+01 volume  0.10000E+00 ppm1      7.853 ppm2      7.306
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5071 weight  0.10000E+01 volume  0.79400E+00 ppm1      7.849 ppm2      0.794
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5068 weight  0.10000E+01 volume  0.71300E+00 ppm1      7.849 ppm2      3.128
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5075 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.848 ppm2      8.684
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5074 weight  0.10000E+01 volume  0.22300E+00 ppm1      7.849 ppm2      2.807
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5066 weight  0.10000E+01 volume  0.33260E+01 ppm1      7.850 ppm2      4.985
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5073 weight  0.10000E+01 volume  0.31400E+00 ppm1      7.849 ppm2      2.538
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5070 weight  0.10000E+01 volume  0.62900E+00 ppm1      7.848 ppm2      3.335
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5076 weight  0.10000E+01 volume  0.16800E+00 ppm1      7.850 ppm2      6.808
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  5069 weight  0.10000E+01 volume  0.76700E+00 ppm1      7.848 ppm2      6.687
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
  OR 
     (segid "    " and resid "39  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4711 weight  0.10000E+01 volume  0.12400E+00 ppm1      8.702 ppm2      1.677
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4709 weight  0.10000E+01 volume  0.17900E+00 ppm1      8.702 ppm2      9.061
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4700 weight  0.10000E+01 volume  0.78000E+00 ppm1      8.701 ppm2      9.334
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4704 weight  0.10000E+01 volume  0.59000E+00 ppm1      8.702 ppm2      2.282
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
  OR 
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4706 weight  0.10000E+01 volume  0.38100E+00 ppm1      8.702 ppm2      4.959
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4705 weight  0.10000E+01 volume  0.59200E+00 ppm1      8.701 ppm2      0.818
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      6.000     6.000     0.000 peak  4710 weight  0.10000E+01 volume  0.13800E+00 ppm1      8.702 ppm2      1.228
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4713 weight  0.10000E+01 volume  0.90000E-01 ppm1      8.702 ppm2      1.363
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4698 weight  0.10000E+01 volume  0.11530E+01 ppm1      8.701 ppm2      1.971
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4703 weight  0.10000E+01 volume  0.79500E+00 ppm1      8.701 ppm2      2.131
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4701 weight  0.10000E+01 volume  0.68800E+00 ppm1      8.701 ppm2      2.541
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4699 weight  0.10000E+01 volume  0.92100E+00 ppm1      8.702 ppm2      2.804
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HE22")
  OR 
     (segid "    " and resid "27  " and name "HE2 ")
 )
      6.000     6.000     0.000 peak  4712 weight  0.10000E+01 volume  0.13600E+00 ppm1      8.704 ppm2      6.815
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4697 weight  0.10000E+01 volume  0.14250E+01 ppm1      8.703 ppm2      0.713
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4695 weight  0.10000E+01 volume  0.25990E+01 ppm1      8.703 ppm2      5.891
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4702 weight  0.10000E+01 volume  0.63600E+00 ppm1      8.703 ppm2      6.688
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HE22")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5176 weight  0.10000E+01 volume  0.20600E+00 ppm1      9.087 ppm2      6.684
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5175 weight  0.10000E+01 volume  0.24600E+00 ppm1      9.086 ppm2      0.673
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5172 weight  0.10000E+01 volume  0.12730E+01 ppm1      9.086 ppm2      2.458
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HE21")
  OR 
     (segid "    " and resid "28  " and name "HE21")
 )
      6.000     6.000     0.000 peak  5181 weight  0.10000E+01 volume  0.50000E-01 ppm1      9.087 ppm2      7.580
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5170 weight  0.10000E+01 volume  0.28600E+01 ppm1      9.088 ppm2      1.984
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5171 weight  0.10000E+01 volume  0.19630E+01 ppm1      9.087 ppm2      2.145
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5169 weight  0.10000E+01 volume  0.42230E+01 ppm1      9.088 ppm2      4.469
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HE22")
  OR 
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5178 weight  0.10000E+01 volume  0.98000E-01 ppm1      9.086 ppm2      6.810
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5173 weight  0.10000E+01 volume  0.43600E+00 ppm1      9.086 ppm2      8.678
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5174 weight  0.10000E+01 volume  0.34300E+00 ppm1      9.086 ppm2      2.273
 ASSI (
     (segid "    " and resid "29  " and name "HE22")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  8734 weight  0.10000E+01 volume  0.13000E+00 ppm1      6.717 ppm2      1.731
 ASSI (
     (segid "    " and resid "29  " and name "HE22")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8728 weight  0.10000E+01 volume  0.31800E+00 ppm1      6.717 ppm2      2.459
 ASSI (
     (segid "    " and resid "29  " and name "HE22")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8730 weight  0.10000E+01 volume  0.23700E+00 ppm1      6.716 ppm2      0.666
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HE22")
 )
      6.000     6.000     0.000 peak  5224 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.687 ppm2      6.752
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HB  ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5222 weight  0.10000E+01 volume  0.12500E+00 ppm1      8.688 ppm2      1.699
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5218 weight  0.10000E+01 volume  0.17800E+00 ppm1      8.688 ppm2      7.284
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5219 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.689 ppm2      9.331
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HB  ")
  OR 
     (segid "    " and resid "29  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5213 weight  0.10000E+01 volume  0.64800E+00 ppm1      8.687 ppm2      1.978
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5223 weight  0.10000E+01 volume  0.15200E+00 ppm1      8.689 ppm2      4.174
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      6.000     6.000     0.000 peak  5217 weight  0.10000E+01 volume  0.27200E+00 ppm1      8.688 ppm2      1.226
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5210 weight  0.10000E+01 volume  0.83700E+00 ppm1      8.687 ppm2      2.154
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5206 weight  0.10000E+01 volume  0.39410E+01 ppm1      8.688 ppm2      4.492
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5215 weight  0.10000E+01 volume  0.41700E+00 ppm1      8.687 ppm2      7.795
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5216 weight  0.10000E+01 volume  0.31200E+00 ppm1      8.687 ppm2      7.966
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5214 weight  0.10000E+01 volume  0.42800E+00 ppm1      8.689 ppm2      1.358
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5211 weight  0.10000E+01 volume  0.52400E+00 ppm1      8.687 ppm2      2.460
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5208 weight  0.10000E+01 volume  0.14850E+01 ppm1      8.688 ppm2      2.684
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HD13")
  OR 
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG22")
 )
      5.000     5.000     0.000 peak  5212 weight  0.10000E+01 volume  0.86100E+00 ppm1      8.688 ppm2      0.690
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5207 weight  0.10000E+01 volume  0.15870E+01 ppm1      8.688 ppm2      2.821
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
  OR 
     (segid "    " and resid "29  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5220 weight  0.10000E+01 volume  0.32600E+00 ppm1      8.688 ppm2      9.067
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG11")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5380 weight  0.10000E+01 volume  0.22800E+00 ppm1      7.974 ppm2      1.377
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5377 weight  0.10000E+01 volume  0.31400E+00 ppm1      7.975 ppm2      0.731
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5371 weight  0.10000E+01 volume  0.19780E+01 ppm1      7.977 ppm2      1.970
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5376 weight  0.10000E+01 volume  0.50100E+00 ppm1      7.977 ppm2      2.808
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5370 weight  0.10000E+01 volume  0.31810E+01 ppm1      7.977 ppm2      4.727
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5374 weight  0.10000E+01 volume  0.11240E+01 ppm1      7.976 ppm2      2.179
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  5372 weight  0.10000E+01 volume  0.15710E+01 ppm1      7.976 ppm2      2.444
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5375 weight  0.10000E+01 volume  0.58100E+00 ppm1      7.976 ppm2      2.680
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      6.000     6.000     0.000 peak  5385 weight  0.10000E+01 volume  0.10800E+00 ppm1      7.977 ppm2      1.226
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5379 weight  0.10000E+01 volume  0.29300E+00 ppm1      7.977 ppm2      2.983
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5382 weight  0.10000E+01 volume  0.29100E+00 ppm1      7.976 ppm2      7.608
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5384 weight  0.10000E+01 volume  0.14100E+00 ppm1      7.978 ppm2      3.809
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5383 weight  0.10000E+01 volume  0.11200E+00 ppm1      7.977 ppm2      7.282
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "30  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5378 weight  0.10000E+01 volume  0.43000E+00 ppm1      7.976 ppm2      8.724
 ASSI (
     (segid "    " and resid "31  " and name "HE21")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8845 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.553 ppm2      2.175
 ASSI (
     (segid "    " and resid "31  " and name "HE21")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8844 weight  0.10000E+01 volume  0.99000E-01 ppm1      7.551 ppm2      1.972
 ASSI (
     (segid "    " and resid "31  " and name "HE21")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8834 weight  0.10000E+01 volume  0.75100E+00 ppm1      7.553 ppm2      2.443
 ASSI (
     (segid "    " and resid "31  " and name "HE21")
 )(
     (segid "    " and resid "31  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8833 weight  0.10000E+01 volume  0.12921E+02 ppm1      7.553 ppm2      6.870
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4630 weight  0.10000E+01 volume  0.46300E+00 ppm1      8.765 ppm2      2.443
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4629 weight  0.10000E+01 volume  0.72800E+00 ppm1      8.766 ppm2      2.179
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  4613 weight  0.10000E+01 volume  0.34130E+01 ppm1      8.766 ppm2      4.226
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4627 weight  0.10000E+01 volume  0.28320E+01 ppm1      8.765 ppm2      1.402
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4631 weight  0.10000E+01 volume  0.67200E+00 ppm1      8.766 ppm2      8.043
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4633 weight  0.10000E+01 volume  0.42000E+00 ppm1      8.766 ppm2      1.970
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4636 weight  0.10000E+01 volume  0.69000E-01 ppm1      8.765 ppm2      7.604
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5510 weight  0.10000E+01 volume  0.21700E+00 ppm1      8.060 ppm2      1.969
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5502 weight  0.10000E+01 volume  0.16020E+01 ppm1      8.060 ppm2      4.092
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5509 weight  0.10000E+01 volume  0.19900E+00 ppm1      8.059 ppm2      2.441
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5504 weight  0.10000E+01 volume  0.10330E+01 ppm1      8.059 ppm2      1.401
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5508 weight  0.10000E+01 volume  0.36700E+00 ppm1      8.061 ppm2      2.179
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5505 weight  0.10000E+01 volume  0.91400E+00 ppm1      8.058 ppm2      3.914
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5511 weight  0.10000E+01 volume  0.78000E-01 ppm1      8.060 ppm2      2.964
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5065 weight  0.10000E+01 volume  0.74000E-01 ppm1      7.636 ppm2      2.623
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  5062 weight  0.10000E+01 volume  0.12500E+00 ppm1      7.635 ppm2      3.647
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5058 weight  0.10000E+01 volume  0.16500E+00 ppm1      7.635 ppm2      2.183
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HB2 ")
  OR 
     (segid "    " and resid "33  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5053 weight  0.10000E+01 volume  0.44400E+00 ppm1      7.635 ppm2      3.943
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HB3 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5056 weight  0.10000E+01 volume  0.21600E+00 ppm1      7.635 ppm2      1.391
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5054 weight  0.10000E+01 volume  0.24400E+00 ppm1      7.634 ppm2      1.965
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5051 weight  0.10000E+01 volume  0.89900E+00 ppm1      7.635 ppm2      4.333
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5042 weight  0.10000E+01 volume  0.18750E+01 ppm1      7.635 ppm2      2.973
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5050 weight  0.10000E+01 volume  0.11240E+01 ppm1      7.635 ppm2      3.812
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5052 weight  0.10000E+01 volume  0.46900E+00 ppm1      7.634 ppm2      4.100
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  5043 weight  0.10000E+01 volume  0.15590E+01 ppm1      7.634 ppm2      8.043
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HG2 ")
  OR 
     (segid "    " and resid "31  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5061 weight  0.10000E+01 volume  0.94000E-01 ppm1      7.634 ppm2      2.442
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5048 weight  0.10000E+01 volume  0.11200E+01 ppm1      7.634 ppm2      8.328
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5343 weight  0.10000E+01 volume  0.11700E+01 ppm1      8.340 ppm2      5.020
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5348 weight  0.10000E+01 volume  0.26800E+00 ppm1      8.344 ppm2      2.974
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5346 weight  0.10000E+01 volume  0.21000E+00 ppm1      8.341 ppm2      0.992
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5347 weight  0.10000E+01 volume  0.31500E+00 ppm1      8.340 ppm2      3.810
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5345 weight  0.10000E+01 volume  0.48800E+00 ppm1      8.341 ppm2      8.021
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "11  " and name "HG23")
  OR 
     (segid "    " and resid "11  " and name "HG22")
  OR 
     (segid "    " and resid "11  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5535 weight  0.10000E+01 volume  0.18100E+00 ppm1      8.032 ppm2      0.994
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5530 weight  0.10000E+01 volume  0.12270E+01 ppm1      8.032 ppm2      1.656
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5534 weight  0.10000E+01 volume  0.48300E+00 ppm1      8.032 ppm2      2.612
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5532 weight  0.10000E+01 volume  0.70600E+00 ppm1      8.031 ppm2      3.014
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5537 weight  0.10000E+01 volume  0.17800E+00 ppm1      8.031 ppm2      5.034
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
  OR 
     (segid "    " and resid "35  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5531 weight  0.10000E+01 volume  0.78000E+00 ppm1      8.031 ppm2      8.314
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HA1 ")
 )
      3.300     3.300     0.000 peak  5525 weight  0.10000E+01 volume  0.26180E+01 ppm1      8.031 ppm2      4.270
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5527 weight  0.10000E+01 volume  0.20440E+01 ppm1      8.031 ppm2      1.340
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HG2 ")
  OR 
     (segid "    " and resid "36  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5529 weight  0.10000E+01 volume  0.14210E+01 ppm1      8.031 ppm2      1.440
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5540 weight  0.10000E+01 volume  0.92000E-01 ppm1      8.032 ppm2      7.285
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HA2 ")
 )
      3.300     3.300     0.000 peak  5526 weight  0.10000E+01 volume  0.16430E+01 ppm1      8.031 ppm2      3.647
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      6.000     6.000     0.000 peak  5541 weight  0.10000E+01 volume  0.75000E-01 ppm1      8.032 ppm2      6.760
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5536 weight  0.10000E+01 volume  0.12600E+00 ppm1      8.029 ppm2      1.910
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
  OR 
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5538 weight  0.10000E+01 volume  0.23500E+00 ppm1      8.030 ppm2      3.813
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5337 weight  0.10000E+01 volume  0.15900E+00 ppm1      8.305 ppm2      3.174
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5333 weight  0.10000E+01 volume  0.81200E+00 ppm1      8.307 ppm2      1.518
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
  OR 
     (segid "    " and resid "36  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5331 weight  0.10000E+01 volume  0.37200E+01 ppm1      8.307 ppm2      1.695
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5330 weight  0.10000E+01 volume  0.35190E+01 ppm1      8.307 ppm2      4.033
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5334 weight  0.10000E+01 volume  0.64800E+00 ppm1      8.307 ppm2      1.361
 ASSI (
     (segid "    " and resid "37  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5336 weight  0.10000E+01 volume  0.17600E+00 ppm1      8.307 ppm2      7.999
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
  OR 
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5413 weight  0.10000E+01 volume  0.10700E+00 ppm1      7.820 ppm2      2.470
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5392 weight  0.10000E+01 volume  0.36200E+00 ppm1      7.818 ppm2      8.287
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5405 weight  0.10000E+01 volume  0.14700E+00 ppm1      7.819 ppm2      4.490
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HD11")
 )
      6.000     6.000     0.000 peak  5404 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.817 ppm2      0.717
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HG2 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5399 weight  0.10000E+01 volume  0.35400E+00 ppm1      7.818 ppm2      1.524
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD22")
 )
      5.000     5.000     0.000 peak  5398 weight  0.10000E+01 volume  0.34900E+00 ppm1      7.818 ppm2      6.757
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5394 weight  0.10000E+01 volume  0.62200E+00 ppm1      7.817 ppm2      4.627
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5409 weight  0.10000E+01 volume  0.12400E+00 ppm1      7.822 ppm2      1.953
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5396 weight  0.10000E+01 volume  0.36600E+00 ppm1      7.818 ppm2      7.281
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
  OR 
     (segid "    " and resid "36  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5390 weight  0.10000E+01 volume  0.13260E+01 ppm1      7.818 ppm2      1.696
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5391 weight  0.10000E+01 volume  0.91900E+00 ppm1      7.818 ppm2      2.822
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5388 weight  0.10000E+01 volume  0.48580E+01 ppm1      7.819 ppm2      4.169
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5389 weight  0.10000E+01 volume  0.13820E+01 ppm1      7.818 ppm2      1.357
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5395 weight  0.10000E+01 volume  0.66600E+00 ppm1      7.818 ppm2      2.692
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5402 weight  0.10000E+01 volume  0.16000E+00 ppm1      7.819 ppm2      9.021
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HD2 ")
  OR 
     (segid "    " and resid "37  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5400 weight  0.10000E+01 volume  0.19400E+00 ppm1      7.818 ppm2      3.173
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5412 weight  0.10000E+01 volume  0.89000E-01 ppm1      7.819 ppm2      2.991
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4904 weight  0.10000E+01 volume  0.53700E+00 ppm1      9.040 ppm2      9.792
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4911 weight  0.10000E+01 volume  0.17300E+00 ppm1      9.042 ppm2      0.200
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4905 weight  0.10000E+01 volume  0.94800E+00 ppm1      9.041 ppm2      0.691
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4901 weight  0.10000E+01 volume  0.14330E+01 ppm1      9.041 ppm2      4.625
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HG12")
 )
      5.000     5.000     0.000 peak  4903 weight  0.10000E+01 volume  0.10080E+01 ppm1      9.040 ppm2      1.247
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "53  " and name "HG2 ")
  OR 
     (segid "    " and resid "53  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4910 weight  0.10000E+01 volume  0.35400E+00 ppm1      9.040 ppm2      1.823
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4908 weight  0.10000E+01 volume  0.35200E+00 ppm1      9.041 ppm2      1.066
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4900 weight  0.10000E+01 volume  0.20540E+01 ppm1      9.041 ppm2      1.356
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  4902 weight  0.10000E+01 volume  0.15590E+01 ppm1      9.041 ppm2      1.689
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4906 weight  0.10000E+01 volume  0.74800E+00 ppm1      9.040 ppm2      4.033
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4909 weight  0.10000E+01 volume  0.32200E+00 ppm1      9.041 ppm2      4.776
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4913 weight  0.10000E+01 volume  0.15900E+00 ppm1      9.039 ppm2      1.964
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4912 weight  0.10000E+01 volume  0.15500E+00 ppm1      9.042 ppm2      5.098
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4915 weight  0.10000E+01 volume  0.16800E+00 ppm1      9.040 ppm2      9.337
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
  OR 
     (segid "    " and resid "30  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4916 weight  0.10000E+01 volume  0.90000E-01 ppm1      9.043 ppm2      8.678
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HG2 ")
  OR 
     (segid "    " and resid "29  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4596 weight  0.10000E+01 volume  0.91000E-01 ppm1      9.346 ppm2      2.485
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4592 weight  0.10000E+01 volume  0.11800E+00 ppm1      9.350 ppm2      5.889
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
  OR 
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4589 weight  0.10000E+01 volume  0.44000E+00 ppm1      9.348 ppm2      1.683
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4595 weight  0.10000E+01 volume  0.10000E+00 ppm1      9.347 ppm2      2.274
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4587 weight  0.10000E+01 volume  0.70600E+00 ppm1      9.347 ppm2      0.818
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      5.000     5.000     0.000 peak  4585 weight  0.10000E+01 volume  0.88400E+00 ppm1      9.347 ppm2      1.226
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4584 weight  0.10000E+01 volume  0.95900E+00 ppm1      9.349 ppm2      8.680
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG11")
 )
      5.000     5.000     0.000 peak  4586 weight  0.10000E+01 volume  0.80800E+00 ppm1      9.347 ppm2      1.361
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4581 weight  0.10000E+01 volume  0.29210E+01 ppm1      9.348 ppm2      4.481
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4583 weight  0.10000E+01 volume  0.14740E+01 ppm1      9.347 ppm2      1.966
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4582 weight  0.10000E+01 volume  0.22560E+01 ppm1      9.348 ppm2      0.702
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
  OR 
     (segid "    " and resid "28  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4590 weight  0.10000E+01 volume  0.26900E+00 ppm1      9.348 ppm2      2.136
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4593 weight  0.10000E+01 volume  0.15400E+00 ppm1      9.348 ppm2      2.800
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4594 weight  0.10000E+01 volume  0.65000E-01 ppm1      9.347 ppm2      6.702
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  2053 weight  0.10000E+01 volume  0.19000E+00 ppm1      9.417 ppm2      4.682
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4644 weight  0.10000E+01 volume  0.76200E+00 ppm1      9.415 ppm2      1.472
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG12")
 )
      6.000     6.000     0.000 peak  4655 weight  0.10000E+01 volume  0.14200E+00 ppm1      9.417 ppm2      1.232
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4646 weight  0.10000E+01 volume  0.26700E+00 ppm1      9.414 ppm2      1.961
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4656 weight  0.10000E+01 volume  0.94000E-01 ppm1      9.412 ppm2      3.079
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4638 weight  0.10000E+01 volume  0.27580E+01 ppm1      9.416 ppm2      4.907
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4639 weight  0.10000E+01 volume  0.20720E+01 ppm1      9.415 ppm2      0.821
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "39  " and name "HG22")
 )
      3.300     3.300     0.000 peak  4640 weight  0.10000E+01 volume  0.17370E+01 ppm1      9.415 ppm2      0.734
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
  OR 
     (segid "    " and resid "48  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4648 weight  0.10000E+01 volume  0.26900E+00 ppm1      9.415 ppm2      1.034
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4641 weight  0.10000E+01 volume  0.10180E+01 ppm1      9.416 ppm2      1.820
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4650 weight  0.10000E+01 volume  0.14100E+00 ppm1      9.414 ppm2      8.526
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4647 weight  0.10000E+01 volume  0.26700E+00 ppm1      9.414 ppm2      2.543
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4643 weight  0.10000E+01 volume  0.61800E+00 ppm1      9.414 ppm2      8.962
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  4642 weight  0.10000E+01 volume  0.91900E+00 ppm1      9.415 ppm2      1.651
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4649 weight  0.10000E+01 volume  0.11900E+00 ppm1      9.415 ppm2      9.791
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4645 weight  0.10000E+01 volume  0.34700E+00 ppm1      9.413 ppm2      5.096
 ASSI (
     (segid "    " and resid "41  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4652 weight  0.10000E+01 volume  0.13000E+00 ppm1      9.416 ppm2      5.446
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5329 weight  0.10000E+01 volume  0.13000E+00 ppm1      8.555 ppm2      4.665
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HG11")
  OR 
     (segid "    " and resid "24  " and name "HD13")
 )
      6.000     6.000     0.000 peak  5324 weight  0.10000E+01 volume  0.19800E+00 ppm1      8.552 ppm2      1.030
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5319 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.553 ppm2      2.542
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
  OR 
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5321 weight  0.10000E+01 volume  0.11600E+00 ppm1      8.553 ppm2      5.447
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5313 weight  0.10000E+01 volume  0.40400E+00 ppm1      8.551 ppm2      5.893
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5316 weight  0.10000E+01 volume  0.18500E+00 ppm1      8.551 ppm2      3.128
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5315 weight  0.10000E+01 volume  0.29500E+00 ppm1      8.551 ppm2      2.066
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5317 weight  0.10000E+01 volume  0.14300E+00 ppm1      8.548 ppm2      3.333
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5309 weight  0.10000E+01 volume  0.12420E+01 ppm1      8.553 ppm2      1.772
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5311 weight  0.10000E+01 volume  0.98700E+00 ppm1      8.552 ppm2      1.944
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5307 weight  0.10000E+01 volume  0.25400E+01 ppm1      8.554 ppm2      4.965
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5318 weight  0.10000E+01 volume  0.19100E+00 ppm1      8.552 ppm2      8.951
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
 )
      3.300     3.300     0.000 peak  5308 weight  0.10000E+01 volume  0.16350E+01 ppm1      8.553 ppm2      0.729
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5320 weight  0.10000E+01 volume  0.24400E+00 ppm1      8.554 ppm2      2.704
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5314 weight  0.10000E+01 volume  0.53200E+00 ppm1      8.553 ppm2      1.477
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5323 weight  0.10000E+01 volume  0.17400E+00 ppm1      8.553 ppm2      1.314
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4687 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.955 ppm2      8.368
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4686 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.955 ppm2      4.853
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4681 weight  0.10000E+01 volume  0.62600E+00 ppm1      8.953 ppm2      2.704
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
 )
      6.000     6.000     0.000 peak  4691 weight  0.10000E+01 volume  0.10900E+00 ppm1      8.952 ppm2      1.018
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "47  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4688 weight  0.10000E+01 volume  0.32000E+00 ppm1      8.951 ppm2      1.561
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      3.300     3.300     0.000 peak  4675 weight  0.10000E+01 volume  0.19110E+01 ppm1      8.955 ppm2      1.339
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4674 weight  0.10000E+01 volume  0.29740E+01 ppm1      8.954 ppm2      5.614
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4679 weight  0.10000E+01 volume  0.68300E+00 ppm1      8.952 ppm2      2.084
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD23")
  OR 
     (segid "    " and resid "24  " and name "HD22")
  OR 
     (segid "    " and resid "24  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4685 weight  0.10000E+01 volume  0.36800E+00 ppm1      8.954 ppm2      0.792
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4684 weight  0.10000E+01 volume  0.38400E+00 ppm1      8.952 ppm2      1.942
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4677 weight  0.10000E+01 volume  0.91000E+00 ppm1      8.953 ppm2      7.064
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4678 weight  0.10000E+01 volume  0.10420E+01 ppm1      8.953 ppm2      0.680
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4683 weight  0.10000E+01 volume  0.36700E+00 ppm1      8.955 ppm2      4.397
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
  OR 
     (segid "    " and resid "42  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4680 weight  0.10000E+01 volume  0.57800E+00 ppm1      8.953 ppm2      1.752
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4693 weight  0.10000E+01 volume  0.11000E+00 ppm1      8.955 ppm2      4.669
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
  OR 
     (segid "    " and resid "46  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HE  ")
 )
      6.000     6.000     0.000 peak  4690 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.954 ppm2      7.199
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "24  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4931 weight  0.10000E+01 volume  0.10900E+00 ppm1      8.646 ppm2      7.680
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4926 weight  0.10000E+01 volume  0.41400E+00 ppm1      8.644 ppm2      4.232
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4929 weight  0.10000E+01 volume  0.21800E+00 ppm1      8.645 ppm2      3.174
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4923 weight  0.10000E+01 volume  0.10410E+01 ppm1      8.647 ppm2      1.345
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  4920 weight  0.10000E+01 volume  0.17260E+01 ppm1      8.647 ppm2      1.566
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4924 weight  0.10000E+01 volume  0.94800E+00 ppm1      8.647 ppm2      0.719
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  4918 weight  0.10000E+01 volume  0.21720E+01 ppm1      8.647 ppm2      4.851
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4927 weight  0.10000E+01 volume  0.45000E+00 ppm1      8.648 ppm2      4.658
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4919 weight  0.10000E+01 volume  0.29060E+01 ppm1      8.647 ppm2      1.760
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4917 weight  0.10000E+01 volume  0.20020E+01 ppm1      8.647 ppm2      5.434
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4922 weight  0.10000E+01 volume  0.81100E+00 ppm1      8.647 ppm2      7.389
 ASSI (
     (segid "    " and resid "44  " and name "HE  ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4996 weight  0.10000E+01 volume  0.37800E+00 ppm1      7.205 ppm2      1.570
 ASSI (
     (segid "    " and resid "44  " and name "HE  ")
 )(
     (segid "    " and resid "44  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4998 weight  0.10000E+01 volume  0.22500E+00 ppm1      7.210 ppm2      1.767
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4820 weight  0.10000E+01 volume  0.54900E+00 ppm1      7.409 ppm2      1.566
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4815 weight  0.10000E+01 volume  0.12040E+01 ppm1      7.409 ppm2      2.306
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4821 weight  0.10000E+01 volume  0.43800E+00 ppm1      7.409 ppm2      4.404
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4823 weight  0.10000E+01 volume  0.20700E+00 ppm1      7.410 ppm2      5.435
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4817 weight  0.10000E+01 volume  0.72700E+00 ppm1      7.409 ppm2      4.851
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD2 ")
  OR 
     (segid "    " and resid "44  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4827 weight  0.10000E+01 volume  0.11100E+00 ppm1      7.409 ppm2      3.169
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4794 weight  0.10000E+01 volume  0.26960E+01 ppm1      7.409 ppm2      1.773
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4819 weight  0.10000E+01 volume  0.48400E+00 ppm1      7.409 ppm2      7.067
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD11")
  OR 
     (segid "    " and resid "25  " and name "HG23")
  OR 
     (segid "    " and resid "25  " and name "HG22")
  OR 
     (segid "    " and resid "25  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4824 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.411 ppm2      0.713
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4818 weight  0.10000E+01 volume  0.40700E+00 ppm1      7.409 ppm2      3.757
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4812 weight  0.10000E+01 volume  0.16880E+01 ppm1      7.409 ppm2      8.372
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4822 weight  0.10000E+01 volume  0.42000E+00 ppm1      7.408 ppm2      1.348
 ASSI (
     (segid "    " and resid "45  " and name "HE21")
 )(
     (segid "    " and resid "45  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8832 weight  0.10000E+01 volume  0.92260E+01 ppm1      7.585 ppm2      6.726
 ASSI (
     (segid "    " and resid "45  " and name "HE22")
 )(
     (segid "    " and resid "45  " and name "HG2 ")
  OR 
     (segid "    " and resid "45  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8796 weight  0.10000E+01 volume  0.92000E-01 ppm1      6.743 ppm2      2.356
 ASSI (
     (segid "    " and resid "45  " and name "HE22")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8795 weight  0.10000E+01 volume  0.10700E+00 ppm1      6.742 ppm2      1.759
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  5369 weight  0.10000E+01 volume  0.14100E+00 ppm1      8.394 ppm2      4.851
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5362 weight  0.10000E+01 volume  0.35000E+00 ppm1      8.390 ppm2      2.707
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5361 weight  0.10000E+01 volume  0.34900E+00 ppm1      8.395 ppm2      2.085
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5357 weight  0.10000E+01 volume  0.43900E+00 ppm1      8.393 ppm2      3.593
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "44  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5359 weight  0.10000E+01 volume  0.37100E+00 ppm1      8.394 ppm2      3.755
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5365 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.395 ppm2      2.309
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "44  " and name "HG2 ")
  OR 
     (segid "    " and resid "44  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5366 weight  0.10000E+01 volume  0.23100E+00 ppm1      8.393 ppm2      1.558
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HD13")
  OR 
     (segid "    " and resid "25  " and name "HD12")
  OR 
     (segid "    " and resid "25  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5358 weight  0.10000E+01 volume  0.49800E+00 ppm1      8.394 ppm2      0.694
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
  OR 
     (segid "    " and resid "44  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5356 weight  0.10000E+01 volume  0.70700E+00 ppm1      8.393 ppm2      1.769
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5355 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.395 ppm2      3.316
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5364 weight  0.10000E+01 volume  0.17400E+00 ppm1      8.393 ppm2      1.355
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  5353 weight  0.10000E+01 volume  0.16630E+01 ppm1      8.394 ppm2      7.054
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  5367 weight  0.10000E+01 volume  0.17500E+00 ppm1      8.393 ppm2      7.177
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5354 weight  0.10000E+01 volume  0.76700E+00 ppm1      8.389 ppm2      4.253
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4987 weight  0.10000E+01 volume  0.14400E+00 ppm1      7.077 ppm2      2.706
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4979 weight  0.10000E+01 volume  0.18400E+00 ppm1      7.078 ppm2      3.150
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      6.000     6.000     0.000 peak  4980 weight  0.10000E+01 volume  0.22600E+00 ppm1      7.079 ppm2      0.695
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4973 weight  0.10000E+01 volume  0.12900E+01 ppm1      7.079 ppm2      1.564
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4988 weight  0.10000E+01 volume  0.19500E+00 ppm1      7.073 ppm2      2.311
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4975 weight  0.10000E+01 volume  0.10280E+01 ppm1      7.078 ppm2      1.360
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4972 weight  0.10000E+01 volume  0.17700E+01 ppm1      7.078 ppm2      1.717
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4985 weight  0.10000E+01 volume  0.15000E+00 ppm1      7.078 ppm2      4.253
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4983 weight  0.10000E+01 volume  0.19200E+00 ppm1      7.076 ppm2      4.852
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4982 weight  0.10000E+01 volume  0.20100E+00 ppm1      7.080 ppm2      3.314
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4981 weight  0.10000E+01 volume  0.15000E+00 ppm1      7.080 ppm2      3.592
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
  OR 
     (segid "    " and resid "43  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4984 weight  0.10000E+01 volume  0.12400E+00 ppm1      7.079 ppm2      5.441
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4986 weight  0.10000E+01 volume  0.17300E+00 ppm1      7.080 ppm2      5.608
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4989 weight  0.10000E+01 volume  0.19900E+00 ppm1      7.078 ppm2      2.077
 ASSI (
     (segid "    " and resid "47  " and name "HE  ")
 )(
     (segid "    " and resid "47  " and name "HG1 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5619 weight  0.10000E+01 volume  0.13000E+00 ppm1      7.082 ppm2      1.563
 ASSI (
     (segid "    " and resid "47  " and name "HE  ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "43  " and name "HG22")
 )
      6.000     6.000     0.000 peak  5620 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.083 ppm2      1.381
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5457 weight  0.10000E+01 volume  0.43700E+00 ppm1      7.854 ppm2      1.380
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HD2 ")
  OR 
     (segid "    " and resid "47  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5461 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.855 ppm2      3.150
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5456 weight  0.10000E+01 volume  0.82500E+00 ppm1      7.854 ppm2      1.691
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5458 weight  0.10000E+01 volume  0.32800E+00 ppm1      7.853 ppm2      7.068
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HE2 ")
  OR 
     (segid "    " and resid "49  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5462 weight  0.10000E+01 volume  0.11500E+00 ppm1      7.856 ppm2      7.189
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5454 weight  0.10000E+01 volume  0.69100E+00 ppm1      7.854 ppm2      1.009
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5453 weight  0.10000E+01 volume  0.11310E+01 ppm1      7.854 ppm2      0.704
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5451 weight  0.10000E+01 volume  0.39050E+01 ppm1      7.855 ppm2      4.396
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "48  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  5452 weight  0.10000E+01 volume  0.34910E+01 ppm1      7.855 ppm2      1.556
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5460 weight  0.10000E+01 volume  0.21800E+00 ppm1      7.854 ppm2      8.945
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HG2 ")
  OR 
     (segid "    " and resid "43  " and name "HG23")
  OR 
     (segid "    " and resid "43  " and name "HG22")
  OR 
     (segid "    " and resid "43  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4808 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.977 ppm2      1.366
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4807 weight  0.10000E+01 volume  0.23700E+00 ppm1      8.977 ppm2      1.802
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4806 weight  0.10000E+01 volume  0.16000E+00 ppm1      8.977 ppm2      7.838
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      5.000     5.000     0.000 peak  4796 weight  0.10000E+01 volume  0.12350E+01 ppm1      8.978 ppm2      0.691
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG23")
  OR 
     (segid "    " and resid "40  " and name "HG22")
  OR 
     (segid "    " and resid "40  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4797 weight  0.10000E+01 volume  0.10200E+01 ppm1      8.978 ppm2      0.812
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HG  ")
  OR 
     (segid "    " and resid "48  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4803 weight  0.10000E+01 volume  0.75900E+00 ppm1      8.976 ppm2      1.548
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4798 weight  0.10000E+01 volume  0.84700E+00 ppm1      8.977 ppm2      2.546
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4804 weight  0.10000E+01 volume  0.52900E+00 ppm1      8.977 ppm2      3.091
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4800 weight  0.10000E+01 volume  0.72200E+00 ppm1      8.976 ppm2      1.010
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4795 weight  0.10000E+01 volume  0.28400E+01 ppm1      8.977 ppm2      5.456
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4801 weight  0.10000E+01 volume  0.72700E+00 ppm1      8.976 ppm2      7.121
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4809 weight  0.10000E+01 volume  0.24200E+00 ppm1      8.978 ppm2      4.903
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HD13")
  OR 
     (segid "    " and resid "19  " and name "HD12")
  OR 
     (segid "    " and resid "19  " and name "HD11")
 )
      6.000     6.000     0.000 peak  4811 weight  0.10000E+01 volume  0.69000E-01 ppm1      8.978 ppm2      0.228
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4968 weight  0.10000E+01 volume  0.67000E-01 ppm1      9.219 ppm2      1.055
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4961 weight  0.10000E+01 volume  0.50500E+00 ppm1      9.220 ppm2      1.380
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4956 weight  0.10000E+01 volume  0.13690E+01 ppm1      9.220 ppm2      3.710
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HD2 ")
  OR 
     (segid "    " and resid "49  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4963 weight  0.10000E+01 volume  0.37100E+00 ppm1      9.220 ppm2      7.120
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4957 weight  0.10000E+01 volume  0.14930E+01 ppm1      9.220 ppm2      2.525
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4958 weight  0.10000E+01 volume  0.95800E+00 ppm1      9.220 ppm2      3.086
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4955 weight  0.10000E+01 volume  0.27320E+01 ppm1      9.220 ppm2      4.681
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "10  " and name "HD13")
  OR 
     (segid "    " and resid "10  " and name "HD12")
  OR 
     (segid "    " and resid "10  " and name "HD11")
 )
      5.000     5.000     0.000 peak  4960 weight  0.10000E+01 volume  0.65000E+00 ppm1      9.220 ppm2      0.730
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  4964 weight  0.10000E+01 volume  0.26500E+00 ppm1      9.220 ppm2      4.281
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4962 weight  0.10000E+01 volume  0.55100E+00 ppm1      9.219 ppm2      4.852
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4967 weight  0.10000E+01 volume  0.14700E+00 ppm1      9.223 ppm2      9.797
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
  OR 
     (segid "    " and resid "38  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4610 weight  0.10000E+01 volume  0.14400E+00 ppm1      9.813 ppm2      4.648
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4614 weight  0.10000E+01 volume  0.59000E-01 ppm1      9.816 ppm2      0.205
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
  OR 
     (segid "    " and resid "16  " and name "HG23")
 )
      5.000     5.000     0.000 peak  4600 weight  0.10000E+01 volume  0.12650E+01 ppm1      9.813 ppm2      1.360
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4626 weight  0.10000E+01 volume  0.11800E+00 ppm1      9.816 ppm2      1.919
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4605 weight  0.10000E+01 volume  0.30000E+00 ppm1      9.812 ppm2      3.711
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4608 weight  0.10000E+01 volume  0.12900E+00 ppm1      9.812 ppm2      8.671
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4599 weight  0.10000E+01 volume  0.15500E+01 ppm1      9.813 ppm2      1.066
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  4598 weight  0.10000E+01 volume  0.25690E+01 ppm1      9.813 ppm2      5.100
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD12")
  OR 
     (segid "    " and resid "41  " and name "HD11")
 )
      6.000     6.000     0.000 peak  4609 weight  0.10000E+01 volume  0.24700E+00 ppm1      9.816 ppm2      0.839
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
  OR 
     (segid "    " and resid "40  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4607 weight  0.10000E+01 volume  0.14500E+00 ppm1      9.812 ppm2      9.392
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "39  " and name "HG23")
  OR 
     (segid "    " and resid "39  " and name "HG22")
  OR 
     (segid "    " and resid "39  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4603 weight  0.10000E+01 volume  0.53000E+00 ppm1      9.816 ppm2      0.722
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HG  ")
  OR 
     (segid "    " and resid "39  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4606 weight  0.10000E+01 volume  0.37700E+00 ppm1      9.813 ppm2      1.683
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4604 weight  0.10000E+01 volume  0.54000E+00 ppm1      9.813 ppm2      2.507
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4612 weight  0.10000E+01 volume  0.48000E-01 ppm1      9.818 ppm2     -0.857
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5238 weight  0.10000E+01 volume  0.20800E+00 ppm1      8.685 ppm2      4.041
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5233 weight  0.10000E+01 volume  0.53000E+00 ppm1      8.683 ppm2      2.257
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      6.000     6.000     0.000 peak  5244 weight  0.10000E+01 volume  0.82000E-01 ppm1      8.684 ppm2      7.310
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5234 weight  0.10000E+01 volume  0.22500E+00 ppm1      8.680 ppm2      2.866
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5243 weight  0.10000E+01 volume  0.95000E-01 ppm1      8.685 ppm2      7.550
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5236 weight  0.10000E+01 volume  0.27200E+00 ppm1      8.683 ppm2      2.131
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5228 weight  0.10000E+01 volume  0.12400E+01 ppm1      8.684 ppm2      1.066
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5227 weight  0.10000E+01 volume  0.25170E+01 ppm1      8.684 ppm2      4.827
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  5239 weight  0.10000E+01 volume  0.12200E+00 ppm1      8.683 ppm2      0.203
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "38  " and name "HB3 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "38  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5232 weight  0.10000E+01 volume  0.27700E+00 ppm1      8.684 ppm2      1.382
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5241 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.684 ppm2      1.749
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HE3 ")
  OR 
     (segid "    " and resid "15  " and name "HE2 ")
  OR 
     (segid "    " and resid "15  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5237 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.683 ppm2      1.918
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5230 weight  0.10000E+01 volume  0.14320E+01 ppm1      8.685 ppm2      3.042
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
  OR 
     (segid "    " and resid "52  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5229 weight  0.10000E+01 volume  0.15570E+01 ppm1      8.684 ppm2      2.435
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HN  ")
  OR 
     (segid "    " and resid "16  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5235 weight  0.10000E+01 volume  0.20600E+00 ppm1      8.684 ppm2      9.029
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5231 weight  0.10000E+01 volume  0.55400E+00 ppm1      8.683 ppm2     -0.857
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4756 weight  0.10000E+01 volume  0.13100E+00 ppm1      8.201 ppm2      3.040
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
  OR 
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4751 weight  0.10000E+01 volume  0.30600E+00 ppm1      8.202 ppm2      2.438
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  4749 weight  0.10000E+01 volume  0.17490E+01 ppm1      8.203 ppm2      1.324
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "54  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4748 weight  0.10000E+01 volume  0.27010E+01 ppm1      8.203 ppm2      1.723
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4752 weight  0.10000E+01 volume  0.41600E+00 ppm1      8.205 ppm2      1.978
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4755 weight  0.10000E+01 volume  0.14600E+00 ppm1      8.205 ppm2      2.227
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4747 weight  0.10000E+01 volume  0.25070E+01 ppm1      8.204 ppm2      7.547
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4759 weight  0.10000E+01 volume  0.64000E-01 ppm1      8.206 ppm2     -0.859
 ASSI (
     (segid "    " and resid "54  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4757 weight  0.10000E+01 volume  0.96000E-01 ppm1      8.203 ppm2      0.203
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5039 weight  0.10000E+01 volume  0.17200E+00 ppm1      7.566 ppm2      6.154
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5030 weight  0.10000E+01 volume  0.11320E+01 ppm1      7.567 ppm2      2.437
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5034 weight  0.10000E+01 volume  0.50700E+00 ppm1      7.567 ppm2     -0.857
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HG1 ")
  OR 
     (segid "    " and resid "54  " and name "HG2 ")
  OR 
     (segid "    " and resid "54  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5036 weight  0.10000E+01 volume  0.37600E+00 ppm1      7.568 ppm2      1.331
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  5040 weight  0.10000E+01 volume  0.19700E+00 ppm1      7.566 ppm2      0.202
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5031 weight  0.10000E+01 volume  0.13390E+01 ppm1      7.567 ppm2      1.959
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "54  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5035 weight  0.10000E+01 volume  0.66600E+00 ppm1      7.568 ppm2      3.964
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5033 weight  0.10000E+01 volume  0.91600E+00 ppm1      7.567 ppm2      2.228
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5038 weight  0.10000E+01 volume  0.30600E+00 ppm1      7.565 ppm2      3.041
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
  OR 
     (segid "    " and resid "54  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5029 weight  0.10000E+01 volume  0.28040E+01 ppm1      7.567 ppm2      1.767
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5037 weight  0.10000E+01 volume  0.37400E+00 ppm1      7.566 ppm2      9.002
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4621 weight  0.10000E+01 volume  0.45300E+00 ppm1      9.025 ppm2      1.768
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4619 weight  0.10000E+01 volume  0.10570E+01 ppm1      9.023 ppm2      2.394
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4623 weight  0.10000E+01 volume  0.75000E-01 ppm1      9.029 ppm2      6.153
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4620 weight  0.10000E+01 volume  0.50500E+00 ppm1      9.026 ppm2      1.954
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4618 weight  0.10000E+01 volume  0.11800E+01 ppm1      9.025 ppm2      2.120
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4616 weight  0.10000E+01 volume  0.19280E+01 ppm1      9.025 ppm2      2.246
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  4615 weight  0.10000E+01 volume  0.33210E+01 ppm1      9.025 ppm2      4.133
 ASSI (
     (segid "    " and resid "56  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4625 weight  0.10000E+01 volume  0.77000E-01 ppm1      9.026 ppm2      1.359
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  2431 weight  0.10000E+01 volume  0.32900E+00 ppm1      7.935 ppm2      3.592
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  2363 weight  0.10000E+01 volume  0.21750E+01 ppm1      7.936 ppm2      2.380
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  3395 weight  0.10000E+01 volume  0.15700E+00 ppm1      7.937 ppm2      8.679
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "56  " and name "HE22")
 )
      2.700     2.700     0.000 peak  2078 weight  0.10000E+01 volume  0.94260E+01 ppm1      7.936 ppm2      6.941
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "59  " and name "HD2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  2468 weight  0.10000E+01 volume  0.19600E+00 ppm1      7.936 ppm2      1.378
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4692 weight  0.10000E+01 volume  0.80000E-01 ppm1      7.936 ppm2      1.544
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4634 weight  0.10000E+01 volume  0.26200E+00 ppm1      7.938 ppm2      2.110
 ASSI (
     (segid "    " and resid "56  " and name "HE21")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  2433 weight  0.10000E+01 volume  0.43000E+00 ppm1      7.936 ppm2      1.741
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8679 weight  0.10000E+01 volume  0.14800E+00 ppm1      6.958 ppm2      1.535
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8669 weight  0.10000E+01 volume  0.12900E+01 ppm1      6.958 ppm2      2.380
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8670 weight  0.10000E+01 volume  0.21500E+00 ppm1      6.957 ppm2      3.593
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "60  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8675 weight  0.10000E+01 volume  0.12500E+00 ppm1      6.957 ppm2      8.677
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8671 weight  0.10000E+01 volume  0.45000E+00 ppm1      6.959 ppm2      1.741
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8678 weight  0.10000E+01 volume  0.16100E+00 ppm1      6.960 ppm2      2.112
 ASSI (
     (segid "    " and resid "56  " and name "HE22")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HD2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8672 weight  0.10000E+01 volume  0.25500E+00 ppm1      6.959 ppm2      1.379
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4670 weight  0.10000E+01 volume  0.27500E+00 ppm1      8.963 ppm2      4.131
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4666 weight  0.10000E+01 volume  0.59300E+00 ppm1      8.963 ppm2      3.586
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4672 weight  0.10000E+01 volume  0.18500E+00 ppm1      8.964 ppm2     10.292
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  4659 weight  0.10000E+01 volume  0.14900E+01 ppm1      8.963 ppm2      7.606
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4663 weight  0.10000E+01 volume  0.81200E+00 ppm1      8.963 ppm2      2.245
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4669 weight  0.10000E+01 volume  0.23600E+00 ppm1      8.964 ppm2     -0.856
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4662 weight  0.10000E+01 volume  0.94700E+00 ppm1      8.963 ppm2      2.117
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4657 weight  0.10000E+01 volume  0.16220E+01 ppm1      8.963 ppm2      3.199
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4661 weight  0.10000E+01 volume  0.10930E+01 ppm1      8.963 ppm2      3.489
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4667 weight  0.10000E+01 volume  0.27900E+00 ppm1      8.964 ppm2      7.288
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4668 weight  0.10000E+01 volume  0.51700E+00 ppm1      8.963 ppm2      1.762
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4664 weight  0.10000E+01 volume  0.56800E+00 ppm1      8.962 ppm2      1.951
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HB1 ")
  OR 
     (segid "    " and resid "18  " and name "HE2 ")
  OR 
     (segid "    " and resid "18  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4673 weight  0.10000E+01 volume  0.19800E+00 ppm1      8.962 ppm2      2.704
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4665 weight  0.10000E+01 volume  0.65400E+00 ppm1      8.962 ppm2      2.394
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4660 weight  0.10000E+01 volume  0.10100E+01 ppm1      8.963 ppm2      6.155
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "16  " and name "HG23")
  OR 
     (segid "    " and resid "16  " and name "HG22")
  OR 
     (segid "    " and resid "16  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4775 weight  0.10000E+01 volume  0.14800E+00 ppm1     10.308 ppm2      1.393
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "55  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4773 weight  0.10000E+01 volume  0.15500E+00 ppm1     10.305 ppm2      2.231
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "55  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4764 weight  0.10000E+01 volume  0.30800E+00 ppm1     10.308 ppm2      2.438
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4772 weight  0.10000E+01 volume  0.15300E+00 ppm1     10.306 ppm2      0.409
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HZ2 ")
 )
      5.000     5.000     0.000 peak  4762 weight  0.10000E+01 volume  0.13730E+01 ppm1     10.309 ppm2      7.309
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4766 weight  0.10000E+01 volume  0.37900E+00 ppm1     10.310 ppm2      1.771
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4765 weight  0.10000E+01 volume  0.45400E+00 ppm1     10.308 ppm2      1.957
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  4763 weight  0.10000E+01 volume  0.50700E+00 ppm1     10.308 ppm2     -0.857
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4774 weight  0.10000E+01 volume  0.16900E+00 ppm1     10.308 ppm2      0.654
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4769 weight  0.10000E+01 volume  0.22300E+00 ppm1     10.307 ppm2      4.536
 ASSI (
     (segid "    " and resid "57  " and name "HE1 ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4771 weight  0.10000E+01 volume  0.12400E+00 ppm1     10.306 ppm2      3.204
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5632 weight  0.10000E+01 volume  0.12500E+00 ppm1      6.177 ppm2      3.202
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5637 weight  0.10000E+01 volume  0.68000E-01 ppm1      6.176 ppm2      3.782
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
  OR 
     (segid "    " and resid "55  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5636 weight  0.10000E+01 volume  0.12200E+00 ppm1      6.180 ppm2      2.430
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5628 weight  0.10000E+01 volume  0.45100E+00 ppm1      6.177 ppm2      1.956
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5633 weight  0.10000E+01 volume  0.16000E+00 ppm1      6.177 ppm2      3.573
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5623 weight  0.10000E+01 volume  0.24100E+00 ppm1      6.177 ppm2      4.441
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB3 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5638 weight  0.10000E+01 volume  0.80000E-01 ppm1      6.181 ppm2      1.063
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5613 weight  0.10000E+01 volume  0.18540E+01 ppm1      6.179 ppm2     -0.857
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5639 weight  0.10000E+01 volume  0.14300E+00 ppm1      6.177 ppm2      3.499
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HB2 ")
  OR 
     (segid "    " and resid "55  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  5634 weight  0.10000E+01 volume  0.99000E-01 ppm1      6.177 ppm2      2.225
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5621 weight  0.10000E+01 volume  0.50800E+00 ppm1      6.177 ppm2      0.198
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  5617 weight  0.10000E+01 volume  0.22170E+01 ppm1      6.180 ppm2      1.702
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5631 weight  0.10000E+01 volume  0.23000E+00 ppm1      6.177 ppm2      7.577
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5629 weight  0.10000E+01 volume  0.30700E+00 ppm1      6.179 ppm2      1.377
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  5615 weight  0.10000E+01 volume  0.15030E+01 ppm1      6.179 ppm2      7.280
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HE2 ")
  OR 
     (segid "    " and resid "59  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5600 weight  0.10000E+01 volume  0.21100E+00 ppm1      7.294 ppm2      2.769
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5606 weight  0.10000E+01 volume  0.85000E-01 ppm1      7.296 ppm2      4.443
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  5596 weight  0.10000E+01 volume  0.47800E+00 ppm1      7.295 ppm2      1.524
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5603 weight  0.10000E+01 volume  0.18900E+00 ppm1      7.294 ppm2      1.971
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5597 weight  0.10000E+01 volume  0.35800E+00 ppm1      7.294 ppm2      2.547
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5595 weight  0.10000E+01 volume  0.61000E+00 ppm1      7.295 ppm2      3.588
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5592 weight  0.10000E+01 volume  0.86300E+00 ppm1      7.294 ppm2      1.176
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  5589 weight  0.10000E+01 volume  0.21120E+01 ppm1      7.295 ppm2      1.372
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "58  " and name "HB  ")
 )
      2.700     2.700     0.000 peak  5587 weight  0.10000E+01 volume  0.36000E+01 ppm1      7.295 ppm2      1.717
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5593 weight  0.10000E+01 volume  0.52100E+00 ppm1      7.295 ppm2     -0.857
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5594 weight  0.10000E+01 volume  0.51700E+00 ppm1      7.295 ppm2      0.200
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "53  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5601 weight  0.10000E+01 volume  0.13600E+00 ppm1      7.295 ppm2      3.919
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5605 weight  0.10000E+01 volume  0.68000E-01 ppm1      7.295 ppm2      4.284
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
  OR 
     (segid "    " and resid "56  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4950 weight  0.10000E+01 volume  0.10900E+00 ppm1      8.703 ppm2      2.121
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4947 weight  0.10000E+01 volume  0.17400E+00 ppm1      8.703 ppm2      2.358
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4940 weight  0.10000E+01 volume  0.55300E+00 ppm1      8.702 ppm2      3.777
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4954 weight  0.10000E+01 volume  0.99000E-01 ppm1      8.703 ppm2      3.983
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4944 weight  0.10000E+01 volume  0.20700E+00 ppm1      8.701 ppm2      1.176
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4937 weight  0.10000E+01 volume  0.23030E+01 ppm1      8.702 ppm2      1.735
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4939 weight  0.10000E+01 volume  0.52800E+00 ppm1      8.701 ppm2      4.441
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4941 weight  0.10000E+01 volume  0.33200E+00 ppm1      8.703 ppm2      6.154
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4933 weight  0.10000E+01 volume  0.33400E+01 ppm1      8.702 ppm2      2.678
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  4951 weight  0.10000E+01 volume  0.24900E+00 ppm1      8.701 ppm2      1.510
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4952 weight  0.10000E+01 volume  0.57000E-01 ppm1      8.702 ppm2      0.204
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4943 weight  0.10000E+01 volume  0.28700E+00 ppm1      8.701 ppm2      3.588
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4945 weight  0.10000E+01 volume  0.13500E+00 ppm1      8.701 ppm2      8.228
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  4934 weight  0.10000E+01 volume  0.15320E+01 ppm1      8.702 ppm2      7.279
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HD2 ")
  OR 
     (segid "    " and resid "59  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4938 weight  0.10000E+01 volume  0.74200E+00 ppm1      8.702 ppm2      1.382
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4935 weight  0.10000E+01 volume  0.13050E+01 ppm1      8.702 ppm2      8.053
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
  OR 
     (segid "    " and resid "21  " and name "HG11")
 )
      5.000     5.000     0.000 peak  4737 weight  0.10000E+01 volume  0.32700E+00 ppm1      8.073 ppm2      0.769
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  4741 weight  0.10000E+01 volume  0.13500E+00 ppm1      8.073 ppm2      1.855
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  4740 weight  0.10000E+01 volume  0.17900E+00 ppm1      8.072 ppm2      2.022
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4739 weight  0.10000E+01 volume  0.14800E+00 ppm1      8.074 ppm2      3.333
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  4726 weight  0.10000E+01 volume  0.31780E+01 ppm1      8.074 ppm2      1.407
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4734 weight  0.10000E+01 volume  0.22200E+00 ppm1      8.074 ppm2      4.441
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4733 weight  0.10000E+01 volume  0.36300E+00 ppm1      8.072 ppm2      7.291
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4731 weight  0.10000E+01 volume  0.76800E+00 ppm1      8.074 ppm2      2.543
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  4727 weight  0.10000E+01 volume  0.20130E+01 ppm1      8.073 ppm2      2.679
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4736 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.072 ppm2      0.198
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
  OR 
     (segid "    " and resid "58  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  4735 weight  0.10000E+01 volume  0.31800E+00 ppm1      8.072 ppm2      1.731
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4742 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.074 ppm2     -0.857
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4743 weight  0.10000E+01 volume  0.86000E-01 ppm1      8.072 ppm2      3.780
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HD13")
  OR 
     (segid "    " and resid "24  " and name "HD12")
  OR 
     (segid "    " and resid "24  " and name "HD11")
 )
      6.000     6.000     0.000 peak  4744 weight  0.10000E+01 volume  0.83000E-01 ppm1      8.073 ppm2      0.987
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4732 weight  0.10000E+01 volume  0.53400E+00 ppm1      8.072 ppm2      4.285
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4738 weight  0.10000E+01 volume  0.16300E+00 ppm1      8.074 ppm2      7.687
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  4745 weight  0.10000E+01 volume  0.67000E-01 ppm1      8.073 ppm2      6.158
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4730 weight  0.10000E+01 volume  0.13950E+01 ppm1      8.073 ppm2      8.217
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4746 weight  0.10000E+01 volume  0.92000E-01 ppm1      8.073 ppm2      2.140
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG13")
  OR 
     (segid "    " and resid "21  " and name "HG12")
 )
      6.000     6.000     0.000 peak  4856 weight  0.10000E+01 volume  0.21100E+00 ppm1      8.243 ppm2      0.778
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4852 weight  0.10000E+01 volume  0.34800E+00 ppm1      8.240 ppm2      3.778
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4855 weight  0.10000E+01 volume  0.25700E+00 ppm1      8.241 ppm2      2.526
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4850 weight  0.10000E+01 volume  0.12070E+01 ppm1      8.242 ppm2      1.505
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4853 weight  0.10000E+01 volume  0.44800E+00 ppm1      8.241 ppm2      4.000
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      6.000     6.000     0.000 peak  4854 weight  0.10000E+01 volume  0.27400E+00 ppm1      8.242 ppm2      0.200
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4845 weight  0.10000E+01 volume  0.14560E+01 ppm1      8.241 ppm2      1.410
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  4846 weight  0.10000E+01 volume  0.15840E+01 ppm1      8.242 ppm2      1.846
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  4841 weight  0.10000E+01 volume  0.18940E+01 ppm1      8.242 ppm2      2.018
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4848 weight  0.10000E+01 volume  0.11770E+01 ppm1      8.241 ppm2      0.411
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4861 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.243 ppm2      2.680
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HD23")
  OR 
     (segid "    " and resid "41  " and name "HD22")
  OR 
     (segid "    " and resid "41  " and name "HD21")
  OR 
     (segid "    " and resid "21  " and name "HG22")
  OR 
     (segid "    " and resid "21  " and name "HG21")
 )
      6.000     6.000     0.000 peak  4857 weight  0.10000E+01 volume  0.26800E+00 ppm1      8.242 ppm2      0.704
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4859 weight  0.10000E+01 volume  0.60000E-01 ppm1      8.242 ppm2      4.282
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  4844 weight  0.10000E+01 volume  0.11840E+01 ppm1      8.242 ppm2      7.681
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4851 weight  0.10000E+01 volume  0.70700E+00 ppm1      8.242 ppm2      1.730
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  4870 weight  0.10000E+01 volume  0.62400E+00 ppm1      7.702 ppm2      2.494
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4875 weight  0.10000E+01 volume  0.39000E+00 ppm1      7.704 ppm2      1.414
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4878 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.705 ppm2      3.776
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  4869 weight  0.10000E+01 volume  0.11640E+01 ppm1      7.704 ppm2      1.836
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  4865 weight  0.10000E+01 volume  0.34630E+01 ppm1      7.705 ppm2      2.123
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HE3 ")
  OR 
     (segid "    " and resid "62  " and name "HE2 ")
  OR 
     (segid "    " and resid "62  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  4876 weight  0.10000E+01 volume  0.26800E+00 ppm1      7.704 ppm2      1.725
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  4872 weight  0.10000E+01 volume  0.53000E+00 ppm1      7.704 ppm2      2.294
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4873 weight  0.10000E+01 volume  0.54900E+00 ppm1      7.702 ppm2      4.291
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  4871 weight  0.10000E+01 volume  0.80200E+00 ppm1      7.704 ppm2      1.508
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB1 ")
  OR 
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  4880 weight  0.10000E+01 volume  0.20100E+00 ppm1      7.703 ppm2      2.677
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  4877 weight  0.10000E+01 volume  0.21700E+00 ppm1      7.702 ppm2      0.410
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  4874 weight  0.10000E+01 volume  0.56000E+00 ppm1      7.704 ppm2      3.350
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5425 weight  0.10000E+01 volume  0.15090E+01 ppm1      8.132 ppm2      4.179
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB3 ")
  OR 
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5163 weight  0.10000E+01 volume  0.10700E+00 ppm1      8.535 ppm2      1.410
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5151 weight  0.10000E+01 volume  0.17220E+01 ppm1      8.533 ppm2      2.101
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5153 weight  0.10000E+01 volume  0.97900E+00 ppm1      8.534 ppm2      8.903
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5152 weight  0.10000E+01 volume  0.15400E+01 ppm1      8.534 ppm2      3.336
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
 )
      5.000     5.000     0.000 peak  5156 weight  0.10000E+01 volume  0.12750E+01 ppm1      8.534 ppm2      0.780
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  5149 weight  0.10000E+01 volume  0.16190E+01 ppm1      8.534 ppm2      1.867
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5155 weight  0.10000E+01 volume  0.11580E+01 ppm1      8.533 ppm2      1.678
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HE22")
 )
      5.000     5.000     0.000 peak  5159 weight  0.10000E+01 volume  0.30100E+00 ppm1      8.532 ppm2      6.869
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5157 weight  0.10000E+01 volume  0.44900E+00 ppm1      8.534 ppm2      4.179
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5161 weight  0.10000E+01 volume  0.99000E-01 ppm1      8.534 ppm2      7.686
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5160 weight  0.10000E+01 volume  0.25900E+00 ppm1      8.533 ppm2      6.699
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HN  ")
  OR 
     (segid "    " and resid "67  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5158 weight  0.10000E+01 volume  0.18300E+00 ppm1      8.534 ppm2      7.911
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5162 weight  0.10000E+01 volume  0.99000E-01 ppm1      8.533 ppm2      2.884
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "62  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5198 weight  0.10000E+01 volume  0.15300E+00 ppm1      8.924 ppm2      1.492
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "65  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  5189 weight  0.10000E+01 volume  0.59200E+00 ppm1      8.923 ppm2      1.859
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5191 weight  0.10000E+01 volume  0.57200E+00 ppm1      8.922 ppm2      1.675
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5196 weight  0.10000E+01 volume  0.16400E+00 ppm1      8.925 ppm2      4.176
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD21")
  OR 
     (segid "    " and resid "65  " and name "HD13")
  OR 
     (segid "    " and resid "65  " and name "HD12")
  OR 
     (segid "    " and resid "65  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5194 weight  0.10000E+01 volume  0.37700E+00 ppm1      8.922 ppm2      0.782
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5183 weight  0.10000E+01 volume  0.15960E+01 ppm1      8.923 ppm2      2.883
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5187 weight  0.10000E+01 volume  0.11100E+01 ppm1      8.923 ppm2      4.035
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5197 weight  0.10000E+01 volume  0.18000E+00 ppm1      8.923 ppm2      6.689
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5193 weight  0.10000E+01 volume  0.36900E+00 ppm1      8.923 ppm2      3.343
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5188 weight  0.10000E+01 volume  0.95700E+00 ppm1      8.923 ppm2      2.109
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5186 weight  0.10000E+01 volume  0.13160E+01 ppm1      8.923 ppm2      2.670
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HE2 ")
  OR 
     (segid "    " and resid "27  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  5190 weight  0.10000E+01 volume  0.51200E+00 ppm1      8.922 ppm2      6.809
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  5182 weight  0.10000E+01 volume  0.17490E+01 ppm1      8.923 ppm2      7.920
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5088 weight  0.10000E+01 volume  0.13900E+00 ppm1      7.908 ppm2      4.515
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5082 weight  0.10000E+01 volume  0.22090E+01 ppm1      7.908 ppm2      2.047
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5084 weight  0.10000E+01 volume  0.13350E+01 ppm1      7.908 ppm2      2.282
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
  OR 
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5086 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.907 ppm2      1.480
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5083 weight  0.10000E+01 volume  0.13310E+01 ppm1      7.908 ppm2      1.854
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HG2 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5087 weight  0.10000E+01 volume  0.20400E+00 ppm1      7.908 ppm2      1.645
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5085 weight  0.10000E+01 volume  0.14400E+00 ppm1      7.907 ppm2      8.911
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5092 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.908 ppm2      2.881
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HD2 ")
  OR 
     (segid "    " and resid "67  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5091 weight  0.10000E+01 volume  0.91000E-01 ppm1      7.908 ppm2      3.140
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5089 weight  0.10000E+01 volume  0.15200E+00 ppm1      7.906 ppm2      0.749
 ASSI (
     (segid "    " and resid "68  " and name "HE21")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8755 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.388 ppm2      8.093
 ASSI (
     (segid "    " and resid "68  " and name "HE21")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      6.000     6.000     0.000 peak  8751 weight  0.10000E+01 volume  0.16100E+00 ppm1      7.386 ppm2      0.748
 ASSI (
     (segid "    " and resid "68  " and name "HE21")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8757 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.387 ppm2      2.074
 ASSI (
     (segid "    " and resid "68  " and name "HE21")
 )(
     (segid "    " and resid "68  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8736 weight  0.10000E+01 volume  0.99130E+01 ppm1      7.386 ppm2      6.887
 ASSI (
     (segid "    " and resid "68  " and name "HE21")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8743 weight  0.10000E+01 volume  0.37800E+00 ppm1      7.388 ppm2      2.273
 ASSI (
     (segid "    " and resid "68  " and name "HE21")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8756 weight  0.10000E+01 volume  0.89000E-01 ppm1      7.387 ppm2      4.047
 ASSI (
     (segid "    " and resid "68  " and name "HE22")
 )(
     (segid "    " and resid "64  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8779 weight  0.10000E+01 volume  0.69000E-01 ppm1      6.905 ppm2      8.095
 ASSI (
     (segid "    " and resid "68  " and name "HE22")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8775 weight  0.10000E+01 volume  0.16200E+00 ppm1      6.901 ppm2      2.277
 ASSI (
     (segid "    " and resid "68  " and name "HE22")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      6.000     6.000     0.000 peak  8772 weight  0.10000E+01 volume  0.23100E+00 ppm1      6.901 ppm2      0.745
 ASSI (
     (segid "    " and resid "68  " and name "HE22")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8778 weight  0.10000E+01 volume  0.43000E-01 ppm1      6.906 ppm2      4.044
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HD23")
  OR 
     (segid "    " and resid "65  " and name "HD22")
  OR 
     (segid "    " and resid "65  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5523 weight  0.10000E+01 volume  0.63000E-01 ppm1      7.939 ppm2      0.750
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
  OR 
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5516 weight  0.10000E+01 volume  0.12730E+01 ppm1      7.936 ppm2      4.065
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5514 weight  0.10000E+01 volume  0.44390E+01 ppm1      7.937 ppm2      1.506
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  5306 weight  0.10000E+01 volume  0.18400E+00 ppm1      7.937 ppm2      1.840
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5517 weight  0.10000E+01 volume  0.10490E+01 ppm1      7.936 ppm2      2.085
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5518 weight  0.10000E+01 volume  0.39400E+00 ppm1      7.936 ppm2      4.518
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5521 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.936 ppm2      1.669
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HG2 ")
  OR 
     (segid "    " and resid "68  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5519 weight  0.10000E+01 volume  0.35200E+00 ppm1      7.935 ppm2      2.277
 ASSI (
     (segid "    " and resid "69  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5522 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.939 ppm2      8.894
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5487 weight  0.10000E+01 volume  0.18200E+00 ppm1      7.868 ppm2      1.692
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5488 weight  0.10000E+01 volume  0.23100E+00 ppm1      7.868 ppm2      4.370
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "70  " and name "HB3 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
  OR 
     (segid "    " and resid "70  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5477 weight  0.10000E+01 volume  0.45740E+01 ppm1      7.866 ppm2      1.416
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5480 weight  0.10000E+01 volume  0.23710E+01 ppm1      7.863 ppm2      1.503
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
  OR 
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5483 weight  0.10000E+01 volume  0.68600E+00 ppm1      7.866 ppm2      4.078
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HG1 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5486 weight  0.10000E+01 volume  0.11400E+00 ppm1      7.863 ppm2      1.847
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5484 weight  0.10000E+01 volume  0.14200E+00 ppm1      7.867 ppm2      4.517
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HG  ")
  OR 
     (segid "    " and resid "72  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5495 weight  0.10000E+01 volume  0.19700E+00 ppm1      7.783 ppm2      1.720
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB3 ")
 )
      2.700     2.700     0.000 peak  5490 weight  0.10000E+01 volume  0.52060E+01 ppm1      7.781 ppm2      1.411
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5500 weight  0.10000E+01 volume  0.63000E-01 ppm1      7.781 ppm2      2.046
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5493 weight  0.10000E+01 volume  0.49100E+00 ppm1      7.783 ppm2      4.066
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HB3 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5494 weight  0.10000E+01 volume  0.29100E+00 ppm1      7.780 ppm2      1.551
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
  OR 
     (segid "    " and resid "72  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5498 weight  0.10000E+01 volume  0.66000E-01 ppm1      7.781 ppm2      4.340
 ASSI (
     (segid "    " and resid "72  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5097 weight  0.10000E+01 volume  0.10350E+01 ppm1      7.837 ppm2      1.597
 ASSI (
     (segid "    " and resid "72  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5095 weight  0.10000E+01 volume  0.12700E+01 ppm1      7.837 ppm2      1.411
 ASSI (
     (segid "    " and resid "72  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5094 weight  0.10000E+01 volume  0.16470E+01 ppm1      7.836 ppm2      4.202
 ASSI (
     (segid "    " and resid "72  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5093 weight  0.10000E+01 volume  0.29150E+01 ppm1      7.837 ppm2      1.723
 ASSI (
     (segid "    " and resid "72  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HD21")
  OR 
     (segid "    " and resid "72  " and name "HD13")
  OR 
     (segid "    " and resid "72  " and name "HD12")
  OR 
     (segid "    " and resid "72  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5099 weight  0.10000E+01 volume  0.43000E+00 ppm1      7.837 ppm2      0.888
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5410 weight  0.10000E+01 volume  0.65100E+00 ppm1      7.867 ppm2      1.175
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5414 weight  0.10000E+01 volume  0.42300E+00 ppm1      7.867 ppm2      1.596
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HD23")
  OR 
     (segid "    " and resid "72  " and name "HD22")
  OR 
     (segid "    " and resid "72  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5420 weight  0.10000E+01 volume  0.14800E+00 ppm1      7.867 ppm2      0.862
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "73  " and name "HB  ")
  OR 
     (segid "    " and resid "70  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5408 weight  0.10000E+01 volume  0.16230E+01 ppm1      7.868 ppm2      4.212
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5407 weight  0.10000E+01 volume  0.11060E+01 ppm1      7.867 ppm2      8.152
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5411 weight  0.10000E+01 volume  0.49800E+00 ppm1      7.868 ppm2      1.727
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HB3 ")
  OR 
     (segid "    " and resid "71  " and name "HB2 ")
  OR 
     (segid "    " and resid "71  " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB3 ")
 )
      6.000     6.000     0.000 peak  5416 weight  0.10000E+01 volume  0.26600E+00 ppm1      7.869 ppm2      1.412
 ASSI (
     (segid "    " and resid "74  " and name "HN  ")
 )(
     (segid "    " and resid "73  " and name "HG23")
  OR 
     (segid "    " and resid "73  " and name "HG22")
  OR 
     (segid "    " and resid "73  " and name "HG21")
 )
      6.000     6.000     0.000 peak  5569 weight  0.10000E+01 volume  0.17700E+00 ppm1      8.163 ppm2      1.174
 ASSI (
     (segid "    " and resid "74  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5564 weight  0.10000E+01 volume  0.97300E+00 ppm1      8.163 ppm2      1.767
 ASSI (
     (segid "    " and resid "74  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5566 weight  0.10000E+01 volume  0.51300E+00 ppm1      8.163 ppm2      1.586
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HG2 ")
  OR 
     (segid "    " and resid "74  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5144 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.439 ppm2      1.577
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "75  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5146 weight  0.10000E+01 volume  0.10500E+00 ppm1      8.441 ppm2      2.811
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "75  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5139 weight  0.10000E+01 volume  0.30100E+00 ppm1      8.441 ppm2      2.676
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5136 weight  0.10000E+01 volume  0.10870E+01 ppm1      8.440 ppm2      4.316
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  5140 weight  0.10000E+01 volume  0.32700E+00 ppm1      8.443 ppm2      8.131
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HB2 ")
  OR 
     (segid "    " and resid "74  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5143 weight  0.10000E+01 volume  0.15500E+00 ppm1      8.443 ppm2      1.813
 ASSI (
     (segid "    " and resid "75  " and name "HN  ")
 )(
     (segid "    " and resid "76  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  5141 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.441 ppm2      7.937
 ASSI (
     (segid "    " and resid "75  " and name "HD21")
 )(
     (segid "    " and resid "75  " and name "HD22")
 )
      2.700     2.700     0.000 peak  8831 weight  0.10000E+01 volume  0.17818E+02 ppm1      7.595 ppm2      6.858
 ASSI (
     (segid "    " and resid "76  " and name "HN  ")
 )(
     (segid "    " and resid "75  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4843 weight  0.10000E+01 volume  0.19200E+00 ppm1      7.942 ppm2      4.723
 ASSI (
     (segid "    " and resid "76  " and name "HN  ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  4849 weight  0.10000E+01 volume  0.49000E-01 ppm1      7.940 ppm2      4.304
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HE3 ")
 )
      5.000     5.000     0.000 peak  5643 weight  0.10000E+01 volume  0.44900E+00 ppm1      5.329 ppm2      7.313
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HZ3 ")
 )
      5.000     5.000     0.000 peak  5644 weight  0.10000E+01 volume  0.74300E+00 ppm1      5.327 ppm2      6.648
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5645 weight  0.10000E+01 volume  0.55600E+00 ppm1      5.328 ppm2      0.195
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HG1 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5642 weight  0.10000E+01 volume  0.83900E+00 ppm1      5.327 ppm2      0.390
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HG23")
  OR 
     (segid "    " and resid "19  " and name "HG21")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5641 weight  0.10000E+01 volume  0.11890E+01 ppm1      5.328 ppm2      0.772
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5635 weight  0.10000E+01 volume  0.31110E+01 ppm1      5.326 ppm2      0.650
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5640 weight  0.10000E+01 volume  0.11870E+01 ppm1      5.325 ppm2      1.296
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5647 weight  0.10000E+01 volume  0.41200E+00 ppm1      5.327 ppm2      4.129
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5646 weight  0.10000E+01 volume  0.51300E+00 ppm1      5.326 ppm2      1.436


!Dihedral restraints 
!
! extended structure or beta sheet with  J =   8.1
 assi (resid 4 and name C) (resid   5 and name N)
 (resid   5 and name CA) (resid   5 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   8.1
 assi (resid 5 and name C) (resid   6 and name N)
 (resid   6 and name CA) (resid   6 and name C) 1 -120.0 15.0 2

! Indeterminate phi-based on NOE intensity differences
 assi (resid 8 and name C) (resid   9 and name N)
 (resid   9 and name CA) (resid   9 and name C) 1 -90.0 90.0 2

! extended structure or beta sheet with  J =   8.2
 assi (resid 9 and name C) (resid  10 and name N)
 (resid  10 and name CA) (resid  10 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.5
 assi (resid 10 and name C) (resid  11 and name N)
 (resid  11 and name CA) (resid  11 and name C) 1 -120.0 15.0 2

! Indeterminate phi-based on NOE intensity differences
 assi (resid 11 and name C) (resid   12 and name N)
 (resid   12 and name CA) (resid   12 and name C) 1 -90.0 90.0 2

! alpha helix with J =    1.1
 assi (resid 12 and name C)  (resid  13 and name N)
 (resid  13 and name CA) (resid  13 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   8.3
 assi (resid 16 and name C) (resid  17 and name N)
 (resid  17 and name CA) (resid  17 and name C) 1 -120.0 15.0 2

! Indeterminate phi-based on NOE intensity differences
 assi (resid 17 and name C) (resid   18 and name N)
 (resid   18 and name CA) (resid   18 and name C) 1 -90.0 90.0 2

! Indeterminate phi-based on NOE intensity differences
 assi (resid 18 and name C) (resid   19 and name N)
 (resid   19 and name CA) (resid   19 and name C) 1 -90.0 90.0 2

! alpha helix with J =    2.9
 assi (resid 20 and name C)  (resid  21 and name N)
 (resid  21 and name CA) (resid  21 and name C) 1 -60.0 15.0 2

! alpha helix with J =    3.3
 assi (resid 21 and name C)  (resid  22 and name N)
 (resid  22 and name CA) (resid  22 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   8.6
 assi (resid 22 and name C) (resid  23 and name N)
 (resid  23 and name CA) (resid  23 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =  10.9
 assi (resid 24 and name C) (resid  25 and name N)
 (resid  25 and name CA) (resid  25 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.3
 assi (resid 26 and name C) (resid  27 and name N)
 (resid  27 and name CA) (resid  27 and name C) 1 -120.0 15.0 2

! Indeterminate phi-based on NOE intensity differences
 assi (resid 27 and name C) (resid   28 and name N)
 (resid   28 and name CA) (resid   28 and name C) 1 -90.0 90.0 2

! Indeterminate phi-based on NOE intensity differences
 assi (resid 28 and name C) (resid   29 and name N)
 (resid   29 and name CA) (resid   29 and name C) 1 -90.0 90.0 2

! alpha helix with J =    3.2
 assi (resid 31 and name C)  (resid  32 and name N)
 (resid  32 and name CA) (resid  32 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   9.1
 assi (resid 33 and name C) (resid  34 and name N)
 (resid  34 and name CA) (resid  34 and name C) 1 -120.0 15.0 2

! alpha helix with J =    4.6
 assi (resid 36 and name C)  (resid  37 and name N)
 (resid  37 and name CA) (resid  37 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   9.6
 assi (resid 38 and name C) (resid  39 and name N)
 (resid  39 and name CA) (resid  39 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.2
 assi (resid 39 and name C) (resid  40 and name N)
 (resid  40 and name CA) (resid  40 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.3
 assi (resid 40 and name C) (resid  41 and name N)
 (resid  41 and name CA) (resid  41 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.5
 assi (resid 41 and name C) (resid  42 and name N)
 (resid  42 and name CA) (resid  42 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   8.6
 assi (resid 42 and name C) (resid  43 and name N)
 (resid  43 and name CA) (resid  43 and name C) 1 -120.0 15.0 2

! alpha helix with J =    2.7
 assi (resid 43 and name C)  (resid  44 and name N)
 (resid  44 and name CA) (resid  44 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   9.5
 assi (resid 44 and name C) (resid  45 and name N)
 (resid  45 and name CA) (resid  45 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.5
 assi (resid 46 and name C) (resid  47 and name N)
 (resid  47 and name CA) (resid  47 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =  10.4
 assi (resid 47 and name C) (resid  48 and name N)
 (resid  48 and name CA) (resid  48 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 48 and name C) (resid  49 and name N)
 (resid  49 and name CA) (resid  49 and name C) 1 -120.0 15.0 2

! extended structure or beta sheet with  J =   9.3
 assi (resid 50 and name C) (resid  51 and name N)
 (resid  51 and name CA) (resid  51 and name C) 1 -120.0 15.0 2

! alpha helix with J =    2.4
 assi (resid 55 and name C)  (resid  56 and name N)
 (resid  56 and name CA) (resid  56 and name C) 1 -60.0 15.0 2

! alpha helix with J =    2.6
 assi (resid 56 and name C)  (resid  57 and name N)
 (resid  57 and name CA) (resid  57 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   8.1
 assi (resid 57 and name C) (resid  58 and name N)
 (resid  58 and name CA) (resid  58 and name C) 1 -120.0 30.0 2

! alpha helix with J =    4.4
 assi (resid 58 and name C)  (resid  59 and name N)
 (resid  59 and name CA) (resid  59 and name C) 1 -60.0 15.0 2

! alpha helix with J =    3.9
 assi (resid 59 and name C)  (resid  60 and name N)
 (resid  60 and name CA) (resid  60 and name C) 1 -60.0 15.0 2

! alpha helix with J =    4.5
 assi (resid 60 and name C)  (resid  61 and name N)
 (resid  61 and name CA) (resid  61 and name C) 1 -60.0 15.0 2

! alpha helix with J =    4.5
 assi (resid 61 and name C)  (resid  62 and name N)
 (resid  62 and name CA) (resid  62 and name C) 1 -60.0 15.0 2

! alpha helix with J =    4.7
 assi (resid 62 and name C)  (resid  63 and name N)
 (resid  63 and name CA) (resid  63 and name C) 1 -60.0 15.0 2

! alpha helix with J =    4.5
 assi (resid 63 and name C)  (resid  64 and name N)
 (resid  64 and name CA) (resid  64 and name C) 1 -60.0 15.0 2

! alpha helix with J =    4.9
 assi (resid 64 and name C)  (resid  65 and name N)
 (resid  65 and name CA) (resid  65 and name C) 1 -60.0 15.0 2

! alpha helix with J =    4.4
 assi (resid 65 and name C)  (resid  66 and name N)
 (resid  66 and name CA) (resid  66 and name C) 1 -60.0 15.0 2

! alpha helix with J =    5.0
 assi (resid 68 and name C)  (resid  69 and name N)
 (resid  69 and name CA) (resid  69 and name C) 1 -60.0 15.0 2

! extended structure or beta sheet with  J =   8.1
 assi (resid 74 and name C) (resid  75 and name N)
 (resid  75 and name CA) (resid  75 and name C) 1 -120.0 15.0 2

! Valines
assi (resid 58 and name N) (resid 58 and name CA)
         (resid 58 and name CB) (resid 58 and name CG1) 1.0 180.0 30.0 2

!Threonines

assi (resid 6 and name N) (resid 6 and name CA)
         (resid 6 and name CB) (resid 6 and name OG1) 1.0 90.0 90.0 2

assi (resid 11 and name N) (resid 11 and name CA)
         (resid 11 and name CB) (resid 11 and name OG1) 1.0 -90.0 90.0 2

assi (resid 16 and name N) (resid 16 and name CA)
         (resid 16 and name CB) (resid 16 and name OG1) 1.0 180.0 30.0 2

assi (resid 43 and name N) (resid 43 and name CA)
         (resid 43 and name CB) (resid 43 and name OG1) 1.0 60.0 30.0 2

assi (resid 73 and name N) (resid 73 and name CA)
         (resid 73 and name CB) (resid 73 and name OG1) 1.0 90.0 90.0 2



! Ileucines
assi (resid 10 and name N) (resid 10 and name CA)
         (resid 10 and name CB) (resid 10 and name CG1) 1.0 180 30.0 2

assi (resid 19 and name N) (resid 19 and name CA)
         (resid 19 and name CB) (resid 19 and name CG1) 1.0 -60 30.0 2

assi (resid 25 and name N) (resid 25 and name CA)
         (resid 25 and name CB) (resid 25 and name CG1) 1.0 60 30.0 2

assi (resid 39 and name N) (resid 39 and name CA)
         (resid 39 and name CB) (resid 39 and name CG1) 1.0 -60 30.0 2

assi (resid 40 and name N) (resid 40 and name CA)
         (resid 40 and name CB) (resid 40 and name CG1) 1.0 -60 30.0 2
   

! Leucine chi-2

assi (resid 24 and name CA) (resid 24 and name CB)
         (resid 24 and name CG) (resid 24 and name CD1) 1.0 180.0 30.0 2

assi (resid 41 and name CA) (resid 41 and name CB)
         (resid 41 and name CG) (resid 41 and name CD1) 1.0 180.0 30.0 2

assi (resid 48 and name CA) (resid 48 and name CB)
         (resid 48 and name CG) (resid 48 and name CD1) 1.0 180.0 30.0 2

assi (resid 65 and name CA) (resid 65 and name CB)
         (resid 65 and name CG) (resid 65 and name CD1) 1.0 180.0 30.0 2

!Isoleucine chi-2

assi (resid 10 and name CA) (resid 10 and name CB)
         (resid 10 and name CG1) (resid 10 and name CD1) 1.0 180.0 30.0 2

assi (resid 19 and name CA) (resid 19 and name CB)
         (resid 19 and name CG1) (resid 19 and name CD1) 1.0 180.0 30.0 2

assi (resid 25 and name CA) (resid 25 and name CB)
         (resid 25 and name CG1) (resid 25 and name CD1) 1.0 180.0 30.0 2


!Methylenes

assi (resid 12 and name N) (resid 12 and name CA)
         (resid 12 and name CB) (resid 12 and name HB1) 1.0 180.0 30.0 2

assi (resid 15 and name N) (resid 15 and name CA)
         (resid 15 and name CB) (resid 15 and name HB1) 1.0 180.0 30.0 2

assi (resid 27 and name N) (resid 27 and name CA)
         (resid 27 and name CB) (resid 27 and name HB1) 1.0 -60.0 30.0 2

assi (resid 36 and name N) (resid 36 and name CA)
         (resid 36 and name CB) (resid 36 and name HB1) 1.0 180.0 30.0 2

assi (resid 41 and name N) (resid 41 and name CA)
         (resid 41 and name CB) (resid 41 and name HB1) 1.0 180.0 30.0 2

assi (resid 42 and name N) (resid 42 and name CA)
         (resid 42 and name CB) (resid 42 and name HB1) 1.0 60.0 30.0 2

assi (resid 46 and name N) (resid 46 and name CA)
         (resid 46 and name CB) (resid 46 and name HB1) 1.0 180.0 30.0 2

assi (resid 48 and name N) (resid 48 and name CA)
         (resid 48 and name CB) (resid 48 and name HB1) 1.0 180.0 30.0 2

assi (resid 49 and name N) (resid 49 and name CA)
         (resid 49 and name CB) (resid 49 and name HB1) 1.0 180.0 30.0 2

assi (resid 50 and name N) (resid 50 and name CA)
         (resid 50 and name CB) (resid 50 and name HB1) 1.0 180.0 30.0 2

assi (resid 55 and name N) (resid 55 and name CA)
         (resid 55 and name CB) (resid 55 and name HB1) 1.0 180.0 30.0 2

assi (resid 56 and name N) (resid 56 and name CA)
         (resid 56 and name CB) (resid 56 and name HB1) 1.0 60.0 30.0 2

assi (resid 57 and name N) (resid 57 and name CA)
         (resid 57 and name CB) (resid 57 and name HB1) 1.0 -60.0 30.0 2

assi (resid 62 and name N) (resid 62 and name CA)
         (resid 62 and name CB) (resid 62 and name HB1) 1.0 180.0 30.0 2

assi (resid 65 and name N) (resid 65 and name CA)
         (resid 65 and name CB) (resid 65 and name HB1) 1.0 180.0 30.0 2

assi (resid 66 and name N) (resid 66 and name CA)
         (resid 66 and name CB) (resid 66 and name HB1) 1.0 180.0 30.0 2








!hbonds

!-------------------------------------------


assign (resid 23 and name HN and segid "    ") (resid 20 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 23 and name N and segid "    ") (resid 20 and name O and segid "    ") 2.7 0.0 0.5
        

assign (resid 24 and name HN and segid "    ") (resid 21 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 24 and name N and segid "    ") (resid 21 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 25 and name HN and segid "    ") (resid 42 and name O and segid "    ")  1.7 0.0 0.5
assign (resid 25 and name N and segid "    ") (resid 42 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 26 and name HN and segid "    ") (resid 42 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 26 and name N and segid "    ") (resid 42 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 28 and name HN and segid "    ") (resid 40 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 28 and name N and segid "    ") (resid 40 and name O and segid "    ") 2.7 0.0 0.5
        

assign ( (resid 30 and name HD21 and segid "    ") OR (resid 30 and name HD22 and segid "    "))
((resid 12 and name SG) OR 
 (resid 34 and name O and segid "    ") OR (resid 36 and name O and segid "    ") ) 1.7 0.0 0.5
assign ( (resid 30 and name ND2 and segid "    ") OR (resid 30 and name ND2 and segid "    "))
( (resid 12 and name SG) OR
 (resid 34 and name O and segid "    ") OR (resid 36 and name O and segid "    ") ) 2.7 0.0 0.5


assign (resid 38 and name HN and segid "    ") (resid 36 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 38 and name N and segid "    ") (resid 36 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 39 and name HN and segid "    ") (resid 51 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 39 and name N and segid "    ") (resid 51 and name O and segid "    ") 2.7 0.0 0.5



assign (resid 40 and name HN and segid "    ") (resid 28 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 40 and name N and segid "    ") (resid 28 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 41 and name HN and segid "    ") (resid 49 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 41 and name N and segid "    ") (resid 49 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 42 and name HN and segid "    ") (resid 26 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 42 and name N and segid "    ") (resid 26 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 43 and name HN and segid "    ") (resid 47 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 43 and name N and segid "    ") (resid 47 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 44 and name HN and segid "    ") (resid 23 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 44 and name N and segid "    ") (resid 23 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 46 and name HN and segid "    ") (resid 43 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 46 and name N and segid "    ") (resid 43 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 47 and name HN and segid "    ")
((resid 43 and name OG1 and segid "    ") OR (resid 43 and name O)) 1.7 0.0 0.5
assign (resid 47 and name N and segid "    ")
( (resid 43 and name OG1 and segid "    ") OR (resid 43 and name O)) 2.7 0.0 0.5


assign (resid 49 and name HN and segid "    ") (resid 41 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 49 and name N and segid "    ") (resid 41 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 51 and name HN and segid "    ") (resid 39 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 51 and name N and segid "    ") (resid 39 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 52 and name HN and segid "    ") (resid 55 and name OE2 and segid "    ") 1.7 0.0 0.5
assign (resid 52 and name N and segid "    ") (resid 55 and name OE2 and segid "    ") 2.7 0.0 0.5


assign (resid 55 and name HN and segid "    ") (resid 52 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 55 and name N and segid "    ") (resid 52 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 57 and name HE1 and segid "    ") (resid 55 and name OE1 and segid "    ") 1.7 0.0 0.5
assign (resid 57 and name NE1 and segid "    ") (resid 55 and name OE1 and segid "    ") 2.7 0.0 0.5


assign (resid 58 and name HN and segid "    ") (resid 55 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 58 and name N and segid "    ") (resid 55 and name O and segid "    ") 2.7 0.0 0.5


assign (resid 59 and name HN and segid "    ")
( (resid 55 and name O and segid "    ") OR (resid 56 and name O and segid "    ")) 1.7 0.0 0.5
assign (resid 59 and name N and segid "    ")
( (resid 55 and name O and segid "    ") OR (resid 56 and name O and segid "    ")) 2.7 0.0 0.5

assign (resid 60 and name HN and segid "    ") (resid 56 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 60 and name N and segid "    ") (resid 56 and name O and segid "    ")  2.7 0.0 0.5


assign (resid 61 and name HN and segid "    ") (resid 57 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 61 and name N and segid "    ") (resid 57 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 62 and name HN and segid "    ") (resid 58 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 62 and name N and segid "    ") (resid 58 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 63 and name HN and segid "    ") (resid 59 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 63 and name N and segid "    ") (resid 59 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 64 and name HN and segid "    ") (resid 60 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 64 and name N and segid "    ") (resid 60 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 65 and name HN and segid "    ") (resid 61 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 65 and name N and segid "    ") (resid 61 and name O and segid "    ") 2.7 0.0 0.5

assign (resid 66 and name HN and segid "    ") (resid 62 and name O and segid "    ") 1.7 0.0 0.5
assign (resid 66 and name N and segid "    ") (resid 62 and name O and segid "    ") 2.7 0.0 0.5
        

assign (resid 67 and name HN and segid "    ")
( (resid 63 and name O and segid "    ") OR (resid 64 and name O and segid "    ")) 1.7 0.0 0.5
assign (resid 67 and name N and segid "    ")
( (resid 63 and name O and segid "    ") OR (resid 64 and name O and segid "    ")) 2.7 0.0 0.5




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   2H    MET   0          2H        MET   0  24.521   0.003   0.355
    2   3H    MET   0          3H        MET   0  23.253   1.084   0.767
    3   1H    MET   0          1H        MET   0  24.640   1.665  -0.059
    4    HA   MET   0           HA       MET   0  24.437   2.083   2.405
    5   1HB   MET   0          1HB       MET   0  24.803  -0.866   2.194
    6   2HB   MET   0          2HB       MET   0  25.655  -0.033   3.486
    7   1HG   MET   0          1HG       MET   0  23.379   0.991   4.062
    8   2HG   MET   0          2HG       MET   0  22.706  -0.271   3.031
    9   1HE   MET   0          1HE       MET   0  24.432  -2.657   3.361
   10   2HE   MET   0          2HE       MET   0  25.746  -1.992   4.330
   11   3HE   MET   0          3HE       MET   0  24.731  -3.277   4.985
   12    H    GLN   1           H        GLN   1  25.923   3.432   1.097
   13    HA   GLN   1           HA       GLN   1  28.613   2.442   0.708
   14   1HB   GLN   1          1HB       GLN   1  27.559   5.258   0.389
   15   2HB   GLN   1          2HB       GLN   1  29.083   4.632  -0.225
   16   1HG   GLN   1          1HG       GLN   1  26.741   3.130  -1.115
   17   2HG   GLN   1          2HG       GLN   1  26.762   4.814  -1.638
   18   1HE2  GLN   1          2HE2      GLN   1  28.314   1.721  -1.852
   19   2HE2  GLN   1          1HE2      GLN   1  29.345   2.097  -3.185
   20    H    HIS   2           H        HIS   2  27.029   4.903   2.730
   21    HA   HIS   2           HA       HIS   2  28.925   4.439   4.849
   22   1HB   HIS   2          1HB       HIS   2  28.782   7.291   3.955
   23   2HB   HIS   2          2HB       HIS   2  30.037   6.470   4.879
   24    HD1  HIS   2           HD1      HIS   2  32.055   5.760   3.608
   25    HD2  HIS   2           HD2      HIS   2  28.826   6.549   1.113
   26    HE1  HIS   2           HE1      HIS   2  32.957   5.590   1.267
   27    HE2  HIS   2           HE2      HIS   2  30.999   6.128  -0.225
   28    H    HIS   3           H        HIS   3  26.529   6.802   3.672
   29    HA   HIS   3           HA       HIS   3  25.149   6.541   6.261
   30   1HB   HIS   3          1HB       HIS   3  24.429   9.004   5.738
   31   2HB   HIS   3          2HB       HIS   3  25.997   8.686   6.472
   32    HD1  HIS   3           HD1      HIS   3  27.904   9.802   5.367
   33    HD2  HIS   3           HD2      HIS   3  24.701   9.281   2.772
   34    HE1  HIS   3           HE1      HIS   3  28.588  10.921   3.221
   35    HE2  HIS   3           HE2      HIS   3  26.674  10.509   1.637
   36    H    GLY   4           H        GLY   4  22.946   6.382   6.210
   37   1HA   GLY   4          1HA       GLY   4  20.814   6.706   5.150
   38   2HA   GLY   4          2HA       GLY   4  21.624   6.640   3.592
   39    H    VAL   5           H        VAL   5  19.677   4.966   5.659
   40    HA   VAL   5           HA       VAL   5  20.515   2.370   4.540
   41    HB   VAL   5           HB       VAL   5  19.507   1.279   6.470
   42   1HG1  VAL   5          1HG1      VAL   5  21.726   3.177   6.686
   43   2HG1  VAL   5          2HG1      VAL   5  21.033   2.691   8.233
   44   3HG1  VAL   5          3HG1      VAL   5  21.645   1.468   7.119
   45   1HG2  VAL   5          1HG2      VAL   5  18.180   3.733   6.796
   46   2HG2  VAL   5          2HG2      VAL   5  18.028   2.283   7.789
   47   3HG2  VAL   5          3HG2      VAL   5  19.201   3.528   8.220
   48    H    THR   6           H        THR   6  19.002   3.778   2.880
   49    HA   THR   6           HA       THR   6  16.307   2.630   3.185
   50    HB   THR   6           HB       THR   6  16.272   4.812   1.342
   51    HG1  THR   6           HG1      THR   6  18.019   5.697   2.392
   52   1HG2  THR   6          1HG2      THR   6  14.336   4.067   2.617
   53   2HG2  THR   6          2HG2      THR   6  15.108   4.603   4.108
   54   3HG2  THR   6          3HG2      THR   6  14.661   5.781   2.874
   55    H    LYS   7           H        LYS   7  15.389   3.241   0.619
   56    HA   LYS   7           HA       LYS   7  16.969   2.644  -1.537
   57   1HB   LYS   7          1HB       LYS   7  16.384   0.168  -1.830
   58   2HB   LYS   7          2HB       LYS   7  17.663   0.567  -0.689
   59   1HG   LYS   7          1HG       LYS   7  15.948   0.428   1.134
   60   2HG   LYS   7          2HG       LYS   7  14.824  -0.207  -0.068
   61   1HD   LYS   7          1HD       LYS   7  15.639  -2.233   0.369
   62   2HD   LYS   7          2HD       LYS   7  17.147  -1.713  -0.390
   63   1HE   LYS   7          1HE       LYS   7  17.737  -0.743   1.909
   64   2HE   LYS   7          2HE       LYS   7  16.414  -1.735   2.521
   65   1HZ   LYS   7          1HZ       LYS   7  17.712  -3.556   1.137
   66   2HZ   LYS   7          2HZ       LYS   7  19.019  -2.543   1.487
   67   3HZ   LYS   7          3HZ       LYS   7  18.102  -3.205   2.745
   68    H    CYS   8           H        CYS   8  15.582   3.787  -2.765
   69    HA   CYS   8           HA       CYS   8  13.770   4.263  -4.048
   70   1HB   CYS   8          1HB       CYS   8  13.772   2.125  -4.989
   71   2HB   CYS   8          2HB       CYS   8  13.315   1.354  -3.474
   72    H    ASN   9           H        ASN   9  12.001   5.437  -3.636
   73    HA   ASN   9           HA       ASN   9  11.069   5.923  -1.092
   74   1HB   ASN   9          1HB       ASN   9   8.950   6.763  -2.359
   75   2HB   ASN   9          2HB       ASN   9  10.496   7.555  -2.644
   76   1HD2  ASN   9          2HD2      ASN   9   8.288   5.122  -3.903
   77   2HD2  ASN   9          1HD2      ASN   9   8.755   5.291  -5.558
   78    H    ILE  10           H        ILE  10   9.739   3.698  -3.508
   79    HA   ILE  10           HA       ILE  10   8.245   2.378  -1.344
   80    HB   ILE  10           HB       ILE  10   6.686   3.732  -2.700
   81   1HG1  ILE  10          1HG1      ILE  10   6.056   0.902  -3.400
   82   2HG1  ILE  10          2HG1      ILE  10   6.290   1.298  -1.699
   83   1HG2  ILE  10          1HG2      ILE  10   8.150   3.250  -4.821
   84   2HG2  ILE  10          2HG2      ILE  10   7.063   1.871  -4.997
   85   3HG2  ILE  10          3HG2      ILE  10   6.412   3.511  -4.968
   86   1HD1  ILE  10          1HD1      ILE  10   4.560   3.029  -1.897
   87   2HD1  ILE  10          2HD1      ILE  10   4.290   2.536  -3.568
   88   3HD1  ILE  10          3HD1      ILE  10   3.958   1.409  -2.252
   89    H    THR  11           H        THR  11   9.639   0.667  -1.158
   90    HA   THR  11           HA       THR  11  10.168  -0.917  -3.575
   91    HB   THR  11           HB       THR  11  11.621  -0.508  -1.006
   92    HG1  THR  11           HG1      THR  11  13.382  -0.671  -2.544
   93   1HG2  THR  11          1HG2      THR  11  11.926  -3.027  -2.626
   94   2HG2  THR  11          2HG2      THR  11  12.991  -2.492  -1.327
   95   3HG2  THR  11          3HG2      THR  11  11.317  -2.923  -0.974
   96    H    CYS  12           H        CYS  12   9.125  -2.766  -3.877
   97    HA   CYS  12           HA       CYS  12   7.300  -3.740  -1.869
   98   1HB   CYS  12          1HB       CYS  12   7.931  -4.964  -4.559
   99   2HB   CYS  12          2HB       CYS  12   6.504  -5.248  -3.568
  100    H    SER  13           H        SER  13   9.015  -4.275  -0.306
  101    HA   SER  13           HA       SER  13  10.893  -6.333  -0.803
  102   1HB   SER  13          1HB       SER  13  10.257  -4.603   1.340
  103   2HB   SER  13          2HB       SER  13  10.143  -6.243   1.974
  104    HG   SER  13           HG       SER  13  12.314  -4.909   1.686
  105    H    LYS  14           H        LYS  14   7.583  -6.307   0.354
  106    HA   LYS  14           HA       LYS  14   7.437  -9.189  -0.066
  107   1HB   LYS  14          1HB       LYS  14   6.541  -7.871   2.505
  108   2HB   LYS  14          2HB       LYS  14   6.292  -9.559   2.078
  109   1HG   LYS  14          1HG       LYS  14   9.068  -8.502   2.084
  110   2HG   LYS  14          2HG       LYS  14   8.275  -8.806   3.631
  111   1HD   LYS  14          1HD       LYS  14   8.001 -11.096   3.159
  112   2HD   LYS  14          2HD       LYS  14   8.346 -10.866   1.443
  113   1HE   LYS  14          1HE       LYS  14  10.469 -11.373   1.852
  114   2HE   LYS  14          2HE       LYS  14  10.593  -9.906   2.821
  115   1HZ   LYS  14          1HZ       LYS  14   9.765 -12.576   3.827
  116   2HZ   LYS  14          2HZ       LYS  14  11.276 -11.853   4.072
  117   3HZ   LYS  14          3HZ       LYS  14   9.890 -11.169   4.757
  118    H    MET  15           H        MET  15   4.919  -9.716   0.722
  119    HA   MET  15           HA       MET  15   3.334  -7.956  -1.014
  120   1HB   MET  15          1HB       MET  15   3.208 -10.855  -0.329
  121   2HB   MET  15          2HB       MET  15   1.706 -10.034  -0.735
  122   1HG   MET  15          1HG       MET  15   2.470 -10.962  -2.739
  123   2HG   MET  15          2HG       MET  15   2.865  -9.247  -2.840
  124   1HE   MET  15          1HE       MET  15   4.557  -8.657  -4.006
  125   2HE   MET  15          2HE       MET  15   5.758  -8.404  -2.740
  126   3HE   MET  15          3HE       MET  15   6.168  -9.357  -4.166
  127    H    THR  16           H        THR  16   1.238  -7.293  -0.390
  128    HA   THR  16           HA       THR  16   0.977  -6.920   2.488
  129    HB   THR  16           HB       THR  16   0.721  -5.071   0.698
  130    HG1  THR  16           HG1      THR  16  -0.732  -4.013   2.025
  131   1HG2  THR  16          1HG2      THR  16  -1.078  -6.571  -0.496
  132   2HG2  THR  16          2HG2      THR  16  -2.155  -5.784   0.657
  133   3HG2  THR  16          3HG2      THR  16  -1.208  -4.813  -0.471
  134    H    SER  17           H        SER  17  -1.673  -6.658   2.896
  135    HA   SER  17           HA       SER  17  -2.674  -9.380   2.409
  136   1HB   SER  17          1HB       SER  17  -4.254  -8.460   4.414
  137   2HB   SER  17          2HB       SER  17  -2.739  -9.323   4.681
  138    HG   SER  17           HG       SER  17  -3.294  -6.976   5.562
  139    H    LYS  18           H        LYS  18  -5.176  -9.456   2.549
  140    HA   LYS  18           HA       LYS  18  -6.196  -8.041   0.337
  141   1HB   LYS  18          1HB       LYS  18  -6.954 -10.275   1.654
  142   2HB   LYS  18          2HB       LYS  18  -8.133  -9.137   2.290
  143   1HG   LYS  18          1HG       LYS  18  -8.003  -8.753  -0.510
  144   2HG   LYS  18          2HG       LYS  18  -8.127 -10.487  -0.207
  145   1HD   LYS  18          1HD       LYS  18 -10.183 -10.302   0.808
  146   2HD   LYS  18          2HD       LYS  18  -9.912  -8.626   1.290
  147   1HE   LYS  18          1HE       LYS  18 -11.398  -8.291  -0.404
  148   2HE   LYS  18          2HE       LYS  18  -9.895  -8.250  -1.324
  149   1HZ   LYS  18          1HZ       LYS  18 -10.259 -10.697  -1.702
  150   2HZ   LYS  18          2HZ       LYS  18 -11.822 -10.486  -1.091
  151   3HZ   LYS  18          3HZ       LYS  18 -11.342  -9.665  -2.491
  152    H    ILE  19           H        ILE  19  -7.425  -6.233   0.157
  153    HA   ILE  19           HA       ILE  19  -8.345  -4.894   2.592
  154    HB   ILE  19           HB       ILE  19  -6.879  -3.342   0.473
  155   1HG1  ILE  19          1HG1      ILE  19  -5.729  -4.297   3.102
  156   2HG1  ILE  19          2HG1      ILE  19  -5.379  -5.044   1.547
  157   1HG2  ILE  19          1HG2      ILE  19  -7.846  -2.754   3.255
  158   2HG2  ILE  19          2HG2      ILE  19  -6.667  -1.736   2.428
  159   3HG2  ILE  19          3HG2      ILE  19  -8.280  -1.946   1.749
  160   1HD1  ILE  19          1HD1      ILE  19  -4.829  -2.387   1.107
  161   2HD1  ILE  19          2HD1      ILE  19  -4.270  -2.659   2.757
  162   3HD1  ILE  19          3HD1      ILE  19  -3.653  -3.658   1.441
  163    HA   PRO  20           HA       PRO  20 -12.054  -4.269   0.289
  164   1HB   PRO  20          1HB       PRO  20 -12.194  -1.680   1.733
  165   2HB   PRO  20          2HB       PRO  20 -13.376  -2.984   1.653
  166   1HG   PRO  20          1HG       PRO  20 -11.915  -2.571   3.844
  167   2HG   PRO  20          2HG       PRO  20 -12.329  -4.201   3.297
  168   1HD   PRO  20          1HD       PRO  20  -9.743  -2.733   3.081
  169   2HD   PRO  20          2HD       PRO  20 -10.039  -4.459   3.370
  170    H    VAL  21           H        VAL  21 -12.106  -3.660  -1.771
  171    HA   VAL  21           HA       VAL  21 -10.383  -1.835  -2.976
  172    HB   VAL  21           HB       VAL  21 -11.749  -3.611  -4.140
  173   1HG1  VAL  21          1HG1      VAL  21 -13.885  -2.003  -3.150
  174   2HG1  VAL  21          2HG1      VAL  21 -13.948  -2.015  -4.913
  175   3HG1  VAL  21          3HG1      VAL  21 -13.964  -3.536  -4.020
  176   1HG2  VAL  21          1HG2      VAL  21 -10.525  -1.529  -5.162
  177   2HG2  VAL  21          2HG2      VAL  21 -11.539  -2.561  -6.170
  178   3HG2  VAL  21          3HG2      VAL  21 -12.166  -1.028  -5.566
  179    H    ALA  22           H        ALA  22 -13.292  -1.308  -1.214
  180    HA   ALA  22           HA       ALA  22 -14.015   1.203  -2.326
  181   1HB   ALA  22          1HB       ALA  22 -15.511  -0.304  -0.987
  182   2HB   ALA  22          2HB       ALA  22 -14.645   0.232   0.452
  183   3HB   ALA  22          3HB       ALA  22 -15.546   1.396  -0.520
  184    H    LEU  23           H        LEU  23 -11.345   0.324  -0.554
  185    HA   LEU  23           HA       LEU  23 -11.095   2.957   0.724
  186   1HB   LEU  23          1HB       LEU  23  -9.742   0.318   1.204
  187   2HB   LEU  23          2HB       LEU  23  -9.073   1.813   1.830
  188    HG   LEU  23           HG       LEU  23 -10.600   0.346   3.343
  189   1HD1  LEU  23          1HD1      LEU  23  -9.875   3.010   3.327
  190   2HD1  LEU  23          2HD1      LEU  23 -11.620   3.053   3.573
  191   3HD1  LEU  23          3HD1      LEU  23 -10.596   2.130   4.674
  192   1HD2  LEU  23          1HD2      LEU  23 -12.403   0.265   1.590
  193   2HD2  LEU  23          2HD2      LEU  23 -12.929   0.740   3.204
  194   3HD2  LEU  23          3HD2      LEU  23 -12.719   1.963   1.951
  195    H    LEU  24           H        LEU  24 -10.070   1.175  -1.957
  196    HA   LEU  24           HA       LEU  24  -7.495   2.457  -2.241
  197   1HB   LEU  24          1HB       LEU  24  -8.981   0.919  -4.358
  198   2HB   LEU  24          2HB       LEU  24  -7.255   1.202  -4.246
  199    HG   LEU  24           HG       LEU  24  -8.880  -0.548  -2.398
  200   1HD1  LEU  24          1HD1      LEU  24  -6.940  -1.186  -4.610
  201   2HD1  LEU  24          2HD1      LEU  24  -7.504  -2.360  -3.420
  202   3HD1  LEU  24          3HD1      LEU  24  -8.651  -1.605  -4.527
  203   1HD2  LEU  24          1HD2      LEU  24  -6.589   0.784  -1.762
  204   2HD2  LEU  24          2HD2      LEU  24  -7.109  -0.738  -1.038
  205   3HD2  LEU  24          3HD2      LEU  24  -5.959  -0.744  -2.377
  206    H    ILE  25           H        ILE  25  -6.954   4.080  -3.665
  207    HA   ILE  25           HA       ILE  25  -9.204   5.428  -5.013
  208    HB   ILE  25           HB       ILE  25  -7.967   7.573  -4.627
  209   1HG1  ILE  25          1HG1      ILE  25  -6.443   6.010  -2.541
  210   2HG1  ILE  25          2HG1      ILE  25  -5.775   6.385  -4.127
  211   1HG2  ILE  25          1HG2      ILE  25  -9.142   5.948  -2.414
  212   2HG2  ILE  25          2HG2      ILE  25  -8.524   7.568  -2.089
  213   3HG2  ILE  25          3HG2      ILE  25  -9.817   7.337  -3.267
  214   1HD1  ILE  25          1HD1      ILE  25  -6.797   8.775  -2.959
  215   2HD1  ILE  25          2HD1      ILE  25  -5.736   7.965  -1.807
  216   3HD1  ILE  25          3HD1      ILE  25  -5.141   8.376  -3.417
  217    H    HIS  26           H        HIS  26  -5.797   4.582  -5.069
  218    HA   HIS  26           HA       HIS  26  -5.803   4.778  -7.964
  219   1HB   HIS  26          1HB       HIS  26  -4.156   6.538  -6.187
  220   2HB   HIS  26          2HB       HIS  26  -3.495   6.009  -7.731
  221    HD1  HIS  26           HD1      HIS  26  -5.856   6.282  -9.581
  222    HD2  HIS  26           HD2      HIS  26  -4.951   9.083  -6.648
  223    HE1  HIS  26           HE1      HIS  26  -6.941   8.422 -10.337
  224    HE2  HIS  26           HE2      HIS  26  -6.450  10.080  -8.505
  225    H    TYR  27           H        TYR  27  -4.084   3.625  -8.963
  226    HA   TYR  27           HA       TYR  27  -2.485   1.941  -7.164
  227   1HB   TYR  27          1HB       TYR  27  -3.095  -0.047  -8.201
  228   2HB   TYR  27          2HB       TYR  27  -4.618   0.838  -8.187
  229    HD1  TYR  27           HD1      TYR  27  -1.725  -0.072 -10.330
  230    HD2  TYR  27           HD2      TYR  27  -5.743   1.347 -10.198
  231    HE1  TYR  27           HE1      TYR  27  -1.891  -0.336 -12.773
  232    HE2  TYR  27           HE2      TYR  27  -5.921   1.088 -12.642
  233    HH   TYR  27           HH       TYR  27  -4.036  -0.718 -14.445
  234    H    GLN  28           H        GLN  28  -0.401   2.116  -7.622
  235    HA   GLN  28           HA       GLN  28   0.392   3.054 -10.286
  236   1HB   GLN  28          1HB       GLN  28   2.530   2.872  -8.320
  237   2HB   GLN  28          2HB       GLN  28   2.004   4.247  -9.281
  238   1HG   GLN  28          1HG       GLN  28   0.007   4.173  -7.506
  239   2HG   GLN  28          2HG       GLN  28   1.293   3.470  -6.526
  240   1HE2  GLN  28          2HE2      GLN  28   0.333   5.744  -5.628
  241   2HE2  GLN  28          1HE2      GLN  28   1.404   7.065  -5.929
  242    H    GLN  29           H        GLN  29   2.989   2.225 -10.411
  243    HA   GLN  29           HA       GLN  29   2.855  -0.708 -10.256
  244   1HB   GLN  29          1HB       GLN  29   2.812   0.839 -12.623
  245   2HB   GLN  29          2HB       GLN  29   4.408   0.107 -12.528
  246   1HG   GLN  29          1HG       GLN  29   3.572  -1.789 -13.286
  247   2HG   GLN  29          2HG       GLN  29   2.538  -1.897 -11.863
  248   1HE2  GLN  29          2HE2      GLN  29   1.638  -2.994 -14.128
  249   2HE2  GLN  29          1HE2      GLN  29   0.365  -2.049 -14.814
  250    H    ASN  30           H        ASN  30   4.734  -1.745  -9.729
  251    HA   ASN  30           HA       ASN  30   6.700  -0.305  -8.322
  252   1HB   ASN  30          1HB       ASN  30   6.343  -2.562  -7.685
  253   2HB   ASN  30          2HB       ASN  30   6.583  -3.146  -9.328
  254   1HD2  ASN  30          2HD2      ASN  30   8.060  -2.304  -6.366
  255   2HD2  ASN  30          1HD2      ASN  30   9.687  -2.676  -6.811
  256    H    GLN  31           H        GLN  31   8.732   0.370  -8.841
  257    HA   GLN  31           HA       GLN  31   9.298   0.748 -11.641
  258   1HB   GLN  31          1HB       GLN  31  10.439   1.721  -9.068
  259   2HB   GLN  31          2HB       GLN  31  11.486   1.738 -10.480
  260   1HG   GLN  31          1HG       GLN  31   9.338   2.897 -11.550
  261   2HG   GLN  31          2HG       GLN  31   9.094   3.359  -9.866
  262   1HE2  GLN  31          2HE2      GLN  31  10.953   4.388  -8.787
  263   2HE2  GLN  31          1HE2      GLN  31  11.954   5.447  -9.715
  264    H    ALA  32           H        ALA  32  10.843  -0.226 -12.856
  265    HA   ALA  32           HA       ALA  32  11.761  -2.785 -12.114
  266   1HB   ALA  32          1HB       ALA  32  12.329  -0.955 -14.410
  267   2HB   ALA  32          2HB       ALA  32  13.262  -2.437 -14.202
  268   3HB   ALA  32          3HB       ALA  32  11.511  -2.517 -14.399
  269    H    SER  33           H        SER  33  12.896   0.250 -11.263
  270    HA   SER  33           HA       SER  33  15.563  -0.830 -10.630
  271   1HB   SER  33          1HB       SER  33  16.548   1.223 -11.060
  272   2HB   SER  33          2HB       SER  33  15.256   1.219 -12.260
  273    HG   SER  33           HG       SER  33  15.229   2.490  -9.723
  274    H    CYS  34           H        CYS  34  12.916  -0.805  -9.147
  275    HA   CYS  34           HA       CYS  34  13.783   0.651  -6.740
  276   1HB   CYS  34          1HB       CYS  34  11.185   0.239  -8.008
  277   2HB   CYS  34          2HB       CYS  34  11.171  -0.151  -6.291
  278    H    GLY  35           H        GLY  35  11.535  -2.064  -7.094
  279   1HA   GLY  35          1HA       GLY  35  13.376  -3.834  -5.683
  280   2HA   GLY  35          2HA       GLY  35  11.882  -3.433  -4.851
  281    H    LYS  36           H        LYS  36  11.034  -5.492  -4.864
  282    HA   LYS  36           HA       LYS  36  10.987  -7.256  -7.024
  283   1HB   LYS  36          1HB       LYS  36   8.884  -7.006  -4.867
  284   2HB   LYS  36          2HB       LYS  36   9.223  -8.428  -5.843
  285   1HG   LYS  36          1HG       LYS  36  11.544  -7.422  -4.387
  286   2HG   LYS  36          2HG       LYS  36  10.214  -7.943  -3.351
  287   1HD   LYS  36          1HD       LYS  36  10.168 -10.107  -4.476
  288   2HD   LYS  36          2HD       LYS  36  11.474  -9.588  -5.545
  289   1HE   LYS  36          1HE       LYS  36  13.058  -9.674  -3.873
  290   2HE   LYS  36          2HE       LYS  36  11.866  -9.472  -2.590
  291   1HZ   LYS  36          1HZ       LYS  36  11.454 -11.874  -4.083
  292   2HZ   LYS  36          2HZ       LYS  36  12.993 -11.825  -3.384
  293   3HZ   LYS  36          3HZ       LYS  36  11.617 -11.660  -2.414
  294    H    ARG  37           H        ARG  37   9.827  -7.381  -8.841
  295    HA   ARG  37           HA       ARG  37   8.240  -5.222  -9.713
  296   1HB   ARG  37          1HB       ARG  37   9.526  -7.201 -10.986
  297   2HB   ARG  37          2HB       ARG  37   7.900  -7.867 -11.018
  298   1HG   ARG  37          1HG       ARG  37   7.934  -5.080 -11.796
  299   2HG   ARG  37          2HG       ARG  37   8.987  -6.067 -12.812
  300   1HD   ARG  37          1HD       ARG  37   6.074  -6.591 -12.224
  301   2HD   ARG  37          2HD       ARG  37   6.731  -5.957 -13.732
  302    HE   ARG  37           HE       ARG  37   6.633  -8.686 -12.924
  303   1HH1  ARG  37          1HH1      ARG  37   8.520  -6.376 -14.722
  304   2HH1  ARG  37          2HH1      ARG  37   9.227  -7.568 -15.761
  305   1HH2  ARG  37          1HH2      ARG  37   7.559 -10.264 -14.287
  306   2HH2  ARG  37          2HH2      ARG  37   8.679  -9.778 -15.516
  307    H    ALA  38           H        ALA  38   6.585  -4.896  -8.211
  308    HA   ALA  38           HA       ALA  38   4.410  -6.878  -8.352
  309   1HB   ALA  38          1HB       ALA  38   5.674  -6.702  -6.117
  310   2HB   ALA  38          2HB       ALA  38   4.836  -5.161  -5.932
  311   3HB   ALA  38          3HB       ALA  38   3.911  -6.657  -6.088
  312    H    ILE  39           H        ILE  39   2.704  -5.152  -6.711
  313    HA   ILE  39           HA       ILE  39   2.202  -2.985  -8.647
  314    HB   ILE  39           HB       ILE  39   0.191  -4.728  -7.226
  315   1HG1  ILE  39          1HG1      ILE  39   1.406  -5.377  -9.462
  316   2HG1  ILE  39          2HG1      ILE  39  -0.329  -5.627  -9.295
  317   1HG2  ILE  39          1HG2      ILE  39  -0.168  -2.149  -8.721
  318   2HG2  ILE  39          2HG2      ILE  39  -1.477  -3.314  -8.531
  319   3HG2  ILE  39          3HG2      ILE  39  -0.741  -2.576  -7.109
  320   1HD1  ILE  39          1HD1      ILE  39   0.424  -3.003 -10.350
  321   2HD1  ILE  39          2HD1      ILE  39   0.861  -4.371 -11.374
  322   3HD1  ILE  39          3HD1      ILE  39  -0.817  -4.136 -10.887
  323    H    ILE  40           H        ILE  40   1.407  -1.030  -7.840
  324    HA   ILE  40           HA       ILE  40   1.848  -0.654  -4.958
  325    HB   ILE  40           HB       ILE  40   1.670   1.556  -6.991
  326   1HG1  ILE  40          1HG1      ILE  40   3.449  -0.191  -7.548
  327   2HG1  ILE  40          2HG1      ILE  40   4.008   1.468  -7.363
  328   1HG2  ILE  40          1HG2      ILE  40   2.663   1.295  -4.176
  329   2HG2  ILE  40          2HG2      ILE  40   3.228   2.598  -5.222
  330   3HG2  ILE  40          3HG2      ILE  40   1.512   2.450  -4.848
  331   1HD1  ILE  40          1HD1      ILE  40   4.200  -0.692  -5.280
  332   2HD1  ILE  40          2HD1      ILE  40   5.517  -0.110  -6.300
  333   3HD1  ILE  40          3HD1      ILE  40   4.779   0.965  -5.113
  334    H    LEU  41           H        LEU  41   0.143  -0.335  -3.695
  335    HA   LEU  41           HA       LEU  41  -2.377   0.535  -4.940
  336   1HB   LEU  41          1HB       LEU  41  -1.965  -1.033  -2.396
  337   2HB   LEU  41          2HB       LEU  41  -3.517  -0.577  -3.077
  338    HG   LEU  41           HG       LEU  41  -1.520  -2.468  -4.324
  339   1HD1  LEU  41          1HD1      LEU  41  -4.126  -2.871  -2.889
  340   2HD1  LEU  41          2HD1      LEU  41  -3.447  -4.081  -3.977
  341   3HD1  LEU  41          3HD1      LEU  41  -2.555  -3.590  -2.536
  342   1HD2  LEU  41          1HD2      LEU  41  -4.152  -1.385  -5.287
  343   2HD2  LEU  41          2HD2      LEU  41  -2.594  -1.382  -6.114
  344   3HD2  LEU  41          3HD2      LEU  41  -3.471  -2.894  -5.892
  345    H    GLU  42           H        GLU  42  -3.045   2.504  -4.476
  346    HA   GLU  42           HA       GLU  42  -2.112   3.768  -1.984
  347   1HB   GLU  42          1HB       GLU  42  -1.300   4.853  -4.052
  348   2HB   GLU  42          2HB       GLU  42  -2.964   5.098  -4.564
  349   1HG   GLU  42          1HG       GLU  42  -3.335   6.493  -2.559
  350   2HG   GLU  42          2HG       GLU  42  -1.627   6.314  -2.158
  351    H    THR  43           H        THR  43  -3.612   4.208  -0.497
  352    HA   THR  43           HA       THR  43  -6.434   4.071  -1.303
  353    HB   THR  43           HB       THR  43  -6.953   3.479   0.951
  354    HG1  THR  43           HG1      THR  43  -5.780   4.190   2.516
  355   1HG2  THR  43          1HG2      THR  43  -4.631   2.052  -0.222
  356   2HG2  THR  43          2HG2      THR  43  -5.126   1.656   1.423
  357   3HG2  THR  43          3HG2      THR  43  -6.272   1.484   0.093
  358    H    ARG  44           H        ARG  44  -7.946   5.483  -0.088
  359    HA   ARG  44           HA       ARG  44  -7.311   8.187  -0.435
  360   1HB   ARG  44          1HB       ARG  44  -9.421   8.489   1.065
  361   2HB   ARG  44          2HB       ARG  44  -9.585   7.748  -0.522
  362   1HG   ARG  44          1HG       ARG  44 -10.396   5.887   0.363
  363   2HG   ARG  44          2HG       ARG  44  -9.023   5.746   1.462
  364   1HD   ARG  44          1HD       ARG  44 -10.657   7.851   2.409
  365   2HD   ARG  44          2HD       ARG  44 -11.714   6.489   2.041
  366    HE   ARG  44           HE       ARG  44  -9.439   5.639   3.505
  367   1HH1  ARG  44          1HH1      ARG  44 -12.485   7.289   3.852
  368   2HH1  ARG  44          2HH1      ARG  44 -12.683   6.848   5.516
  369   1HH2  ARG  44          1HH2      ARG  44  -9.689   5.051   5.696
  370   2HH2  ARG  44          2HH2      ARG  44 -11.093   5.576   6.564
  371    H    GLN  45           H        GLN  45  -6.469   6.081   2.066
  372    HA   GLN  45           HA       GLN  45  -6.095   8.278   3.978
  373   1HB   GLN  45          1HB       GLN  45  -7.103   5.739   4.349
  374   2HB   GLN  45          2HB       GLN  45  -5.442   5.577   4.901
  375   1HG   GLN  45          1HG       GLN  45  -5.803   6.787   6.741
  376   2HG   GLN  45          2HG       GLN  45  -6.803   7.965   5.892
  377   1HE2  GLN  45          2HE2      GLN  45  -8.257   7.986   7.633
  378   2HE2  GLN  45          1HE2      GLN  45  -9.383   6.699   7.882
  379    H    HIS  46           H        HIS  46  -4.422   7.870   1.627
  380    HA   HIS  46           HA       HIS  46  -2.232   7.828   1.011
  381   1HB   HIS  46          1HB       HIS  46  -1.898   8.569   3.922
  382   2HB   HIS  46          2HB       HIS  46  -0.613   8.656   2.724
  383    HD1  HIS  46           HD1      HIS  46  -3.495   9.684   0.965
  384    HD2  HIS  46           HD2      HIS  46  -1.049  11.488   3.798
  385    HE1  HIS  46           HE1      HIS  46  -3.900  12.155   0.727
  386    HE2  HIS  46           HE2      HIS  46  -2.471  13.220   2.509
  387    H    ARG  47           H        ARG  47  -3.174   5.322   1.359
  388    HA   ARG  47           HA       ARG  47  -1.122   3.904   2.914
  389   1HB   ARG  47          1HB       ARG  47  -3.679   3.486   3.177
  390   2HB   ARG  47          2HB       ARG  47  -3.514   2.582   1.678
  391   1HG   ARG  47          1HG       ARG  47  -1.505   1.487   3.062
  392   2HG   ARG  47          2HG       ARG  47  -2.570   1.939   4.396
  393   1HD   ARG  47          1HD       ARG  47  -3.522   0.406   1.990
  394   2HD   ARG  47          2HD       ARG  47  -2.895  -0.381   3.437
  395    HE   ARG  47           HE       ARG  47  -5.479   0.763   3.100
  396   1HH1  ARG  47          1HH1      ARG  47  -2.959   0.219   5.441
  397   2HH1  ARG  47          2HH1      ARG  47  -4.036   0.228   6.796
  398   1HH2  ARG  47          1HH2      ARG  47  -6.908   0.777   4.878
  399   2HH2  ARG  47          2HH2      ARG  47  -6.281   0.546   6.476
  400    H    LEU  48           H        LEU  48   0.622   3.606   1.663
  401    HA   LEU  48           HA       LEU  48   0.224   2.664  -1.094
  402   1HB   LEU  48          1HB       LEU  48   2.480   4.111   0.259
  403   2HB   LEU  48          2HB       LEU  48   2.737   3.243  -1.243
  404    HG   LEU  48           HG       LEU  48   1.022   5.666  -0.765
  405   1HD1  LEU  48          1HD1      LEU  48   3.511   5.022  -2.232
  406   2HD1  LEU  48          2HD1      LEU  48   2.412   6.185  -2.971
  407   3HD1  LEU  48          3HD1      LEU  48   3.055   6.482  -1.356
  408   1HD2  LEU  48          1HD2      LEU  48   0.672   3.522  -2.738
  409   2HD2  LEU  48          2HD2      LEU  48  -0.465   4.745  -2.175
  410   3HD2  LEU  48          3HD2      LEU  48   0.724   5.152  -3.411
  411    H    PHE  49           H        PHE  49  -0.002   0.484  -0.856
  412    HA   PHE  49           HA       PHE  49   2.207  -0.942   0.474
  413   1HB   PHE  49          1HB       PHE  49  -0.719  -1.538   0.245
  414   2HB   PHE  49          2HB       PHE  49   0.420  -2.871   0.404
  415    HD1  PHE  49           HD1      PHE  49   1.844  -3.044   2.428
  416    HD2  PHE  49           HD2      PHE  49  -1.277  -0.158   2.089
  417    HE1  PHE  49           HE1      PHE  49   1.880  -2.722   4.872
  418    HE2  PHE  49           HE2      PHE  49  -1.246   0.169   4.532
  419    HZ   PHE  49           HZ       PHE  49   0.335  -1.114   5.925
  420    H    CYS  50           H        CYS  50   2.663  -3.128  -0.475
  421    HA   CYS  50           HA       CYS  50   2.502  -2.984  -3.412
  422   1HB   CYS  50          1HB       CYS  50   4.678  -3.854  -1.557
  423   2HB   CYS  50          2HB       CYS  50   4.566  -4.606  -3.145
  424    H    ALA  51           H        ALA  51   0.917  -4.299  -4.060
  425    HA   ALA  51           HA       ALA  51   0.679  -6.945  -2.792
  426   1HB   ALA  51          1HB       ALA  51  -1.293  -5.285  -2.856
  427   2HB   ALA  51          2HB       ALA  51  -1.421  -5.740  -4.555
  428   3HB   ALA  51          3HB       ALA  51  -1.590  -6.966  -3.298
  429    H    ASP  52           H        ASP  52   0.558  -8.803  -4.054
  430    HA   ASP  52           HA       ASP  52   1.977  -8.669  -6.550
  431   1HB   ASP  52          1HB       ASP  52   1.598 -10.608  -4.568
  432   2HB   ASP  52          2HB       ASP  52   0.793 -11.256  -5.993
  433    HA   PRO  53           HA       PRO  53  -1.432  -8.162  -9.315
  434   1HB   PRO  53          1HB       PRO  53   0.198  -9.956 -11.050
  435   2HB   PRO  53          2HB       PRO  53  -0.510  -8.378 -11.414
  436   1HG   PRO  53          1HG       PRO  53   2.101  -8.621 -10.949
  437   2HG   PRO  53          2HG       PRO  53   1.195  -7.221 -10.350
  438   1HD   PRO  53          1HD       PRO  53   2.201  -9.606  -8.868
  439   2HD   PRO  53          2HD       PRO  53   2.068  -7.919  -8.336
  440    H    LYS  54           H        LYS  54  -0.097 -11.309  -8.524
  441    HA   LYS  54           HA       LYS  54  -2.084 -12.904  -9.727
  442   1HB   LYS  54          1HB       LYS  54  -1.326 -14.640  -8.055
  443   2HB   LYS  54          2HB       LYS  54  -0.063 -13.967  -9.077
  444   1HG   LYS  54          1HG       LYS  54   0.855 -12.726  -7.335
  445   2HG   LYS  54          2HG       LYS  54  -0.604 -12.854  -6.350
  446   1HD   LYS  54          1HD       LYS  54   1.401 -15.015  -6.973
  447   2HD   LYS  54          2HD       LYS  54   1.025 -14.311  -5.398
  448   1HE   LYS  54          1HE       LYS  54  -0.233 -16.187  -5.213
  449   2HE   LYS  54          2HE       LYS  54  -1.410 -15.185  -6.062
  450   1HZ   LYS  54          1HZ       LYS  54  -0.117 -16.223  -8.123
  451   2HZ   LYS  54          2HZ       LYS  54   0.102 -17.481  -7.014
  452   3HZ   LYS  54          3HZ       LYS  54  -1.460 -16.971  -7.415
  453    H    GLU  55           H        GLU  55  -1.846 -11.421  -6.532
  454    HA   GLU  55           HA       GLU  55  -3.915 -12.631  -5.198
  455   1HB   GLU  55          1HB       GLU  55  -3.395  -9.658  -5.118
  456   2HB   GLU  55          2HB       GLU  55  -4.078 -10.657  -3.843
  457   1HG   GLU  55          1HG       GLU  55  -1.828 -11.912  -3.931
  458   2HG   GLU  55          2HG       GLU  55  -1.249 -10.484  -4.787
  459    H    GLN  56           H        GLN  56  -6.056 -12.757  -5.438
  460    HA   GLN  56           HA       GLN  56  -7.369 -11.819  -7.716
  461   1HB   GLN  56          1HB       GLN  56  -8.030 -13.706  -6.078
  462   2HB   GLN  56          2HB       GLN  56  -8.827 -12.434  -5.162
  463   1HG   GLN  56          1HG       GLN  56  -9.560 -13.663  -7.738
  464   2HG   GLN  56          2HG       GLN  56 -10.580 -13.063  -6.432
  465   1HE2  GLN  56          2HE2      GLN  56 -10.599 -10.653  -6.193
  466   2HE2  GLN  56          1HE2      GLN  56 -10.634  -9.711  -7.642
  467    H    TRP  57           H        TRP  57  -7.642 -10.622  -4.360
  468    HA   TRP  57           HA       TRP  57  -9.407  -8.557  -4.795
  469   1HB   TRP  57          1HB       TRP  57  -8.737  -7.661  -2.735
  470   2HB   TRP  57          2HB       TRP  57  -8.361  -9.374  -2.591
  471    HD1  TRP  57           HD1      TRP  57  -5.654  -9.982  -3.123
  472    HE1  TRP  57           HE1      TRP  57  -3.575  -8.663  -2.374
  473    HE3  TRP  57           HE3      TRP  57  -7.859  -5.464  -2.178
  474    HZ2  TRP  57           HZ2      TRP  57  -2.951  -6.048  -1.494
  475    HZ3  TRP  57           HZ3      TRP  57  -6.454  -3.603  -1.382
  476    HH2  TRP  57           HH2      TRP  57  -4.049  -3.891  -1.048
  477    H    VAL  58           H        VAL  58  -6.168  -8.827  -5.894
  478    HA   VAL  58           HA       VAL  58  -5.861  -5.972  -6.355
  479    HB   VAL  58           HB       VAL  58  -4.077  -8.310  -7.049
  480   1HG1  VAL  58          1HG1      VAL  58  -3.652  -5.356  -7.477
  481   2HG1  VAL  58          2HG1      VAL  58  -2.383  -6.575  -7.597
  482   3HG1  VAL  58          3HG1      VAL  58  -3.748  -6.610  -8.713
  483   1HG2  VAL  58          1HG2      VAL  58  -4.392  -7.526  -4.619
  484   2HG2  VAL  58          2HG2      VAL  58  -2.747  -7.702  -5.230
  485   3HG2  VAL  58          3HG2      VAL  58  -3.476  -6.101  -5.112
  486    H    LYS  59           H        LYS  59  -6.301  -8.951  -8.212
  487    HA   LYS  59           HA       LYS  59  -6.153  -7.902 -10.789
  488   1HB   LYS  59          1HB       LYS  59  -7.771 -10.182  -9.647
  489   2HB   LYS  59          2HB       LYS  59  -7.740  -9.817 -11.363
  490   1HG   LYS  59          1HG       LYS  59  -5.541 -10.469 -11.603
  491   2HG   LYS  59          2HG       LYS  59  -5.188 -10.258  -9.885
  492   1HD   LYS  59          1HD       LYS  59  -6.349 -12.218  -9.301
  493   2HD   LYS  59          2HD       LYS  59  -7.134 -12.323 -10.875
  494   1HE   LYS  59          1HE       LYS  59  -4.364 -12.335 -11.364
  495   2HE   LYS  59          2HE       LYS  59  -4.633 -13.438 -10.015
  496   1HZ   LYS  59          1HZ       LYS  59  -6.216 -13.557 -12.517
  497   2HZ   LYS  59          2HZ       LYS  59  -4.786 -14.435 -12.299
  498   3HZ   LYS  59          3HZ       LYS  59  -6.116 -14.721 -11.293
  499    H    ASP  60           H        ASP  60  -9.033  -8.438  -8.770
  500    HA   ASP  60           HA       ASP  60 -10.804  -7.084 -10.527
  501   1HB   ASP  60          1HB       ASP  60 -11.733  -8.694  -9.019
  502   2HB   ASP  60          2HB       ASP  60 -11.033  -7.882  -7.621
  503    H    ALA  61           H        ALA  61  -9.080  -6.139  -7.570
  504    HA   ALA  61           HA       ALA  61 -10.164  -3.654  -7.125
  505   1HB   ALA  61          1HB       ALA  61  -7.452  -4.803  -6.676
  506   2HB   ALA  61          2HB       ALA  61  -7.707  -3.081  -6.405
  507   3HB   ALA  61          3HB       ALA  61  -8.653  -4.264  -5.504
  508    H    MET  62           H        MET  62  -7.700  -4.590  -9.471
  509    HA   MET  62           HA       MET  62  -7.159  -1.945 -10.370
  510   1HB   MET  62          1HB       MET  62  -6.624  -4.650 -11.594
  511   2HB   MET  62          2HB       MET  62  -6.106  -3.143 -12.335
  512   1HG   MET  62          1HG       MET  62  -4.956  -2.692 -10.073
  513   2HG   MET  62          2HG       MET  62  -5.160  -4.421  -9.807
  514   1HE   MET  62          1HE       MET  62  -4.886  -5.946 -11.829
  515   2HE   MET  62          2HE       MET  62  -3.602  -5.826 -13.031
  516   3HE   MET  62          3HE       MET  62  -3.222  -6.323 -11.381
  517    H    GLN  63           H        GLN  63  -8.901  -4.641 -11.931
  518    HA   GLN  63           HA       GLN  63  -9.883  -3.290 -14.118
  519   1HB   GLN  63          1HB       GLN  63 -10.165  -5.709 -13.773
  520   2HB   GLN  63          2HB       GLN  63 -11.321  -5.393 -12.485
  521   1HG   GLN  63          1HG       GLN  63 -12.814  -5.713 -14.131
  522   2HG   GLN  63          2HG       GLN  63 -12.477  -4.016 -14.475
  523   1HE2  GLN  63          2HE2      GLN  63 -13.436  -5.172 -16.537
  524   2HE2  GLN  63          1HE2      GLN  63 -12.241  -5.638 -17.694
  525    H    HIS  64           H        HIS  64 -10.718  -2.946 -10.804
  526    HA   HIS  64           HA       HIS  64 -13.266  -1.717 -11.196
  527   1HB   HIS  64          1HB       HIS  64 -12.582  -2.872  -9.088
  528   2HB   HIS  64          2HB       HIS  64 -11.455  -1.552  -8.782
  529    HD1  HIS  64           HD1      HIS  64 -15.189  -2.053  -9.280
  530    HD2  HIS  64           HD2      HIS  64 -12.524   0.494  -7.365
  531    HE1  HIS  64           HE1      HIS  64 -16.615  -0.483  -7.927
  532    HE2  HIS  64           HE2      HIS  64 -14.975   0.993  -6.710
  533    H    LEU  65           H        LEU  65 -10.181  -0.389  -9.999
  534    HA   LEU  65           HA       LEU  65 -10.889   2.295 -10.153
  535   1HB   LEU  65          1HB       LEU  65  -8.285   0.831 -10.200
  536   2HB   LEU  65          2HB       LEU  65  -8.298   2.554 -10.517
  537    HG   LEU  65           HG       LEU  65  -9.025   1.111  -7.989
  538   1HD1  LEU  65          1HD1      LEU  65  -6.682   1.995  -8.602
  539   2HD1  LEU  65          2HD1      LEU  65  -7.372   3.589  -8.292
  540   3HD1  LEU  65          3HD1      LEU  65  -7.343   2.376  -7.012
  541   1HD2  LEU  65          1HD2      LEU  65 -10.088   3.681  -9.010
  542   2HD2  LEU  65          2HD2      LEU  65 -10.812   2.510  -7.906
  543   3HD2  LEU  65          3HD2      LEU  65  -9.582   3.629  -7.321
  544    H    ASP  66           H        ASP  66 -10.240   0.078 -12.661
  545    HA   ASP  66           HA       ASP  66  -9.255   1.827 -14.647
  546   1HB   ASP  66          1HB       ASP  66 -10.501  -0.877 -14.615
  547   2HB   ASP  66          2HB       ASP  66 -10.467  -0.015 -16.151
  548    H    ARG  67           H        ARG  67 -12.436   1.213 -13.404
  549    HA   ARG  67           HA       ARG  67 -13.595   2.923 -15.502
  550   1HB   ARG  67          1HB       ARG  67 -14.495   0.482 -14.249
  551   2HB   ARG  67          2HB       ARG  67 -15.678   1.762 -14.016
  552   1HG   ARG  67          1HG       ARG  67 -16.293   0.661 -15.997
  553   2HG   ARG  67          2HG       ARG  67 -15.535   2.172 -16.504
  554   1HD   ARG  67          1HD       ARG  67 -13.609   0.023 -16.231
  555   2HD   ARG  67          2HD       ARG  67 -14.889  -0.378 -17.375
  556    HE   ARG  67           HE       ARG  67 -14.170   2.110 -18.129
  557   1HH1  ARG  67          1HH1      ARG  67 -12.361  -0.800 -17.512
  558   2HH1  ARG  67          2HH1      ARG  67 -11.114  -0.421 -18.650
  559   1HH2  ARG  67          1HH2      ARG  67 -12.531   2.620 -19.633
  560   2HH2  ARG  67          2HH2      ARG  67 -11.209   1.525 -19.856
  561    H    GLN  68           H        GLN  68 -12.167   3.629 -12.920
  562    HA   GLN  68           HA       GLN  68 -14.331   5.206 -11.691
  563   1HB   GLN  68          1HB       GLN  68 -12.227   3.601 -10.545
  564   2HB   GLN  68          2HB       GLN  68 -12.084   5.268 -10.002
  565   1HG   GLN  68          1HG       GLN  68 -13.432   4.261  -8.402
  566   2HG   GLN  68          2HG       GLN  68 -14.571   5.110  -9.446
  567   1HE2  GLN  68          2HE2      GLN  68 -12.908   1.975  -9.582
  568   2HE2  GLN  68          1HE2      GLN  68 -14.335   1.039  -9.851
  569    H    ALA  69           H        ALA  69 -10.802   5.368 -12.212
  570    HA   ALA  69           HA       ALA  69 -10.383   8.040 -11.841
  571   1HB   ALA  69          1HB       ALA  69  -8.605   6.410 -12.307
  572   2HB   ALA  69          2HB       ALA  69  -9.107   6.360 -13.996
  573   3HB   ALA  69          3HB       ALA  69  -8.460   7.852 -13.312
  574    H    ALA  70           H        ALA  70 -11.247   6.508 -14.943
  575    HA   ALA  70           HA       ALA  70 -11.363   8.713 -16.564
  576   1HB   ALA  70          1HB       ALA  70 -11.839   6.201 -17.052
  577   2HB   ALA  70          2HB       ALA  70 -13.520   6.655 -16.773
  578   3HB   ALA  70          3HB       ALA  70 -12.594   7.445 -18.050
  579    H    ALA  71           H        ALA  71 -14.075   7.406 -14.651
  580    HA   ALA  71           HA       ALA  71 -16.016   9.238 -15.258
  581   1HB   ALA  71          1HB       ALA  71 -15.433   7.613 -12.836
  582   2HB   ALA  71          2HB       ALA  71 -16.690   8.845 -12.742
  583   3HB   ALA  71          3HB       ALA  71 -16.812   7.551 -13.933
  584    H    LEU  72           H        LEU  72 -16.909  10.947 -13.715
  585    HA   LEU  72           HA       LEU  72 -16.714  13.030 -12.827
  586   1HB   LEU  72          1HB       LEU  72 -14.479  11.530 -11.541
  587   2HB   LEU  72          2HB       LEU  72 -14.573  13.264 -11.303
  588    HG   LEU  72           HG       LEU  72 -15.656  12.277  -9.443
  589   1HD1  LEU  72          1HD1      LEU  72 -16.828  14.186 -10.580
  590   2HD1  LEU  72          2HD1      LEU  72 -17.903  12.993 -11.311
  591   3HD1  LEU  72          3HD1      LEU  72 -17.847  13.175  -9.556
  592   1HD2  LEU  72          1HD2      LEU  72 -16.539  10.330 -11.425
  593   2HD2  LEU  72          2HD2      LEU  72 -16.281  10.147  -9.690
  594   3HD2  LEU  72          3HD2      LEU  72 -17.805  10.803 -10.291
  595    H    THR  73           H        THR  73 -13.244  12.360 -13.158
  596    HA   THR  73           HA       THR  73 -13.078  14.632 -15.023
  597    HB   THR  73           HB       THR  73 -11.895  15.175 -13.024
  598    HG1  THR  73           HG1      THR  73  -9.844  15.455 -13.838
  599   1HG2  THR  73          1HG2      THR  73 -11.641  12.952 -12.063
  600   2HG2  THR  73          2HG2      THR  73 -10.429  12.561 -13.281
  601   3HG2  THR  73          3HG2      THR  73 -10.107  13.823 -12.093
  602    H    ARG  74           H        ARG  74 -12.801  13.998 -17.050
  603    HA   ARG  74           HA       ARG  74 -11.609  11.420 -17.646
  604   1HB   ARG  74          1HB       ARG  74 -12.357  11.760 -19.890
  605   2HB   ARG  74          2HB       ARG  74 -13.655  12.275 -18.822
  606   1HG   ARG  74          1HG       ARG  74 -11.879  14.462 -19.478
  607   2HG   ARG  74          2HG       ARG  74 -12.567  13.709 -20.918
  608   1HD   ARG  74          1HD       ARG  74 -14.690  13.895 -19.129
  609   2HD   ARG  74          2HD       ARG  74 -13.817  15.416 -18.947
  610    HE   ARG  74           HE       ARG  74 -15.390  14.598 -21.182
  611   1HH1  ARG  74          1HH1      ARG  74 -12.616  16.481 -20.244
  612   2HH1  ARG  74          2HH1      ARG  74 -12.727  17.558 -21.594
  613   1HH2  ARG  74          1HH2      ARG  74 -15.546  16.011 -22.968
  614   2HH2  ARG  74          2HH2      ARG  74 -14.394  17.291 -23.143
  615    H    ASN  75           H        ASN  75  -9.721  12.964 -16.482
  616    HA   ASN  75           HA       ASN  75  -7.936  13.598 -18.734
  617   1HB   ASN  75          1HB       ASN  75  -8.905  15.448 -16.879
  618   2HB   ASN  75          2HB       ASN  75  -7.274  15.081 -16.326
  619   1HD2  ASN  75          2HD2      ASN  75  -9.026  15.784 -19.329
  620   2HD2  ASN  75          1HD2      ASN  75  -7.804  16.801 -20.004
  621    H    GLY  76           H        GLY  76  -7.582  11.192 -18.157
  622   1HA   GLY  76          1HA       GLY  76  -6.176  10.527 -15.787
  623   2HA   GLY  76          2HA       GLY  76  -6.237   9.561 -17.254
  Start of MODEL    2
    1   2H    MET   0          2H        MET   0  23.129   9.048  -3.420
    2   3H    MET   0          3H        MET   0  22.657   9.592  -1.865
    3   1H    MET   0          1H        MET   0  22.725  10.698  -3.175
    4    HA   MET   0           HA       MET   0  24.959   9.325  -1.846
    5   1HB   MET   0          1HB       MET   0  24.644  10.398  -4.547
    6   2HB   MET   0          2HB       MET   0  25.982  11.136  -3.675
    7   1HG   MET   0          1HG       MET   0  26.403   8.527  -3.119
    8   2HG   MET   0          2HG       MET   0  25.674   8.410  -4.720
    9   1HE   MET   0          1HE       MET   0  28.383   7.409  -3.826
   10   2HE   MET   0          2HE       MET   0  29.768   8.198  -4.582
   11   3HE   MET   0          3HE       MET   0  29.184   8.754  -3.013
   12    H    GLN   1           H        GLN   1  26.283  10.714  -0.661
   13    HA   GLN   1           HA       GLN   1  26.442  12.335   0.976
   14   1HB   GLN   1          1HB       GLN   1  27.107  14.424   0.051
   15   2HB   GLN   1          2HB       GLN   1  27.603  13.186  -1.095
   16   1HG   GLN   1          1HG       GLN   1  26.373  14.069  -2.714
   17   2HG   GLN   1          2HG       GLN   1  24.948  14.164  -1.679
   18   1HE2  GLN   1          2HE2      GLN   1  24.182  16.137  -1.577
   19   2HE2  GLN   1          1HE2      GLN   1  25.104  17.597  -1.544
   20    H    HIS   2           H        HIS   2  23.793  11.470   0.832
   21    HA   HIS   2           HA       HIS   2  22.428  13.892   1.715
   22   1HB   HIS   2          1HB       HIS   2  21.831  12.544  -0.760
   23   2HB   HIS   2          2HB       HIS   2  20.455  12.428   0.333
   24    HD1  HIS   2           HD1      HIS   2  21.980  14.638  -2.073
   25    HD2  HIS   2           HD2      HIS   2  19.635  15.099   1.326
   26    HE1  HIS   2           HE1      HIS   2  21.026  16.961  -2.223
   27    HE2  HIS   2           HE2      HIS   2  19.692  17.251  -0.107
   28    H    HIS   3           H        HIS   3  21.670  10.463   1.074
   29    HA   HIS   3           HA       HIS   3  21.614   9.641   3.739
   30   1HB   HIS   3          1HB       HIS   3  19.181   9.514   4.153
   31   2HB   HIS   3          2HB       HIS   3  19.744  11.177   4.020
   32    HD1  HIS   3           HD1      HIS   3  19.605   9.934   0.690
   33    HD2  HIS   3           HD2      HIS   3  16.780  11.291   3.420
   34    HE1  HIS   3           HE1      HIS   3  17.581  10.532  -0.678
   35    HE2  HIS   3           HE2      HIS   3  15.849  11.246   1.006
   36    H    GLY   4           H        GLY   4  22.660   8.355   1.729
   37   1HA   GLY   4          1HA       GLY   4  22.475   5.931   1.434
   38   2HA   GLY   4          2HA       GLY   4  20.755   6.168   1.164
   39    H    VAL   5           H        VAL   5  22.179   4.722  -0.639
   40    HA   VAL   5           HA       VAL   5  22.527   6.561  -2.914
   41    HB   VAL   5           HB       VAL   5  23.925   4.864  -3.965
   42   1HG1  VAL   5          1HG1      VAL   5  24.612   6.439  -1.797
   43   2HG1  VAL   5          2HG1      VAL   5  25.302   4.861  -1.414
   44   3HG1  VAL   5          3HG1      VAL   5  25.726   5.666  -2.926
   45   1HG2  VAL   5          1HG2      VAL   5  22.649   3.024  -2.541
   46   2HG2  VAL   5          2HG2      VAL   5  24.270   2.754  -3.183
   47   3HG2  VAL   5          3HG2      VAL   5  24.056   3.225  -1.496
   48    H    THR   6           H        THR   6  19.972   6.068  -2.449
   49    HA   THR   6           HA       THR   6  19.243   4.021  -4.439
   50    HB   THR   6           HB       THR   6  17.043   4.567  -2.694
   51    HG1  THR   6           HG1      THR   6  17.858   4.156  -0.742
   52   1HG2  THR   6          1HG2      THR   6  18.539   2.249  -3.651
   53   2HG2  THR   6          2HG2      THR   6  17.833   2.053  -2.046
   54   3HG2  THR   6          3HG2      THR   6  16.805   2.472  -3.417
   55    H    LYS   7           H        LYS   7  16.511   4.657  -4.536
   56    HA   LYS   7           HA       LYS   7  15.857   7.327  -4.846
   57   1HB   LYS   7          1HB       LYS   7  17.694   7.201  -6.584
   58   2HB   LYS   7          2HB       LYS   7  16.646   6.126  -7.499
   59   1HG   LYS   7          1HG       LYS   7  16.039   8.050  -8.496
   60   2HG   LYS   7          2HG       LYS   7  14.951   8.163  -7.112
   61   1HD   LYS   7          1HD       LYS   7  17.644   9.228  -6.637
   62   2HD   LYS   7          2HD       LYS   7  16.720  10.093  -7.867
   63   1HE   LYS   7          1HE       LYS   7  14.810  10.018  -6.108
   64   2HE   LYS   7          2HE       LYS   7  16.113   9.704  -4.963
   65   1HZ   LYS   7          1HZ       LYS   7  16.008  12.038  -6.795
   66   2HZ   LYS   7          2HZ       LYS   7  15.554  12.075  -5.166
   67   3HZ   LYS   7          3HZ       LYS   7  17.161  11.756  -5.591
   68    H    CYS   8           H        CYS   8  14.543   5.123  -3.931
   69    HA   CYS   8           HA       CYS   8  12.305   4.955  -5.818
   70   1HB   CYS   8          1HB       CYS   8  12.529   2.497  -4.323
   71   2HB   CYS   8          2HB       CYS   8  12.437   2.735  -6.063
   72    H    ASN   9           H        ASN   9  11.212   6.473  -4.559
   73    HA   ASN   9           HA       ASN   9  10.857   6.823  -1.953
   74   1HB   ASN   9          1HB       ASN   9   8.723   7.711  -2.358
   75   2HB   ASN   9          2HB       ASN   9   9.541   7.854  -3.912
   76   1HD2  ASN   9          2HD2      ASN   9   8.823   6.696  -5.638
   77   2HD2  ASN   9          1HD2      ASN   9   7.377   5.750  -5.617
   78    H    ILE  10           H        ILE  10   9.279   4.201  -3.754
   79    HA   ILE  10           HA       ILE  10   8.832   2.835  -1.183
   80    HB   ILE  10           HB       ILE  10   6.708   3.750  -2.096
   81   1HG1  ILE  10          1HG1      ILE  10   6.486   0.784  -2.311
   82   2HG1  ILE  10          2HG1      ILE  10   7.115   1.460  -0.811
   83   1HG2  ILE  10          1HG2      ILE  10   7.593   3.151  -4.522
   84   2HG2  ILE  10          2HG2      ILE  10   6.693   1.668  -4.209
   85   3HG2  ILE  10          3HG2      ILE  10   5.871   3.226  -4.149
   86   1HD1  ILE  10          1HD1      ILE  10   4.479   2.183  -2.062
   87   2HD1  ILE  10          2HD1      ILE  10   4.706   1.055  -0.725
   88   3HD1  ILE  10          3HD1      ILE  10   5.108   2.759  -0.518
   89    H    THR  11           H        THR  11   9.303   0.691  -1.115
   90    HA   THR  11           HA       THR  11  10.149  -0.590  -3.628
   91    HB   THR  11           HB       THR  11  12.129   0.043  -2.349
   92    HG1  THR  11           HG1      THR  11  13.076  -1.956  -2.345
   93   1HG2  THR  11          1HG2      THR  11  10.610  -0.981  -0.098
   94   2HG2  THR  11          2HG2      THR  11  12.246  -1.634  -0.184
   95   3HG2  THR  11          3HG2      THR  11  11.995   0.111  -0.135
   96    H    CYS  12           H        CYS  12   9.262  -2.518  -4.019
   97    HA   CYS  12           HA       CYS  12   7.343  -3.598  -2.180
   98   1HB   CYS  12          1HB       CYS  12   8.334  -4.568  -4.866
   99   2HB   CYS  12          2HB       CYS  12   7.046  -5.349  -3.955
  100    H    SER  13           H        SER  13   8.762  -4.086  -0.399
  101    HA   SER  13           HA       SER  13  10.843  -6.026  -0.663
  102   1HB   SER  13          1HB       SER  13  11.079  -4.528   1.154
  103   2HB   SER  13          2HB       SER  13   9.426  -4.807   1.703
  104    HG   SER  13           HG       SER  13  11.715  -6.254   2.188
  105    H    LYS  14           H        LYS  14   7.504  -6.116   0.525
  106    HA   LYS  14           HA       LYS  14   7.442  -8.986  -0.011
  107   1HB   LYS  14          1HB       LYS  14   6.693  -7.734   2.635
  108   2HB   LYS  14          2HB       LYS  14   6.257  -9.371   2.168
  109   1HG   LYS  14          1HG       LYS  14   9.120  -8.563   2.069
  110   2HG   LYS  14          2HG       LYS  14   8.373  -8.906   3.631
  111   1HD   LYS  14          1HD       LYS  14   8.728 -11.069   3.254
  112   2HD   LYS  14          2HD       LYS  14   7.563 -10.979   1.931
  113   1HE   LYS  14          1HE       LYS  14   9.465 -10.223   0.462
  114   2HE   LYS  14          2HE       LYS  14  10.552 -10.633   1.788
  115   1HZ   LYS  14          1HZ       LYS  14   8.645 -12.670   0.910
  116   2HZ   LYS  14          2HZ       LYS  14   9.966 -12.348  -0.098
  117   3HZ   LYS  14          3HZ       LYS  14  10.222 -12.848   1.497
  118    H    MET  15           H        MET  15   4.973  -9.644   0.797
  119    HA   MET  15           HA       MET  15   3.261  -7.826  -0.761
  120   1HB   MET  15          1HB       MET  15   3.124 -10.803  -0.298
  121   2HB   MET  15          2HB       MET  15   1.783  -9.889  -0.976
  122   1HG   MET  15          1HG       MET  15   3.108 -10.958  -2.712
  123   2HG   MET  15          2HG       MET  15   3.166  -9.200  -2.845
  124   1HE   MET  15          1HE       MET  15   4.970  -7.974  -3.224
  125   2HE   MET  15          2HE       MET  15   6.675  -8.418  -3.135
  126   3HE   MET  15          3HE       MET  15   5.635  -9.148  -4.360
  127    H    THR  16           H        THR  16   0.967  -7.738  -0.105
  128    HA   THR  16           HA       THR  16   0.732  -7.795   2.830
  129    HB   THR  16           HB       THR  16   0.596  -5.563   1.613
  130    HG1  THR  16           HG1      THR  16  -1.073  -4.871   2.958
  131   1HG2  THR  16          1HG2      THR  16  -1.090  -6.728  -0.106
  132   2HG2  THR  16          2HG2      THR  16  -2.248  -6.064   1.046
  133   3HG2  THR  16          3HG2      THR  16  -1.094  -4.999   0.243
  134    H    SER  17           H        SER  17  -1.967  -7.514   3.117
  135    HA   SER  17           HA       SER  17  -2.943 -10.089   2.090
  136   1HB   SER  17          1HB       SER  17  -4.208  -8.577   4.361
  137   2HB   SER  17          2HB       SER  17  -4.252 -10.308   4.024
  138    HG   SER  17           HG       SER  17  -2.499  -8.919   5.515
  139    H    LYS  18           H        LYS  18  -5.576  -9.961   2.302
  140    HA   LYS  18           HA       LYS  18  -6.368  -8.419   0.068
  141   1HB   LYS  18          1HB       LYS  18  -7.384 -10.604   0.958
  142   2HB   LYS  18          2HB       LYS  18  -8.271  -9.587   2.086
  143   1HG   LYS  18          1HG       LYS  18  -8.493  -8.625  -0.634
  144   2HG   LYS  18          2HG       LYS  18  -9.049 -10.291  -0.470
  145   1HD   LYS  18          1HD       LYS  18 -10.354  -9.443   1.572
  146   2HD   LYS  18          2HD       LYS  18 -10.050  -7.829   0.922
  147   1HE   LYS  18          1HE       LYS  18 -12.204  -8.600   0.166
  148   2HE   LYS  18          2HE       LYS  18 -11.097  -8.526  -1.203
  149   1HZ   LYS  18          1HZ       LYS  18 -10.926 -11.081  -0.074
  150   2HZ   LYS  18          2HZ       LYS  18 -12.566 -10.722  -0.281
  151   3HZ   LYS  18          3HZ       LYS  18 -11.512 -10.650  -1.601
  152    H    ILE  19           H        ILE  19  -7.701  -6.614  -0.082
  153    HA   ILE  19           HA       ILE  19  -8.467  -5.216   2.352
  154    HB   ILE  19           HB       ILE  19  -6.891  -3.685   0.304
  155   1HG1  ILE  19          1HG1      ILE  19  -5.776  -4.961   2.812
  156   2HG1  ILE  19          2HG1      ILE  19  -5.473  -5.534   1.174
  157   1HG2  ILE  19          1HG2      ILE  19  -7.790  -3.217   3.127
  158   2HG2  ILE  19          2HG2      ILE  19  -6.497  -2.266   2.396
  159   3HG2  ILE  19          3HG2      ILE  19  -8.112  -2.251   1.687
  160   1HD1  ILE  19          1HD1      ILE  19  -4.696  -2.832   2.244
  161   2HD1  ILE  19          2HD1      ILE  19  -3.618  -4.214   2.055
  162   3HD1  ILE  19          3HD1      ILE  19  -4.343  -3.463   0.635
  163    HA   PRO  20           HA       PRO  20 -12.043  -4.232  -0.026
  164   1HB   PRO  20          1HB       PRO  20 -12.082  -1.680   1.469
  165   2HB   PRO  20          2HB       PRO  20 -13.310  -2.939   1.369
  166   1HG   PRO  20          1HG       PRO  20 -11.838  -2.587   3.573
  167   2HG   PRO  20          2HG       PRO  20 -12.337  -4.193   3.026
  168   1HD   PRO  20          1HD       PRO  20  -9.677  -2.862   2.807
  169   2HD   PRO  20          2HD       PRO  20 -10.063  -4.566   3.116
  170    H    VAL  21           H        VAL  21 -12.187  -3.434  -2.023
  171    HA   VAL  21           HA       VAL  21 -10.258  -1.689  -3.120
  172    HB   VAL  21           HB       VAL  21 -11.665  -3.379  -4.389
  173   1HG1  VAL  21          1HG1      VAL  21 -13.838  -2.649  -3.461
  174   2HG1  VAL  21          2HG1      VAL  21 -13.687  -1.142  -4.364
  175   3HG1  VAL  21          3HG1      VAL  21 -13.819  -2.676  -5.224
  176   1HG2  VAL  21          1HG2      VAL  21 -11.421  -0.558  -5.427
  177   2HG2  VAL  21          2HG2      VAL  21 -10.231  -1.853  -5.568
  178   3HG2  VAL  21          3HG2      VAL  21 -11.765  -1.967  -6.431
  179    H    ALA  22           H        ALA  22 -13.172  -1.133  -1.401
  180    HA   ALA  22           HA       ALA  22 -13.832   1.423  -2.439
  181   1HB   ALA  22          1HB       ALA  22 -15.449   0.067  -1.219
  182   2HB   ALA  22          2HB       ALA  22 -14.483   0.217   0.249
  183   3HB   ALA  22          3HB       ALA  22 -15.246   1.643  -0.454
  184    H    LEU  23           H        LEU  23 -11.184   0.428  -0.690
  185    HA   LEU  23           HA       LEU  23 -10.853   3.026   0.640
  186   1HB   LEU  23          1HB       LEU  23  -9.479   0.371   1.028
  187   2HB   LEU  23          2HB       LEU  23  -8.910   1.855   1.771
  188    HG   LEU  23           HG       LEU  23 -10.414   0.239   3.135
  189   1HD1  LEU  23          1HD1      LEU  23 -10.562   3.210   2.963
  190   2HD1  LEU  23          2HD1      LEU  23 -11.630   2.355   4.077
  191   3HD1  LEU  23          3HD1      LEU  23  -9.881   2.186   4.227
  192   1HD2  LEU  23          1HD2      LEU  23 -12.125   0.186   1.250
  193   2HD2  LEU  23          2HD2      LEU  23 -12.738   0.427   2.886
  194   3HD2  LEU  23          3HD2      LEU  23 -12.594   1.799   1.786
  195    H    LEU  24           H        LEU  24  -9.842   1.201  -2.043
  196    HA   LEU  24           HA       LEU  24  -7.262   2.459  -2.340
  197   1HB   LEU  24          1HB       LEU  24  -8.903   0.671  -4.124
  198   2HB   LEU  24          2HB       LEU  24  -7.365   1.351  -4.624
  199    HG   LEU  24           HG       LEU  24  -7.785  -0.493  -2.267
  200   1HD1  LEU  24          1HD1      LEU  24  -7.319  -0.970  -5.091
  201   2HD1  LEU  24          2HD1      LEU  24  -6.076  -1.692  -4.070
  202   3HD1  LEU  24          3HD1      LEU  24  -7.772  -2.096  -3.812
  203   1HD2  LEU  24          1HD2      LEU  24  -5.392   0.945  -3.348
  204   2HD2  LEU  24          2HD2      LEU  24  -5.949   0.802  -1.681
  205   3HD2  LEU  24          3HD2      LEU  24  -5.216  -0.585  -2.487
  206    H    ILE  25           H        ILE  25  -6.727   4.147  -3.661
  207    HA   ILE  25           HA       ILE  25  -8.953   5.477  -5.063
  208    HB   ILE  25           HB       ILE  25  -7.825   7.640  -4.581
  209   1HG1  ILE  25          1HG1      ILE  25  -6.212   6.098  -2.547
  210   2HG1  ILE  25          2HG1      ILE  25  -5.576   6.534  -4.129
  211   1HG2  ILE  25          1HG2      ILE  25  -9.706   6.659  -3.216
  212   2HG2  ILE  25          2HG2      ILE  25  -8.483   6.169  -2.043
  213   3HG2  ILE  25          3HG2      ILE  25  -8.723   7.878  -2.406
  214   1HD1  ILE  25          1HD1      ILE  25  -6.495   8.929  -3.247
  215   2HD1  ILE  25          2HD1      ILE  25  -5.975   8.170  -1.742
  216   3HD1  ILE  25          3HD1      ILE  25  -4.836   8.356  -3.075
  217    H    HIS  26           H        HIS  26  -5.525   4.698  -5.046
  218    HA   HIS  26           HA       HIS  26  -5.474   5.016  -7.936
  219   1HB   HIS  26          1HB       HIS  26  -4.019   6.773  -6.046
  220   2HB   HIS  26          2HB       HIS  26  -3.104   6.193  -7.435
  221    HD1  HIS  26           HD1      HIS  26  -3.357   7.511  -9.518
  222    HD2  HIS  26           HD2      HIS  26  -6.508   8.141  -6.883
  223    HE1  HIS  26           HE1      HIS  26  -4.758   9.318 -10.564
  224    HE2  HIS  26           HE2      HIS  26  -6.714   9.606  -9.005
  225    H    TYR  27           H        TYR  27  -3.806   3.875  -8.965
  226    HA   TYR  27           HA       TYR  27  -2.144   2.163  -7.256
  227   1HB   TYR  27          1HB       TYR  27  -2.775   0.181  -8.309
  228   2HB   TYR  27          2HB       TYR  27  -4.305   1.041  -8.167
  229    HD1  TYR  27           HD1      TYR  27  -1.497   0.451 -10.556
  230    HD2  TYR  27           HD2      TYR  27  -5.634   1.348 -10.055
  231    HE1  TYR  27           HE1      TYR  27  -1.833   0.239 -12.987
  232    HE2  TYR  27           HE2      TYR  27  -5.981   1.138 -12.484
  233    HH   TYR  27           HH       TYR  27  -4.482  -0.308 -14.441
  234    H    GLN  28           H        GLN  28  -0.126   1.711  -8.049
  235    HA   GLN  28           HA       GLN  28   0.522   2.728 -10.725
  236   1HB   GLN  28          1HB       GLN  28   2.824   3.169  -9.244
  237   2HB   GLN  28          2HB       GLN  28   1.691   4.392  -9.800
  238   1HG   GLN  28          1HG       GLN  28   0.954   3.037  -7.305
  239   2HG   GLN  28          2HG       GLN  28   2.407   4.029  -7.228
  240   1HE2  GLN  28          2HE2      GLN  28  -0.015   4.527  -5.848
  241   2HE2  GLN  28          1HE2      GLN  28  -0.648   6.029  -6.421
  242    H    GLN  29           H        GLN  29   2.607   1.893 -11.564
  243    HA   GLN  29           HA       GLN  29   2.865  -0.931 -10.876
  244   1HB   GLN  29          1HB       GLN  29   2.931   0.526 -13.294
  245   2HB   GLN  29          2HB       GLN  29   4.550  -0.124 -13.061
  246   1HG   GLN  29          1HG       GLN  29   3.641  -1.877 -14.150
  247   2HG   GLN  29          2HG       GLN  29   3.163  -2.320 -12.512
  248   1HE2  GLN  29          2HE2      GLN  29   1.481  -3.559 -13.516
  249   2HE2  GLN  29          1HE2      GLN  29   0.026  -2.784 -14.031
  250    H    ASN  30           H        ASN  30   4.467  -1.648  -9.644
  251    HA   ASN  30           HA       ASN  30   6.323  -0.199  -8.314
  252   1HB   ASN  30          1HB       ASN  30   6.085  -2.453  -7.675
  253   2HB   ASN  30          2HB       ASN  30   6.437  -3.041  -9.299
  254   1HD2  ASN  30          1HD2      ASN  30   7.772  -1.794  -6.346
  255   2HD2  ASN  30          2HD2      ASN  30   9.414  -2.216  -6.673
  256    H    GLN  31           H        GLN  31   8.221   0.783  -8.707
  257    HA   GLN  31           HA       GLN  31   9.044   1.275 -11.363
  258   1HB   GLN  31          1HB       GLN  31  10.171   1.895  -8.660
  259   2HB   GLN  31          2HB       GLN  31  11.159   2.167 -10.088
  260   1HG   GLN  31          1HG       GLN  31   9.930   3.929 -10.777
  261   2HG   GLN  31          2HG       GLN  31   8.420   3.257 -10.164
  262   1HE2  GLN  31          2HE2      GLN  31   8.488   5.734  -9.662
  263   2HE2  GLN  31          1HE2      GLN  31   8.991   6.122  -8.055
  264    H    ALA  32           H        ALA  32   9.965  -0.182 -12.644
  265    HA   ALA  32           HA       ALA  32  11.165  -2.563 -11.859
  266   1HB   ALA  32          1HB       ALA  32  10.360  -2.163 -14.126
  267   2HB   ALA  32          2HB       ALA  32  11.655  -0.995 -14.389
  268   3HB   ALA  32          3HB       ALA  32  12.041  -2.698 -14.139
  269    H    SER  33           H        SER  33  12.558  -1.952 -10.101
  270    HA   SER  33           HA       SER  33  15.259  -1.918 -10.724
  271   1HB   SER  33          1HB       SER  33  15.852   0.416  -9.950
  272   2HB   SER  33          2HB       SER  33  15.058   0.332 -11.522
  273    HG   SER  33           HG       SER  33  13.613   1.608 -10.718
  274    H    CYS  34           H        CYS  34  12.850  -0.778  -8.396
  275    HA   CYS  34           HA       CYS  34  14.563  -1.768  -6.218
  276   1HB   CYS  34          1HB       CYS  34  12.969   0.609  -6.514
  277   2HB   CYS  34          2HB       CYS  34  12.413  -0.321  -5.127
  278    H    GLY  35           H        GLY  35  13.733  -3.164  -4.670
  279   1HA   GLY  35          1HA       GLY  35  12.471  -4.931  -3.926
  280   2HA   GLY  35          2HA       GLY  35  11.087  -3.926  -4.325
  281    H    LYS  36           H        LYS  36  10.171  -6.123  -4.743
  282    HA   LYS  36           HA       LYS  36  11.041  -7.398  -7.201
  283   1HB   LYS  36          1HB       LYS  36   8.918  -8.042  -5.167
  284   2HB   LYS  36          2HB       LYS  36   9.057  -8.925  -6.677
  285   1HG   LYS  36          1HG       LYS  36  10.592 -10.227  -5.780
  286   2HG   LYS  36          2HG       LYS  36  11.615  -8.823  -5.491
  287   1HD   LYS  36          1HD       LYS  36   9.373  -9.341  -3.610
  288   2HD   LYS  36          2HD       LYS  36  10.805 -10.368  -3.509
  289   1HE   LYS  36          1HE       LYS  36  11.282  -7.458  -3.681
  290   2HE   LYS  36          2HE       LYS  36  10.553  -8.045  -2.186
  291   1HZ   LYS  36          1HZ       LYS  36  12.967  -9.321  -3.314
  292   2HZ   LYS  36          2HZ       LYS  36  13.083  -7.951  -2.329
  293   3HZ   LYS  36          3HZ       LYS  36  12.389  -9.370  -1.725
  294    H    ARG  37           H        ARG  37   9.591  -7.798  -8.981
  295    HA   ARG  37           HA       ARG  37   8.232  -5.468  -9.831
  296   1HB   ARG  37          1HB       ARG  37   9.181  -6.805 -11.527
  297   2HB   ARG  37          2HB       ARG  37   8.414  -8.266 -10.921
  298   1HG   ARG  37          1HG       ARG  37   6.449  -7.834 -11.958
  299   2HG   ARG  37          2HG       ARG  37   6.626  -6.085 -11.806
  300   1HD   ARG  37          1HD       ARG  37   7.542  -5.913 -13.833
  301   2HD   ARG  37          2HD       ARG  37   8.664  -7.233 -13.515
  302    HE   ARG  37           HE       ARG  37   7.339  -8.514 -14.842
  303   1HH1  ARG  37          1HH1      ARG  37   5.346  -6.083 -13.344
  304   2HH1  ARG  37          2HH1      ARG  37   3.890  -6.610 -14.120
  305   1HH2  ARG  37          1HH2      ARG  37   5.429  -9.219 -15.871
  306   2HH2  ARG  37          2HH2      ARG  37   3.938  -8.394 -15.557
  307    H    ALA  38           H        ALA  38   6.670  -5.052  -8.212
  308    HA   ALA  38           HA       ALA  38   4.300  -6.796  -8.382
  309   1HB   ALA  38          1HB       ALA  38   5.538  -6.862  -6.174
  310   2HB   ALA  38          2HB       ALA  38   5.029  -5.190  -5.947
  311   3HB   ALA  38          3HB       ALA  38   3.822  -6.467  -6.094
  312    H    ILE  39           H        ILE  39   2.699  -5.042  -6.773
  313    HA   ILE  39           HA       ILE  39   2.456  -2.716  -8.566
  314    HB   ILE  39           HB       ILE  39   0.195  -4.315  -7.359
  315   1HG1  ILE  39          1HG1      ILE  39   1.591  -5.159  -9.432
  316   2HG1  ILE  39          2HG1      ILE  39  -0.166  -5.282  -9.424
  317   1HG2  ILE  39          1HG2      ILE  39  -0.201  -1.861  -7.531
  318   2HG2  ILE  39          2HG2      ILE  39   0.039  -1.994  -9.273
  319   3HG2  ILE  39          3HG2      ILE  39  -1.302  -2.840  -8.501
  320   1HD1  ILE  39          1HD1      ILE  39  -0.265  -3.165 -10.704
  321   2HD1  ILE  39          2HD1      ILE  39   1.496  -3.186 -10.798
  322   3HD1  ILE  39          3HD1      ILE  39   0.556  -4.473 -11.555
  323    H    ILE  40           H        ILE  40   1.698  -0.786  -7.656
  324    HA   ILE  40           HA       ILE  40   1.990  -0.650  -4.734
  325    HB   ILE  40           HB       ILE  40   2.058   1.684  -6.639
  326   1HG1  ILE  40          1HG1      ILE  40   3.828   0.111  -7.274
  327   2HG1  ILE  40          2HG1      ILE  40   4.512   1.553  -6.529
  328   1HG2  ILE  40          1HG2      ILE  40   1.697   1.840  -4.055
  329   2HG2  ILE  40          2HG2      ILE  40   3.438   1.559  -3.999
  330   3HG2  ILE  40          3HG2      ILE  40   2.798   2.952  -4.871
  331   1HD1  ILE  40          1HD1      ILE  40   3.967  -0.843  -4.849
  332   2HD1  ILE  40          2HD1      ILE  40   5.393  -0.801  -5.885
  333   3HD1  ILE  40          3HD1      ILE  40   5.170   0.429  -4.642
  334    H    LEU  41           H        LEU  41   0.184  -0.479  -3.594
  335    HA   LEU  41           HA       LEU  41  -2.211   0.620  -4.891
  336   1HB   LEU  41          1HB       LEU  41  -1.855  -1.234  -2.547
  337   2HB   LEU  41          2HB       LEU  41  -3.395  -0.491  -2.939
  338    HG   LEU  41           HG       LEU  41  -1.863  -2.551  -4.496
  339   1HD1  LEU  41          1HD1      LEU  41  -4.157  -2.524  -2.792
  340   2HD1  LEU  41          2HD1      LEU  41  -4.634  -3.020  -4.416
  341   3HD1  LEU  41          3HD1      LEU  41  -3.360  -3.894  -3.565
  342   1HD2  LEU  41          1HD2      LEU  41  -3.697  -0.465  -5.506
  343   2HD2  LEU  41          2HD2      LEU  41  -2.401  -1.333  -6.328
  344   3HD2  LEU  41          3HD2      LEU  41  -3.968  -2.108  -6.087
  345    H    GLU  42           H        GLU  42  -3.060   2.482  -4.243
  346    HA   GLU  42           HA       GLU  42  -2.154   3.620  -1.680
  347   1HB   GLU  42          1HB       GLU  42  -1.313   4.713  -3.855
  348   2HB   GLU  42          2HB       GLU  42  -2.968   5.277  -4.060
  349   1HG   GLU  42          1HG       GLU  42  -2.848   6.708  -2.263
  350   2HG   GLU  42          2HG       GLU  42  -1.543   5.804  -1.495
  351    H    THR  43           H        THR  43  -3.698   4.249  -0.286
  352    HA   THR  43           HA       THR  43  -6.489   4.050  -1.192
  353    HB   THR  43           HB       THR  43  -7.071   3.671   1.136
  354    HG1  THR  43           HG1      THR  43  -5.044   5.003   1.756
  355   1HG2  THR  43          1HG2      THR  43  -4.706   1.987   0.351
  356   2HG2  THR  43          2HG2      THR  43  -5.875   1.597   1.613
  357   3HG2  THR  43          3HG2      THR  43  -6.391   1.686  -0.070
  358    H    ARG  44           H        ARG  44  -8.025   5.454   0.160
  359    HA   ARG  44           HA       ARG  44  -7.301   8.189  -0.281
  360   1HB   ARG  44          1HB       ARG  44  -9.601   8.570   0.824
  361   2HB   ARG  44          2HB       ARG  44  -9.548   7.745  -0.728
  362   1HG   ARG  44          1HG       ARG  44  -9.940   5.640   0.268
  363   2HG   ARG  44          2HG       ARG  44  -9.642   6.272   1.888
  364   1HD   ARG  44          1HD       ARG  44 -12.051   5.914   1.356
  365   2HD   ARG  44          2HD       ARG  44 -11.653   7.565   1.827
  366    HE   ARG  44           HE       ARG  44 -11.552   7.282  -0.989
  367   1HH1  ARG  44          1HH1      ARG  44 -13.791   7.502   1.671
  368   2HH1  ARG  44          2HH1      ARG  44 -15.063   8.185   0.714
  369   1HH2  ARG  44          1HH2      ARG  44 -13.222   8.180  -2.259
  370   2HH2  ARG  44          2HH2      ARG  44 -14.739   8.569  -1.521
  371    H    GLN  45           H        GLN  45  -6.459   6.167   2.132
  372    HA   GLN  45           HA       GLN  45  -6.665   8.195   4.243
  373   1HB   GLN  45          1HB       GLN  45  -6.751   5.284   4.210
  374   2HB   GLN  45          2HB       GLN  45  -5.594   5.899   5.383
  375   1HG   GLN  45          1HG       GLN  45  -7.241   7.061   6.571
  376   2HG   GLN  45          2HG       GLN  45  -8.401   6.937   5.250
  377   1HE2  GLN  45          2HE2      GLN  45  -8.808   6.196   7.980
  378   2HE2  GLN  45          1HE2      GLN  45  -9.151   4.503   8.004
  379    H    HIS  46           H        HIS  46  -4.565   7.200   1.910
  380    HA   HIS  46           HA       HIS  46  -2.428   7.964   1.526
  381   1HB   HIS  46          1HB       HIS  46  -2.098   8.476   4.478
  382   2HB   HIS  46          2HB       HIS  46  -1.188   9.175   3.141
  383    HD1  HIS  46           HD1      HIS  46  -3.583  10.093   1.393
  384    HD2  HIS  46           HD2      HIS  46  -3.249  10.744   5.484
  385    HE1  HIS  46           HE1      HIS  46  -5.050  12.076   1.880
  386    HE2  HIS  46           HE2      HIS  46  -4.795  12.483   4.353
  387    H    ARG  47           H        ARG  47  -3.216   5.262   2.053
  388    HA   ARG  47           HA       ARG  47  -0.850   4.191   3.428
  389   1HB   ARG  47          1HB       ARG  47  -2.019   2.225   3.863
  390   2HB   ARG  47          2HB       ARG  47  -3.250   3.468   4.050
  391   1HG   ARG  47          1HG       ARG  47  -4.478   2.264   2.659
  392   2HG   ARG  47          2HG       ARG  47  -3.398   2.842   1.392
  393   1HD   ARG  47          1HD       ARG  47  -2.237   0.873   1.291
  394   2HD   ARG  47          2HD       ARG  47  -2.590   0.450   2.963
  395    HE   ARG  47           HE       ARG  47  -4.917   0.005   2.159
  396   1HH1  ARG  47          1HH1      ARG  47  -2.199  -0.273  -0.040
  397   2HH1  ARG  47          2HH1      ARG  47  -3.018  -1.378  -1.088
  398   1HH2  ARG  47          1HH2      ARG  47  -5.970  -1.443   0.771
  399   2HH2  ARG  47          2HH2      ARG  47  -5.147  -2.041  -0.632
  400    H    LEU  48           H        LEU  48   0.550   2.807   2.422
  401    HA   LEU  48           HA       LEU  48   0.092   2.267  -0.431
  402   1HB   LEU  48          1HB       LEU  48   2.832   2.927   0.576
  403   2HB   LEU  48          2HB       LEU  48   2.213   2.990  -1.062
  404    HG   LEU  48           HG       LEU  48   1.463   4.915   1.139
  405   1HD1  LEU  48          1HD1      LEU  48   3.728   4.812  -0.657
  406   2HD1  LEU  48          2HD1      LEU  48   2.774   6.277  -0.887
  407   3HD1  LEU  48          3HD1      LEU  48   3.416   5.884   0.708
  408   1HD2  LEU  48          1HD2      LEU  48   0.379   4.367  -1.502
  409   2HD2  LEU  48          2HD2      LEU  48  -0.283   5.336  -0.186
  410   3HD2  LEU  48          3HD2      LEU  48   0.881   6.046  -1.307
  411    H    PHE  49           H        PHE  49   0.083   0.147  -0.732
  412    HA   PHE  49           HA       PHE  49   2.057  -1.486   0.707
  413   1HB   PHE  49          1HB       PHE  49  -0.894  -2.054   0.413
  414   2HB   PHE  49          2HB       PHE  49   0.281  -3.287   0.860
  415    HD1  PHE  49           HD1      PHE  49  -0.585   0.204   1.883
  416    HD2  PHE  49           HD2      PHE  49   0.440  -3.753   3.096
  417    HE1  PHE  49           HE1      PHE  49  -0.778   0.883   4.243
  418    HE2  PHE  49           HE2      PHE  49   0.248  -3.082   5.460
  419    HZ   PHE  49           HZ       PHE  49  -0.361  -0.761   6.037
  420    H    CYS  50           H        CYS  50   3.173  -2.825  -0.561
  421    HA   CYS  50           HA       CYS  50   2.677  -2.842  -3.385
  422   1HB   CYS  50          1HB       CYS  50   4.794  -3.884  -1.571
  423   2HB   CYS  50          2HB       CYS  50   4.634  -4.647  -3.150
  424    H    ALA  51           H        ALA  51   1.004  -4.003  -4.110
  425    HA   ALA  51           HA       ALA  51   0.603  -6.713  -3.039
  426   1HB   ALA  51          1HB       ALA  51  -1.244  -4.833  -3.112
  427   2HB   ALA  51          2HB       ALA  51  -1.433  -5.406  -4.769
  428   3HB   ALA  51          3HB       ALA  51  -1.643  -6.524  -3.421
  429    H    ASP  52           H        ASP  52   0.945  -8.437  -4.293
  430    HA   ASP  52           HA       ASP  52   2.046  -8.089  -6.917
  431   1HB   ASP  52          1HB       ASP  52   2.243 -10.025  -4.946
  432   2HB   ASP  52          2HB       ASP  52   1.311 -10.824  -6.209
  433    HA   PRO  53           HA       PRO  53  -1.616  -8.185  -9.376
  434   1HB   PRO  53          1HB       PRO  53   0.070  -9.806 -11.219
  435   2HB   PRO  53          2HB       PRO  53  -0.866  -8.344 -11.545
  436   1HG   PRO  53          1HG       PRO  53   1.785  -8.237 -11.329
  437   2HG   PRO  53          2HG       PRO  53   0.764  -6.946 -10.668
  438   1HD   PRO  53          1HD       PRO  53   2.195  -9.150  -9.249
  439   2HD   PRO  53          2HD       PRO  53   1.914  -7.471  -8.739
  440    H    LYS  54           H        LYS  54   0.139 -11.037  -8.457
  441    HA   LYS  54           HA       LYS  54  -1.630 -12.983  -9.494
  442   1HB   LYS  54          1HB       LYS  54   0.672 -12.915  -7.703
  443   2HB   LYS  54          2HB       LYS  54  -0.519 -14.116  -7.222
  444   1HG   LYS  54          1HG       LYS  54  -0.342 -14.543  -9.911
  445   2HG   LYS  54          2HG       LYS  54   1.310 -14.085  -9.497
  446   1HD   LYS  54          1HD       LYS  54  -0.315 -16.268  -8.195
  447   2HD   LYS  54          2HD       LYS  54   1.017 -16.497  -9.330
  448   1HE   LYS  54          1HE       LYS  54   2.595 -16.058  -7.770
  449   2HE   LYS  54          2HE       LYS  54   1.608 -14.843  -6.960
  450   1HZ   LYS  54          1HZ       LYS  54   0.523 -17.471  -6.681
  451   2HZ   LYS  54          2HZ       LYS  54   2.101 -17.381  -6.076
  452   3HZ   LYS  54          3HZ       LYS  54   0.908 -16.335  -5.489
  453    H    GLU  55           H        GLU  55  -1.765 -10.909  -6.740
  454    HA   GLU  55           HA       GLU  55  -3.606 -12.436  -5.197
  455   1HB   GLU  55          1HB       GLU  55  -3.218  -9.445  -5.109
  456   2HB   GLU  55          2HB       GLU  55  -3.828 -10.482  -3.827
  457   1HG   GLU  55          1HG       GLU  55  -1.583 -11.607  -3.810
  458   2HG   GLU  55          2HG       GLU  55  -1.023 -10.332  -4.892
  459    H    GLN  56           H        GLN  56  -5.752 -12.609  -5.350
  460    HA   GLN  56           HA       GLN  56  -7.152 -11.797  -7.618
  461   1HB   GLN  56          1HB       GLN  56  -7.787 -13.662  -6.075
  462   2HB   GLN  56          2HB       GLN  56  -8.352 -12.457  -4.926
  463   1HG   GLN  56          1HG       GLN  56  -9.420 -12.843  -7.714
  464   2HG   GLN  56          2HG       GLN  56 -10.176 -13.431  -6.233
  465   1HE2  GLN  56          2HE2      GLN  56  -9.768 -10.801  -8.346
  466   2HE2  GLN  56          1HE2      GLN  56 -10.690  -9.640  -7.464
  467    H    TRP  57           H        TRP  57  -7.400 -10.487  -4.309
  468    HA   TRP  57           HA       TRP  57  -9.210  -8.466  -4.784
  469   1HB   TRP  57          1HB       TRP  57  -8.545  -7.521  -2.745
  470   2HB   TRP  57          2HB       TRP  57  -8.140  -9.226  -2.570
  471    HD1  TRP  57           HD1      TRP  57  -5.425  -9.797  -3.121
  472    HE1  TRP  57           HE1      TRP  57  -3.361  -8.429  -2.417
  473    HE3  TRP  57           HE3      TRP  57  -7.696  -5.300  -2.231
  474    HZ2  TRP  57           HZ2      TRP  57  -2.771  -5.790  -1.594
  475    HZ3  TRP  57           HZ3      TRP  57  -6.312  -3.401  -1.486
  476    HH2  TRP  57           HH2      TRP  57  -3.898  -3.644  -1.174
  477    H    VAL  58           H        VAL  58  -5.978  -8.692  -5.914
  478    HA   VAL  58           HA       VAL  58  -5.706  -5.833  -6.353
  479    HB   VAL  58           HB       VAL  58  -3.894  -8.108  -7.170
  480   1HG1  VAL  58          1HG1      VAL  58  -3.968  -5.548  -8.204
  481   2HG1  VAL  58          2HG1      VAL  58  -2.713  -5.462  -6.969
  482   3HG1  VAL  58          3HG1      VAL  58  -2.598  -6.656  -8.261
  483   1HG2  VAL  58          1HG2      VAL  58  -4.198  -7.696  -4.701
  484   2HG2  VAL  58          2HG2      VAL  58  -2.543  -7.558  -5.298
  485   3HG2  VAL  58          3HG2      VAL  58  -3.482  -6.104  -4.961
  486    H    LYS  59           H        LYS  59  -6.132  -8.780  -8.279
  487    HA   LYS  59           HA       LYS  59  -5.990  -7.595 -10.814
  488   1HB   LYS  59          1HB       LYS  59  -7.728  -9.943 -10.036
  489   2HB   LYS  59          2HB       LYS  59  -7.111  -9.573 -11.639
  490   1HG   LYS  59          1HG       LYS  59  -4.949 -10.217 -11.095
  491   2HG   LYS  59          2HG       LYS  59  -5.245 -10.086  -9.359
  492   1HD   LYS  59          1HD       LYS  59  -6.649 -12.030  -9.394
  493   2HD   LYS  59          2HD       LYS  59  -6.574 -12.111 -11.153
  494   1HE   LYS  59          1HE       LYS  59  -4.161 -12.355  -9.369
  495   2HE   LYS  59          2HE       LYS  59  -5.093 -13.738  -9.939
  496   1HZ   LYS  59          1HZ       LYS  59  -4.658 -12.748 -12.248
  497   2HZ   LYS  59          2HZ       LYS  59  -3.425 -11.868 -11.494
  498   3HZ   LYS  59          3HZ       LYS  59  -3.391 -13.560 -11.475
  499    H    ASP  60           H        ASP  60  -8.805  -8.258  -8.744
  500    HA   ASP  60           HA       ASP  60 -10.653  -6.995 -10.513
  501   1HB   ASP  60          1HB       ASP  60 -11.457  -8.697  -8.997
  502   2HB   ASP  60          2HB       ASP  60 -10.885  -7.783  -7.604
  503    H    ALA  61           H        ALA  61  -9.067  -6.026  -7.477
  504    HA   ALA  61           HA       ALA  61 -10.257  -3.594  -7.046
  505   1HB   ALA  61          1HB       ALA  61  -7.453  -4.542  -6.580
  506   2HB   ALA  61          2HB       ALA  61  -7.936  -2.897  -6.166
  507   3HB   ALA  61          3HB       ALA  61  -8.745  -4.271  -5.411
  508    H    MET  62           H        MET  62  -7.690  -4.388  -9.333
  509    HA   MET  62           HA       MET  62  -7.282  -1.695 -10.189
  510   1HB   MET  62          1HB       MET  62  -6.364  -4.385 -11.094
  511   2HB   MET  62          2HB       MET  62  -6.231  -3.040 -12.220
  512   1HG   MET  62          1HG       MET  62  -5.014  -1.808 -10.360
  513   2HG   MET  62          2HG       MET  62  -4.914  -3.369  -9.547
  514   1HE   MET  62          1HE       MET  62  -4.387  -5.457 -10.987
  515   2HE   MET  62          2HE       MET  62  -4.369  -5.142 -12.722
  516   3HE   MET  62          3HE       MET  62  -2.871  -5.544 -11.883
  517    H    GLN  63           H        GLN  63  -8.627  -4.501 -11.937
  518    HA   GLN  63           HA       GLN  63  -9.641  -3.228 -14.126
  519   1HB   GLN  63          1HB       GLN  63  -9.741  -5.727 -13.474
  520   2HB   GLN  63          2HB       GLN  63 -11.266  -5.322 -12.699
  521   1HG   GLN  63          1HG       GLN  63 -11.988  -4.373 -14.932
  522   2HG   GLN  63          2HG       GLN  63 -10.562  -5.159 -15.610
  523   1HE2  GLN  63          1HE2      GLN  63 -10.390  -7.535 -14.651
  524   2HE2  GLN  63          2HE2      GLN  63 -11.828  -8.469 -14.869
  525    H    HIS  64           H        HIS  64 -10.746  -3.058 -10.854
  526    HA   HIS  64           HA       HIS  64 -13.320  -1.962 -11.428
  527   1HB   HIS  64          1HB       HIS  64 -12.788  -3.173  -9.320
  528   2HB   HIS  64          2HB       HIS  64 -11.740  -1.838  -8.855
  529    HD1  HIS  64           HD1      HIS  64 -15.310  -2.844  -9.059
  530    HD2  HIS  64           HD2      HIS  64 -13.085   0.526  -8.083
  531    HE1  HIS  64           HE1      HIS  64 -16.921  -1.280  -7.925
  532    HE2  HIS  64           HE2      HIS  64 -15.559   0.766  -7.370
  533    H    LEU  65           H        LEU  65 -10.269  -0.591 -10.222
  534    HA   LEU  65           HA       LEU  65 -11.159   2.088 -10.199
  535   1HB   LEU  65          1HB       LEU  65  -8.443   0.807 -10.236
  536   2HB   LEU  65          2HB       LEU  65  -8.621   2.549 -10.308
  537    HG   LEU  65           HG       LEU  65  -9.751   0.851  -8.086
  538   1HD1  LEU  65          1HD1      LEU  65  -7.170   0.932  -8.412
  539   2HD1  LEU  65          2HD1      LEU  65  -7.332   2.575  -7.791
  540   3HD1  LEU  65          3HD1      LEU  65  -7.864   1.208  -6.814
  541   1HD2  LEU  65          1HD2      LEU  65 -10.842   3.025  -8.451
  542   2HD2  LEU  65          2HD2      LEU  65  -9.973   2.964  -6.917
  543   3HD2  LEU  65          3HD2      LEU  65  -9.277   3.823  -8.291
  544    H    ASP  66           H        ASP  66 -10.070   0.010 -12.723
  545    HA   ASP  66           HA       ASP  66  -9.275   2.048 -14.559
  546   1HB   ASP  66          1HB       ASP  66  -9.794  -0.891 -14.726
  547   2HB   ASP  66          2HB       ASP  66  -9.724   0.041 -16.219
  548    H    ARG  67           H        ARG  67 -12.174  -0.009 -14.310
  549    HA   ARG  67           HA       ARG  67 -13.543   1.549 -16.326
  550   1HB   ARG  67          1HB       ARG  67 -14.766  -0.578 -14.578
  551   2HB   ARG  67          2HB       ARG  67 -15.291  -0.048 -16.170
  552   1HG   ARG  67          1HG       ARG  67 -12.959  -1.775 -15.437
  553   2HG   ARG  67          2HG       ARG  67 -14.278  -2.100 -16.565
  554   1HD   ARG  67          1HD       ARG  67 -13.388  -0.234 -17.989
  555   2HD   ARG  67          2HD       ARG  67 -11.982  -0.186 -16.926
  556    HE   ARG  67           HE       ARG  67 -12.506  -2.799 -17.982
  557   1HH1  ARG  67          1HH1      ARG  67 -10.997   0.275 -18.615
  558   2HH1  ARG  67          2HH1      ARG  67  -9.852  -0.372 -19.743
  559   1HH2  ARG  67          1HH2      ARG  67 -11.003  -3.662 -19.466
  560   2HH2  ARG  67          2HH2      ARG  67  -9.857  -2.611 -20.227
  561    H    GLN  68           H        GLN  68 -12.939   3.344 -14.507
  562    HA   GLN  68           HA       GLN  68 -15.491   4.228 -13.552
  563   1HB   GLN  68          1HB       GLN  68 -13.691   2.855 -11.734
  564   2HB   GLN  68          2HB       GLN  68 -14.011   4.501 -11.202
  565   1HG   GLN  68          1HG       GLN  68 -16.184   4.084 -10.746
  566   2HG   GLN  68          2HG       GLN  68 -16.347   2.909 -12.050
  567   1HE2  GLN  68          1HE2      GLN  68 -15.215   0.822 -11.702
  568   2HE2  GLN  68          2HE2      GLN  68 -15.217   0.162 -10.106
  569    H    ALA  69           H        ALA  69 -12.291   4.941 -12.212
  570    HA   ALA  69           HA       ALA  69 -12.511   7.698 -12.346
  571   1HB   ALA  69          1HB       ALA  69 -10.164   5.847 -12.225
  572   2HB   ALA  69          2HB       ALA  69  -9.919   7.586 -12.381
  573   3HB   ALA  69          3HB       ALA  69 -10.794   6.940 -10.992
  574    H    ALA  70           H        ALA  70 -11.374   5.425 -14.778
  575    HA   ALA  70           HA       ALA  70 -10.416   7.424 -16.582
  576   1HB   ALA  70          1HB       ALA  70 -10.762   4.489 -16.628
  577   2HB   ALA  70          2HB       ALA  70 -10.744   5.310 -18.189
  578   3HB   ALA  70          3HB       ALA  70  -9.377   5.478 -17.089
  579    H    ALA  71           H        ALA  71 -13.491   5.978 -15.926
  580    HA   ALA  71           HA       ALA  71 -14.759   6.460 -18.388
  581   1HB   ALA  71          1HB       ALA  71 -15.529   5.031 -16.378
  582   2HB   ALA  71          2HB       ALA  71 -16.239   6.534 -15.792
  583   3HB   ALA  71          3HB       ALA  71 -16.741   5.868 -17.347
  584    H    LEU  72           H        LEU  72 -13.555   8.626 -16.153
  585    HA   LEU  72           HA       LEU  72 -15.428  10.731 -17.009
  586   1HB   LEU  72          1HB       LEU  72 -14.320  10.048 -14.434
  587   2HB   LEU  72          2HB       LEU  72 -13.887  11.692 -14.868
  588    HG   LEU  72           HG       LEU  72 -16.009  11.404 -13.517
  589   1HD1  LEU  72          1HD1      LEU  72 -15.449  13.079 -15.783
  590   2HD1  LEU  72          2HD1      LEU  72 -17.185  12.812 -15.627
  591   3HD1  LEU  72          3HD1      LEU  72 -16.269  13.474 -14.273
  592   1HD2  LEU  72          1HD2      LEU  72 -16.598   9.529 -15.467
  593   2HD2  LEU  72          2HD2      LEU  72 -17.705  10.167 -14.251
  594   3HD2  LEU  72          3HD2      LEU  72 -17.637  10.899 -15.855
  595    H    THR  73           H        THR  73 -12.167  10.897 -15.625
  596    HA   THR  73           HA       THR  73 -11.250  12.226 -18.085
  597    HB   THR  73           HB       THR  73 -11.684  13.953 -16.424
  598    HG1  THR  73           HG1      THR  73  -9.631  13.854 -17.752
  599   1HG2  THR  73          1HG2      THR  73 -10.883  12.112 -14.533
  600   2HG2  THR  73          2HG2      THR  73  -9.571  13.290 -14.565
  601   3HG2  THR  73          3HG2      THR  73 -11.226  13.821 -14.262
  602    H    ARG  74           H        ARG  74  -9.373  11.490 -18.870
  603    HA   ARG  74           HA       ARG  74  -7.824   9.643 -17.179
  604   1HB   ARG  74          1HB       ARG  74  -8.948   8.813 -19.335
  605   2HB   ARG  74          2HB       ARG  74  -7.717   9.738 -20.185
  606   1HG   ARG  74          1HG       ARG  74  -6.424   8.155 -18.217
  607   2HG   ARG  74          2HG       ARG  74  -7.542   7.124 -19.113
  608   1HD   ARG  74          1HD       ARG  74  -6.486   8.393 -21.178
  609   2HD   ARG  74          2HD       ARG  74  -5.143   8.609 -20.056
  610    HE   ARG  74           HE       ARG  74  -5.932   6.184 -21.359
  611   1HH1  ARG  74          1HH1      ARG  74  -4.392   7.510 -18.532
  612   2HH1  ARG  74          2HH1      ARG  74  -3.451   6.090 -18.218
  613   1HH2  ARG  74          1HH2      ARG  74  -4.700   4.307 -20.954
  614   2HH2  ARG  74          2HH2      ARG  74  -3.627   4.268 -19.595
  615    H    ASN  75           H        ASN  75  -7.339  12.329 -16.844
  616    HA   ASN  75           HA       ASN  75  -4.738  12.677 -18.186
  617   1HB   ASN  75          1HB       ASN  75  -6.981  14.513 -17.870
  618   2HB   ASN  75          2HB       ASN  75  -5.474  15.192 -17.265
  619   1HD2  ASN  75          2HD2      ASN  75  -6.116  12.990 -19.959
  620   2HD2  ASN  75          1HD2      ASN  75  -5.428  14.004 -21.177
  621    H    GLY  76           H        GLY  76  -3.467  11.738 -16.623
  622   1HA   GLY  76          1HA       GLY  76  -2.546  11.388 -14.517
  623   2HA   GLY  76          2HA       GLY  76  -2.315  13.125 -14.646
  Start of MODEL    3
    1   2H    MET   0          2H        MET   0  25.788   8.915   0.466
    2   3H    MET   0          3H        MET   0  24.392   8.689  -0.507
    3   1H    MET   0          1H        MET   0  24.495   7.938   1.031
    4    HA   MET   0           HA       MET   0  24.871   6.409  -0.775
    5   1HB   MET   0          1HB       MET   0  26.890   8.509  -1.411
    6   2HB   MET   0          2HB       MET   0  27.312   6.838  -1.759
    7   1HG   MET   0          1HG       MET   0  26.111   6.871  -3.611
    8   2HG   MET   0          2HG       MET   0  24.675   7.364  -2.718
    9   1HE   MET   0          1HE       MET   0  26.753   7.938  -5.443
   10   2HE   MET   0          2HE       MET   0  25.142   8.517  -5.871
   11   3HE   MET   0          3HE       MET   0  26.519   9.618  -5.923
   12    H    GLN   1           H        GLN   1  27.224   5.131  -0.880
   13    HA   GLN   1           HA       GLN   1  28.597   3.767   0.316
   14   1HB   GLN   1          1HB       GLN   1  29.221   6.378   1.045
   15   2HB   GLN   1          2HB       GLN   1  29.071   5.532   2.579
   16   1HG   GLN   1          1HG       GLN   1  30.723   3.919   1.913
   17   2HG   GLN   1          2HG       GLN   1  30.800   4.613   0.294
   18   1HE2  GLN   1          2HE2      GLN   1  31.304   7.035   0.318
   19   2HE2  GLN   1          1HE2      GLN   1  32.588   7.525   1.364
   20    H    HIS   2           H        HIS   2  29.008   3.698   3.162
   21    HA   HIS   2           HA       HIS   2  27.218   1.839   4.000
   22   1HB   HIS   2          1HB       HIS   2  29.227   3.446   5.235
   23   2HB   HIS   2          2HB       HIS   2  27.826   3.402   6.300
   24    HD1  HIS   2           HD1      HIS   2  30.584   1.306   4.980
   25    HD2  HIS   2           HD2      HIS   2  27.165   0.829   7.293
   26    HE1  HIS   2           HE1      HIS   2  30.809  -0.956   6.053
   27    HE2  HIS   2           HE2      HIS   2  28.674  -1.270   7.355
   28    H    HIS   3           H        HIS   3  25.086   2.187   3.520
   29    HA   HIS   3           HA       HIS   3  23.430   3.379   5.373
   30   1HB   HIS   3          1HB       HIS   3  24.643   5.370   3.857
   31   2HB   HIS   3          2HB       HIS   3  23.050   5.194   3.130
   32    HD1  HIS   3           HD1      HIS   3  23.363   7.796   4.382
   33    HD2  HIS   3           HD2      HIS   3  22.303   4.471   6.638
   34    HE1  HIS   3           HE1      HIS   3  22.268   8.710   6.453
   35    HE2  HIS   3           HE2      HIS   3  21.718   6.682   7.844
   36    H    GLY   4           H        GLY   4  23.767   2.960   1.858
   37   1HA   GLY   4          1HA       GLY   4  22.538   1.256   0.700
   38   2HA   GLY   4          2HA       GLY   4  21.271   1.401   1.910
   39    H    VAL   5           H        VAL   5  22.470   2.511  -1.104
   40    HA   VAL   5           HA       VAL   5  20.278   4.474  -1.277
   41    HB   VAL   5           HB       VAL   5  22.865   4.384  -2.837
   42   1HG1  VAL   5          1HG1      VAL   5  20.818   5.164  -4.101
   43   2HG1  VAL   5          2HG1      VAL   5  20.744   6.514  -2.969
   44   3HG1  VAL   5          3HG1      VAL   5  22.155   6.310  -4.009
   45   1HG2  VAL   5          1HG2      VAL   5  21.866   6.088  -0.583
   46   2HG2  VAL   5          2HG2      VAL   5  23.405   5.241  -0.741
   47   3HG2  VAL   5          3HG2      VAL   5  23.090   6.685  -1.704
   48    H    THR   6           H        THR   6  18.595   3.453  -2.193
   49    HA   THR   6           HA       THR   6  19.112   1.833  -4.597
   50    HB   THR   6           HB       THR   6  16.502   1.306  -3.708
   51    HG1  THR   6           HG1      THR   6  16.981   0.616  -1.536
   52   1HG2  THR   6          1HG2      THR   6  18.248  -0.265  -4.680
   53   2HG2  THR   6          2HG2      THR   6  18.855  -0.417  -3.030
   54   3HG2  THR   6          3HG2      THR   6  17.202  -0.899  -3.409
   55    H    LYS   7           H        LYS   7  17.774   4.704  -3.462
   56    HA   LYS   7           HA       LYS   7  16.423   6.305  -4.364
   57   1HB   LYS   7          1HB       LYS   7  18.302   5.615  -6.230
   58   2HB   LYS   7          2HB       LYS   7  16.810   5.410  -7.138
   59   1HG   LYS   7          1HG       LYS   7  17.888   7.665  -7.317
   60   2HG   LYS   7          2HG       LYS   7  16.195   7.672  -6.818
   61   1HD   LYS   7          1HD       LYS   7  16.676   8.571  -4.822
   62   2HD   LYS   7          2HD       LYS   7  18.068   7.512  -4.582
   63   1HE   LYS   7          1HE       LYS   7  19.528   8.983  -5.544
   64   2HE   LYS   7          2HE       LYS   7  18.297   9.688  -6.592
   65   1HZ   LYS   7          1HZ       LYS   7  18.403  10.118  -3.658
   66   2HZ   LYS   7          2HZ       LYS   7  19.084  11.177  -4.788
   67   3HZ   LYS   7          3HZ       LYS   7  17.412  10.914  -4.773
   68    H    CYS   8           H        CYS   8  14.963   4.194  -3.501
   69    HA   CYS   8           HA       CYS   8  12.822   4.059  -5.511
   70   1HB   CYS   8          1HB       CYS   8  12.341   1.748  -4.871
   71   2HB   CYS   8          2HB       CYS   8  13.988   1.895  -5.473
   72    H    ASN   9           H        ASN   9  11.901   5.829  -4.329
   73    HA   ASN   9           HA       ASN   9  11.346   6.215  -1.753
   74   1HB   ASN   9          1HB       ASN   9   9.082   7.082  -2.421
   75   2HB   ASN   9          2HB       ASN   9  10.415   7.696  -3.396
   76   1HD2  ASN   9          2HD2      ASN   9  10.755   6.747  -5.489
   77   2HD2  ASN   9          1HD2      ASN   9   9.419   6.078  -6.355
   78    H    ILE  10           H        ILE  10   9.930   3.687  -3.723
   79    HA   ILE  10           HA       ILE  10   8.836   2.471  -1.282
   80    HB   ILE  10           HB       ILE  10   7.008   3.569  -2.582
   81   1HG1  ILE  10          1HG1      ILE  10   6.525   0.632  -2.759
   82   2HG1  ILE  10          2HG1      ILE  10   6.952   1.305  -1.187
   83   1HG2  ILE  10          1HG2      ILE  10   8.300   2.568  -4.776
   84   2HG2  ILE  10          2HG2      ILE  10   6.934   1.464  -4.606
   85   3HG2  ILE  10          3HG2      ILE  10   6.654   3.200  -4.761
   86   1HD1  ILE  10          1HD1      ILE  10   4.752   2.498  -2.814
   87   2HD1  ILE  10          2HD1      ILE  10   4.477   1.080  -1.803
   88   3HD1  ILE  10          3HD1      ILE  10   5.033   2.588  -1.076
   89    H    THR  11           H        THR  11   9.783   0.567  -1.007
   90    HA   THR  11           HA       THR  11  10.619  -0.952  -3.386
   91    HB   THR  11           HB       THR  11  12.410  -0.229  -1.782
   92    HG1  THR  11           HG1      THR  11  11.967  -3.006  -2.138
   93   1HG2  THR  11          1HG2      THR  11  10.946  -0.682   0.271
   94   2HG2  THR  11          2HG2      THR  11  11.427  -2.367   0.062
   95   3HG2  THR  11          3HG2      THR  11  12.652  -1.127   0.340
   96    H    CYS  12           H        CYS  12   9.537  -2.744  -3.843
   97    HA   CYS  12           HA       CYS  12   7.533  -3.750  -2.048
   98   1HB   CYS  12          1HB       CYS  12   8.484  -4.782  -4.729
   99   2HB   CYS  12          2HB       CYS  12   7.077  -5.383  -3.857
  100    H    SER  13           H        SER  13   9.437  -4.118  -0.447
  101    HA   SER  13           HA       SER  13  11.028  -6.460  -0.840
  102   1HB   SER  13          1HB       SER  13  10.506  -4.622   1.474
  103   2HB   SER  13          2HB       SER  13  11.355  -6.146   1.733
  104    HG   SER  13           HG       SER  13  12.785  -5.412  -0.013
  105    H    LYS  14           H        LYS  14   7.841  -5.853   0.295
  106    HA   LYS  14           HA       LYS  14   7.482  -8.704   0.801
  107   1HB   LYS  14          1HB       LYS  14   7.835  -7.023   2.931
  108   2HB   LYS  14          2HB       LYS  14   6.085  -7.017   2.760
  109   1HG   LYS  14          1HG       LYS  14   6.937  -8.723   4.338
  110   2HG   LYS  14          2HG       LYS  14   5.984  -9.392   3.013
  111   1HD   LYS  14          1HD       LYS  14   7.725 -10.549   2.193
  112   2HD   LYS  14          2HD       LYS  14   8.850  -9.213   2.445
  113   1HE   LYS  14          1HE       LYS  14   8.300 -10.010   5.006
  114   2HE   LYS  14          2HE       LYS  14   8.277 -11.537   4.126
  115   1HZ   LYS  14          1HZ       LYS  14  10.491  -9.701   3.603
  116   2HZ   LYS  14          2HZ       LYS  14  10.493 -10.524   5.081
  117   3HZ   LYS  14          3HZ       LYS  14  10.474 -11.393   3.630
  118    H    MET  15           H        MET  15   4.959  -8.935   1.467
  119    HA   MET  15           HA       MET  15   3.427  -7.288  -0.432
  120   1HB   MET  15          1HB       MET  15   3.643 -10.249  -0.231
  121   2HB   MET  15          2HB       MET  15   2.066  -9.575  -0.618
  122   1HG   MET  15          1HG       MET  15   2.886  -9.854  -2.714
  123   2HG   MET  15          2HG       MET  15   3.463  -8.220  -2.393
  124   1HE   MET  15          1HE       MET  15   5.273  -7.626  -3.364
  125   2HE   MET  15          2HE       MET  15   6.866  -8.382  -3.408
  126   3HE   MET  15          3HE       MET  15   5.624  -8.877  -4.557
  127    H    THR  16           H        THR  16   1.310  -6.811   0.124
  128    HA   THR  16           HA       THR  16   0.703  -7.120   2.958
  129    HB   THR  16           HB       THR  16   0.572  -4.886   1.829
  130    HG1  THR  16           HG1      THR  16  -1.065  -4.318   3.082
  131   1HG2  THR  16          1HG2      THR  16  -1.004  -6.266  -0.052
  132   2HG2  THR  16          2HG2      THR  16  -2.056  -5.119   0.779
  133   3HG2  THR  16          3HG2      THR  16  -0.588  -4.553  -0.016
  134    H    SER  17           H        SER  17  -1.941  -7.087   3.167
  135    HA   SER  17           HA       SER  17  -2.750  -9.621   1.918
  136   1HB   SER  17          1HB       SER  17  -4.573  -8.947   3.963
  137   2HB   SER  17          2HB       SER  17  -3.331 -10.197   4.004
  138    HG   SER  17           HG       SER  17  -3.160  -8.647   5.719
  139    H    LYS  18           H        LYS  18  -5.287  -9.765   1.824
  140    HA   LYS  18           HA       LYS  18  -6.164  -8.123  -0.227
  141   1HB   LYS  18          1HB       LYS  18  -7.134 -10.349   0.549
  142   2HB   LYS  18          2HB       LYS  18  -8.015  -9.430   1.762
  143   1HG   LYS  18          1HG       LYS  18  -9.535  -8.738   0.289
  144   2HG   LYS  18          2HG       LYS  18  -8.315  -8.353  -0.926
  145   1HD   LYS  18          1HD       LYS  18  -9.546 -10.061  -1.920
  146   2HD   LYS  18          2HD       LYS  18  -8.145 -10.902  -1.252
  147   1HE   LYS  18          1HE       LYS  18  -9.417 -11.649   0.639
  148   2HE   LYS  18          2HE       LYS  18 -10.799 -10.663   0.155
  149   1HZ   LYS  18          1HZ       LYS  18 -10.758 -12.052  -1.964
  150   2HZ   LYS  18          2HZ       LYS  18  -9.762 -13.122  -1.113
  151   3HZ   LYS  18          3HZ       LYS  18 -11.326 -12.799  -0.556
  152    H    ILE  19           H        ILE  19  -7.593  -6.372  -0.338
  153    HA   ILE  19           HA       ILE  19  -8.373  -5.042   2.128
  154    HB   ILE  19           HB       ILE  19  -6.814  -3.496   0.067
  155   1HG1  ILE  19          1HG1      ILE  19  -5.804  -4.588   2.703
  156   2HG1  ILE  19          2HG1      ILE  19  -5.370  -5.219   1.118
  157   1HG2  ILE  19          1HG2      ILE  19  -8.429  -2.299   1.542
  158   2HG2  ILE  19          2HG2      ILE  19  -7.474  -2.823   2.928
  159   3HG2  ILE  19          3HG2      ILE  19  -6.759  -1.762   1.714
  160   1HD1  ILE  19          1HD1      ILE  19  -4.886  -2.350   1.783
  161   2HD1  ILE  19          2HD1      ILE  19  -3.764  -3.604   2.314
  162   3HD1  ILE  19          3HD1      ILE  19  -4.083  -3.376   0.594
  163    HA   PRO  20           HA       PRO  20 -12.047  -4.258  -0.188
  164   1HB   PRO  20          1HB       PRO  20 -12.183  -1.779   1.438
  165   2HB   PRO  20          2HB       PRO  20 -13.377  -3.061   1.246
  166   1HG   PRO  20          1HG       PRO  20 -11.943  -2.823   3.483
  167   2HG   PRO  20          2HG       PRO  20 -12.369  -4.404   2.816
  168   1HD   PRO  20          1HD       PRO  20  -9.762  -2.960   2.744
  169   2HD   PRO  20          2HD       PRO  20 -10.084  -4.699   2.897
  170    H    VAL  21           H        VAL  21 -12.348  -3.333  -2.113
  171    HA   VAL  21           HA       VAL  21 -10.500  -1.448  -3.163
  172    HB   VAL  21           HB       VAL  21 -13.115  -1.768  -4.527
  173   1HG1  VAL  21          1HG1      VAL  21 -10.233  -1.922  -5.404
  174   2HG1  VAL  21          2HG1      VAL  21 -11.623  -2.063  -6.479
  175   3HG1  VAL  21          3HG1      VAL  21 -11.334  -0.558  -5.609
  176   1HG2  VAL  21          1HG2      VAL  21 -11.248  -4.052  -3.978
  177   2HG2  VAL  21          2HG2      VAL  21 -13.001  -3.987  -3.796
  178   3HG2  VAL  21          3HG2      VAL  21 -12.282  -4.018  -5.406
  179    H    ALA  22           H        ALA  22 -13.482  -1.178  -1.474
  180    HA   ALA  22           HA       ALA  22 -14.347   1.337  -2.385
  181   1HB   ALA  22          1HB       ALA  22 -15.078  -0.523  -0.325
  182   2HB   ALA  22          2HB       ALA  22 -15.098   1.124   0.308
  183   3HB   ALA  22          3HB       ALA  22 -16.057   0.713  -1.114
  184    H    LEU  23           H        LEU  23 -11.616   0.481  -0.609
  185    HA   LEU  23           HA       LEU  23 -11.389   3.150   0.600
  186   1HB   LEU  23          1HB       LEU  23  -9.582   0.799   1.115
  187   2HB   LEU  23          2HB       LEU  23  -9.761   2.254   2.078
  188    HG   LEU  23           HG       LEU  23 -11.821   0.066   1.775
  189   1HD1  LEU  23          1HD1      LEU  23  -9.627  -0.148   3.237
  190   2HD1  LEU  23          2HD1      LEU  23 -10.580   0.817   4.365
  191   3HD1  LEU  23          3HD1      LEU  23 -11.186  -0.743   3.807
  192   1HD2  LEU  23          1HD2      LEU  23 -12.718   2.405   2.025
  193   2HD2  LEU  23          2HD2      LEU  23 -13.189   1.268   3.289
  194   3HD2  LEU  23          3HD2      LEU  23 -11.922   2.456   3.598
  195    H    LEU  24           H        LEU  24 -10.187   1.153  -1.909
  196    HA   LEU  24           HA       LEU  24  -7.656   2.461  -2.227
  197   1HB   LEU  24          1HB       LEU  24  -9.245   0.473  -3.785
  198   2HB   LEU  24          2HB       LEU  24  -7.939   1.320  -4.592
  199    HG   LEU  24           HG       LEU  24  -7.566  -0.238  -2.037
  200   1HD1  LEU  24          1HD1      LEU  24  -8.081  -1.245  -4.631
  201   2HD1  LEU  24          2HD1      LEU  24  -6.374  -1.514  -4.278
  202   3HD1  LEU  24          3HD1      LEU  24  -7.609  -2.132  -3.182
  203   1HD2  LEU  24          1HD2      LEU  24  -5.951   1.627  -3.277
  204   2HD2  LEU  24          2HD2      LEU  24  -5.434   0.408  -2.110
  205   3HD2  LEU  24          3HD2      LEU  24  -5.312   0.082  -3.840
  206    H    ILE  25           H        ILE  25  -7.117   4.160  -3.493
  207    HA   ILE  25           HA       ILE  25  -9.332   5.558  -4.831
  208    HB   ILE  25           HB       ILE  25  -7.807   7.561  -4.731
  209   1HG1  ILE  25          1HG1      ILE  25  -6.263   5.853  -2.769
  210   2HG1  ILE  25          2HG1      ILE  25  -5.714   6.227  -4.401
  211   1HG2  ILE  25          1HG2      ILE  25  -9.431   6.382  -2.740
  212   2HG2  ILE  25          2HG2      ILE  25  -8.051   7.121  -1.928
  213   3HG2  ILE  25          3HG2      ILE  25  -9.073   8.091  -2.990
  214   1HD1  ILE  25          1HD1      ILE  25  -6.428   8.482  -2.608
  215   2HD1  ILE  25          2HD1      ILE  25  -4.915   7.620  -2.324
  216   3HD1  ILE  25          3HD1      ILE  25  -5.214   8.386  -3.885
  217    H    HIS  26           H        HIS  26  -5.956   4.566  -5.232
  218    HA   HIS  26           HA       HIS  26  -6.322   4.267  -8.064
  219   1HB   HIS  26          1HB       HIS  26  -5.311   6.755  -7.073
  220   2HB   HIS  26          2HB       HIS  26  -4.019   5.919  -7.929
  221    HD1  HIS  26           HD1      HIS  26  -4.826   5.027 -10.430
  222    HD2  HIS  26           HD2      HIS  26  -6.922   8.176  -8.711
  223    HE1  HIS  26           HE1      HIS  26  -6.031   6.148 -12.331
  224    HE2  HIS  26           HE2      HIS  26  -7.358   7.999 -11.255
  225    H    TYR  27           H        TYR  27  -4.320   3.466  -9.130
  226    HA   TYR  27           HA       TYR  27  -2.481   2.178  -7.230
  227   1HB   TYR  27          1HB       TYR  27  -2.591   0.100  -8.421
  228   2HB   TYR  27          2HB       TYR  27  -4.243   0.588  -8.058
  229    HD1  TYR  27           HD1      TYR  27  -1.695   0.840 -10.784
  230    HD2  TYR  27           HD2      TYR  27  -5.822   0.540  -9.757
  231    HE1  TYR  27           HE1      TYR  27  -2.269   0.644 -13.172
  232    HE2  TYR  27           HE2      TYR  27  -6.407   0.341 -12.140
  233    HH   TYR  27           HH       TYR  27  -5.106   1.186 -14.434
  234    H    GLN  28           H        GLN  28  -0.372   1.851  -7.959
  235    HA   GLN  28           HA       GLN  28   0.299   3.199 -10.493
  236   1HB   GLN  28          1HB       GLN  28   2.441   3.113  -8.504
  237   2HB   GLN  28          2HB       GLN  28   1.869   4.455  -9.485
  238   1HG   GLN  28          1HG       GLN  28  -0.161   4.321  -7.778
  239   2HG   GLN  28          2HG       GLN  28   1.094   3.630  -6.753
  240   1HE2  GLN  28          2HE2      GLN  28  -0.098   5.965  -6.046
  241   2HE2  GLN  28          1HE2      GLN  28   1.016   7.275  -6.212
  242    H    GLN  29           H        GLN  29   2.982   2.589 -10.593
  243    HA   GLN  29           HA       GLN  29   3.060  -0.351 -10.605
  244   1HB   GLN  29          1HB       GLN  29   2.751   1.077 -12.887
  245   2HB   GLN  29          2HB       GLN  29   4.506   1.019 -12.785
  246   1HG   GLN  29          1HG       GLN  29   4.341  -0.938 -13.818
  247   2HG   GLN  29          2HG       GLN  29   3.798  -1.573 -12.266
  248   1HE2  GLN  29          2HE2      GLN  29   2.600  -3.167 -13.368
  249   2HE2  GLN  29          1HE2      GLN  29   1.091  -2.791 -14.119
  250    H    ASN  30           H        ASN  30   4.461  -0.670  -8.958
  251    HA   ASN  30           HA       ASN  30   6.508   0.856  -8.042
  252   1HB   ASN  30          1HB       ASN  30   5.690  -1.391  -7.153
  253   2HB   ASN  30          2HB       ASN  30   6.795  -2.135  -8.306
  254   1HD2  ASN  30          2HD2      ASN  30   8.645  -2.708  -7.454
  255   2HD2  ASN  30          1HD2      ASN  30   9.466  -1.914  -6.157
  256    H    GLN  31           H        GLN  31   8.573   1.349  -8.586
  257    HA   GLN  31           HA       GLN  31   9.368   1.109 -11.287
  258   1HB   GLN  31          1HB       GLN  31  10.494   2.259  -8.811
  259   2HB   GLN  31          2HB       GLN  31  11.674   1.794 -10.029
  260   1HG   GLN  31          1HG       GLN  31   9.314   3.439 -10.813
  261   2HG   GLN  31          2HG       GLN  31  10.687   4.196 -10.007
  262   1HE2  GLN  31          2HE2      GLN  31  10.756   5.383 -12.072
  263   2HE2  GLN  31          1HE2      GLN  31  11.650   4.695 -13.380
  264    H    ALA  32           H        ALA  32  10.316  -0.522 -12.302
  265    HA   ALA  32           HA       ALA  32  11.049  -2.916 -10.980
  266   1HB   ALA  32          1HB       ALA  32  11.419  -1.936 -13.796
  267   2HB   ALA  32          2HB       ALA  32  12.004  -3.512 -13.263
  268   3HB   ALA  32          3HB       ALA  32  10.281  -3.140 -13.190
  269    H    SER  33           H        SER  33  12.596  -2.257  -9.413
  270    HA   SER  33           HA       SER  33  15.277  -2.582 -10.222
  271   1HB   SER  33          1HB       SER  33  16.211  -0.436  -9.960
  272   2HB   SER  33          2HB       SER  33  14.755  -0.156 -10.913
  273    HG   SER  33           HG       SER  33  13.775   0.183  -8.695
  274    H    CYS  34           H        CYS  34  13.014  -1.442  -7.788
  275    HA   CYS  34           HA       CYS  34  14.835  -2.395  -5.685
  276   1HB   CYS  34          1HB       CYS  34  13.525   0.018  -5.870
  277   2HB   CYS  34          2HB       CYS  34  12.459  -0.910  -4.820
  278    H    GLY  35           H        GLY  35  14.287  -4.100  -4.467
  279   1HA   GLY  35          1HA       GLY  35  13.091  -5.877  -3.653
  280   2HA   GLY  35          2HA       GLY  35  11.654  -4.887  -3.852
  281    H    LYS  36           H        LYS  36  10.173  -5.721  -5.148
  282    HA   LYS  36           HA       LYS  36  11.058  -7.327  -7.449
  283   1HB   LYS  36          1HB       LYS  36   8.674  -7.972  -5.707
  284   2HB   LYS  36          2HB       LYS  36   9.251  -8.902  -7.082
  285   1HG   LYS  36          1HG       LYS  36  10.196 -10.137  -5.448
  286   2HG   LYS  36          2HG       LYS  36  11.471  -8.926  -5.598
  287   1HD   LYS  36          1HD       LYS  36  10.787  -7.791  -3.680
  288   2HD   LYS  36          2HD       LYS  36   9.184  -8.526  -3.703
  289   1HE   LYS  36          1HE       LYS  36  10.316 -10.732  -3.257
  290   2HE   LYS  36          2HE       LYS  36  11.799  -9.824  -2.970
  291   1HZ   LYS  36          1HZ       LYS  36   9.436  -8.945  -1.516
  292   2HZ   LYS  36          2HZ       LYS  36  10.089 -10.432  -1.050
  293   3HZ   LYS  36          3HZ       LYS  36  11.048  -9.039  -1.008
  294    H    ARG  37           H        ARG  37   9.684  -7.291  -9.273
  295    HA   ARG  37           HA       ARG  37   8.389  -4.800  -9.707
  296   1HB   ARG  37          1HB       ARG  37   7.789  -5.769 -11.917
  297   2HB   ARG  37          2HB       ARG  37   9.502  -5.900 -11.541
  298   1HG   ARG  37          1HG       ARG  37   8.563  -8.265 -10.587
  299   2HG   ARG  37          2HG       ARG  37   7.499  -7.991 -11.968
  300   1HD   ARG  37          1HD       ARG  37   9.137  -8.855 -13.213
  301   2HD   ARG  37          2HD       ARG  37   9.979  -7.328 -12.955
  302    HE   ARG  37           HE       ARG  37  11.406  -8.384 -11.480
  303   1HH1  ARG  37          1HH1      ARG  37   8.783 -10.505 -12.345
  304   2HH1  ARG  37          2HH1      ARG  37   9.519 -11.911 -11.651
  305   1HH2  ARG  37          1HH2      ARG  37  12.384 -10.228 -10.561
  306   2HH2  ARG  37          2HH2      ARG  37  11.568 -11.754 -10.636
  307    H    ALA  38           H        ALA  38   6.751  -4.724  -8.108
  308    HA   ALA  38           HA       ALA  38   4.458  -6.502  -8.622
  309   1HB   ALA  38          1HB       ALA  38   5.570  -6.583  -6.337
  310   2HB   ALA  38          2HB       ALA  38   4.907  -4.969  -6.077
  311   3HB   ALA  38          3HB       ALA  38   3.824  -6.332  -6.362
  312    H    ILE  39           H        ILE  39   2.514  -5.086  -7.268
  313    HA   ILE  39           HA       ILE  39   2.230  -2.712  -8.984
  314    HB   ILE  39           HB       ILE  39   0.150  -4.506  -7.740
  315   1HG1  ILE  39          1HG1      ILE  39   1.383  -5.064  -9.949
  316   2HG1  ILE  39          2HG1      ILE  39  -0.374  -5.170  -9.919
  317   1HG2  ILE  39          1HG2      ILE  39  -0.254  -1.909  -9.217
  318   2HG2  ILE  39          2HG2      ILE  39  -1.533  -3.036  -8.763
  319   3HG2  ILE  39          3HG2      ILE  39  -0.599  -2.211  -7.515
  320   1HD1  ILE  39          1HD1      ILE  39  -0.472  -2.906 -10.918
  321   2HD1  ILE  39          2HD1      ILE  39   1.285  -2.936 -11.055
  322   3HD1  ILE  39          3HD1      ILE  39   0.312  -4.106 -11.946
  323    H    ILE  40           H        ILE  40   1.282  -0.808  -8.115
  324    HA   ILE  40           HA       ILE  40   1.747  -0.518  -5.228
  325    HB   ILE  40           HB       ILE  40   1.503   1.701  -7.257
  326   1HG1  ILE  40          1HG1      ILE  40   3.453  -0.011  -7.528
  327   2HG1  ILE  40          2HG1      ILE  40   3.811   1.713  -7.567
  328   1HG2  ILE  40          1HG2      ILE  40   2.334   1.562  -4.377
  329   2HG2  ILE  40          2HG2      ILE  40   2.809   2.905  -5.417
  330   3HG2  ILE  40          3HG2      ILE  40   1.102   2.577  -5.125
  331   1HD1  ILE  40          1HD1      ILE  40   4.018   0.108  -5.047
  332   2HD1  ILE  40          2HD1      ILE  40   5.348   0.237  -6.200
  333   3HD1  ILE  40          3HD1      ILE  40   4.720   1.685  -5.414
  334    H    LEU  41           H        LEU  41   0.107  -0.107  -3.890
  335    HA   LEU  41           HA       LEU  41  -2.479   0.660  -5.072
  336   1HB   LEU  41          1HB       LEU  41  -1.973  -1.042  -2.632
  337   2HB   LEU  41          2HB       LEU  41  -3.552  -0.564  -3.226
  338    HG   LEU  41           HG       LEU  41  -1.584  -2.402  -4.584
  339   1HD1  LEU  41          1HD1      LEU  41  -3.927  -2.764  -2.887
  340   2HD1  LEU  41          2HD1      LEU  41  -4.012  -3.657  -4.405
  341   3HD1  LEU  41          3HD1      LEU  41  -2.646  -3.899  -3.315
  342   1HD2  LEU  41          1HD2      LEU  41  -3.585  -0.716  -5.737
  343   2HD2  LEU  41          2HD2      LEU  41  -2.505  -1.864  -6.529
  344   3HD2  LEU  41          3HD2      LEU  41  -4.067  -2.403  -5.912
  345    H    GLU  42           H        GLU  42  -3.073   2.642  -4.550
  346    HA   GLU  42           HA       GLU  42  -2.171   3.760  -1.981
  347   1HB   GLU  42          1HB       GLU  42  -1.293   4.980  -3.896
  348   2HB   GLU  42          2HB       GLU  42  -2.914   5.173  -4.549
  349   1HG   GLU  42          1HG       GLU  42  -3.460   6.423  -2.406
  350   2HG   GLU  42          2HG       GLU  42  -1.721   6.454  -2.113
  351    H    THR  43           H        THR  43  -3.664   4.211  -0.489
  352    HA   THR  43           HA       THR  43  -6.488   4.123  -1.302
  353    HB   THR  43           HB       THR  43  -7.020   3.503   0.940
  354    HG1  THR  43           HG1      THR  43  -5.818   4.048   2.561
  355   1HG2  THR  43          1HG2      THR  43  -4.533   2.076   0.047
  356   2HG2  THR  43          2HG2      THR  43  -5.531   1.558   1.405
  357   3HG2  THR  43          3HG2      THR  43  -6.209   1.600  -0.222
  358    H    ARG  44           H        ARG  44  -7.981   5.546  -0.079
  359    HA   ARG  44           HA       ARG  44  -7.324   8.236  -0.400
  360   1HB   ARG  44          1HB       ARG  44  -9.383   8.479   1.266
  361   2HB   ARG  44          2HB       ARG  44  -9.590   7.980  -0.407
  362   1HG   ARG  44          1HG       ARG  44 -10.222   5.894   0.153
  363   2HG   ARG  44          2HG       ARG  44  -9.111   5.809   1.521
  364   1HD   ARG  44          1HD       ARG  44 -11.447   7.650   1.682
  365   2HD   ARG  44          2HD       ARG  44 -11.719   5.919   1.877
  366    HE   ARG  44           HE       ARG  44  -9.636   6.496   3.553
  367   1HH1  ARG  44          1HH1      ARG  44 -12.899   7.647   3.161
  368   2HH1  ARG  44          2HH1      ARG  44 -13.103   8.031   4.837
  369   1HH2  ARG  44          1HH2      ARG  44  -9.893   7.001   5.765
  370   2HH2  ARG  44          2HH2      ARG  44 -11.395   7.665   6.316
  371    H    GLN  45           H        GLN  45  -6.458   6.118   2.096
  372    HA   GLN  45           HA       GLN  45  -5.990   8.323   3.977
  373   1HB   GLN  45          1HB       GLN  45  -5.902   5.331   4.415
  374   2HB   GLN  45          2HB       GLN  45  -5.608   6.544   5.652
  375   1HG   GLN  45          1HG       GLN  45  -7.766   6.654   6.090
  376   2HG   GLN  45          2HG       GLN  45  -8.102   7.115   4.421
  377   1HE2  GLN  45          2HE2      GLN  45  -8.224   4.627   6.767
  378   2HE2  GLN  45          1HE2      GLN  45  -8.961   3.418   5.779
  379    H    HIS  46           H        HIS  46  -4.389   7.951   1.607
  380    HA   HIS  46           HA       HIS  46  -2.221   7.820   0.915
  381   1HB   HIS  46          1HB       HIS  46  -2.063   8.852   3.717
  382   2HB   HIS  46          2HB       HIS  46  -0.568   8.458   2.874
  383    HD1  HIS  46           HD1      HIS  46  -1.532   9.484   0.041
  384    HD2  HIS  46           HD2      HIS  46  -1.774  11.592   3.613
  385    HE1  HIS  46           HE1      HIS  46  -1.619  11.909  -0.616
  386    HE2  HIS  46           HE2      HIS  46  -1.675  13.169   1.565
  387    H    ARG  47           H        ARG  47  -3.171   5.344   1.297
  388    HA   ARG  47           HA       ARG  47  -1.136   3.913   2.862
  389   1HB   ARG  47          1HB       ARG  47  -3.626   3.489   3.227
  390   2HB   ARG  47          2HB       ARG  47  -3.620   2.719   1.646
  391   1HG   ARG  47          1HG       ARG  47  -1.624   1.358   2.687
  392   2HG   ARG  47          2HG       ARG  47  -2.408   1.816   4.201
  393   1HD   ARG  47          1HD       ARG  47  -3.698   0.368   1.889
  394   2HD   ARG  47          2HD       ARG  47  -3.213  -0.347   3.427
  395    HE   ARG  47           HE       ARG  47  -5.109   1.849   3.568
  396   1HH1  ARG  47          1HH1      ARG  47  -4.595  -1.597   3.527
  397   2HH1  ARG  47          2HH1      ARG  47  -6.126  -1.963   4.249
  398   1HH2  ARG  47          1HH2      ARG  47  -7.127   1.376   4.517
  399   2HH2  ARG  47          2HH2      ARG  47  -7.565  -0.273   4.810
  400    H    LEU  48           H        LEU  48   0.608   3.615   1.603
  401    HA   LEU  48           HA       LEU  48   0.196   2.604  -1.130
  402   1HB   LEU  48          1HB       LEU  48   2.760   3.696   0.015
  403   2HB   LEU  48          2HB       LEU  48   2.376   3.409  -1.672
  404    HG   LEU  48           HG       LEU  48   1.253   5.568   0.107
  405   1HD1  LEU  48          1HD1      LEU  48   3.568   5.762  -0.976
  406   2HD1  LEU  48          2HD1      LEU  48   2.694   5.895  -2.502
  407   3HD1  LEU  48          3HD1      LEU  48   2.425   7.082  -1.226
  408   1HD2  LEU  48          1HD2      LEU  48   0.227   4.386  -2.384
  409   2HD2  LEU  48          2HD2      LEU  48  -0.608   5.307  -1.132
  410   3HD2  LEU  48          3HD2      LEU  48   0.329   6.147  -2.367
  411    H    PHE  49           H        PHE  49   0.147   0.437  -1.065
  412    HA   PHE  49           HA       PHE  49   2.322  -0.930   0.382
  413   1HB   PHE  49          1HB       PHE  49  -0.588  -1.616   0.145
  414   2HB   PHE  49          2HB       PHE  49   0.598  -2.891   0.399
  415    HD1  PHE  49           HD1      PHE  49   2.204  -2.596   2.402
  416    HD2  PHE  49           HD2      PHE  49  -1.461  -0.463   1.951
  417    HE1  PHE  49           HE1      PHE  49   2.177  -2.140   4.825
  418    HE2  PHE  49           HE2      PHE  49  -1.493  -0.002   4.373
  419    HZ   PHE  49           HZ       PHE  49   0.327  -0.842   5.812
  420    H    CYS  50           H        CYS  50   3.193  -2.807  -0.581
  421    HA   CYS  50           HA       CYS  50   2.997  -2.792  -3.492
  422   1HB   CYS  50          1HB       CYS  50   5.014  -3.724  -1.510
  423   2HB   CYS  50          2HB       CYS  50   4.947  -4.562  -3.055
  424    H    ALA  51           H        ALA  51   1.261  -3.955  -4.127
  425    HA   ALA  51           HA       ALA  51   0.889  -6.637  -2.983
  426   1HB   ALA  51          1HB       ALA  51  -1.015  -4.877  -4.520
  427   2HB   ALA  51          2HB       ALA  51  -1.373  -6.525  -4.003
  428   3HB   ALA  51          3HB       ALA  51  -1.077  -5.268  -2.802
  429    H    ASP  52           H        ASP  52   1.405  -8.366  -4.146
  430    HA   ASP  52           HA       ASP  52   2.597  -8.194  -6.685
  431   1HB   ASP  52          1HB       ASP  52   2.575 -10.084  -4.774
  432   2HB   ASP  52          2HB       ASP  52   1.393 -10.784  -5.874
  433    HA   PRO  53           HA       PRO  53  -0.919  -7.951  -9.355
  434   1HB   PRO  53          1HB       PRO  53   0.275  -8.879 -11.630
  435   2HB   PRO  53          2HB       PRO  53   0.478  -7.236 -11.014
  436   1HG   PRO  53          1HG       PRO  53   2.272  -9.606 -10.710
  437   2HG   PRO  53          2HG       PRO  53   2.695  -7.922 -11.068
  438   1HD   PRO  53          1HD       PRO  53   2.970  -8.959  -8.601
  439   2HD   PRO  53          2HD       PRO  53   2.485  -7.269  -8.857
  440    H    LYS  54           H        LYS  54   0.590 -10.802  -8.373
  441    HA   LYS  54           HA       LYS  54  -0.950 -12.613 -10.008
  442   1HB   LYS  54          1HB       LYS  54   0.205 -14.353  -8.931
  443   2HB   LYS  54          2HB       LYS  54   1.380 -13.049  -9.047
  444   1HG   LYS  54          1HG       LYS  54   1.650 -13.019  -6.851
  445   2HG   LYS  54          2HG       LYS  54  -0.086 -12.845  -6.587
  446   1HD   LYS  54          1HD       LYS  54   0.644 -15.534  -7.413
  447   2HD   LYS  54          2HD       LYS  54   1.464 -15.041  -5.930
  448   1HE   LYS  54          1HE       LYS  54  -0.715 -14.403  -4.970
  449   2HE   LYS  54          2HE       LYS  54  -1.508 -14.971  -6.438
  450   1HZ   LYS  54          1HZ       LYS  54  -0.200 -17.148  -5.854
  451   2HZ   LYS  54          2HZ       LYS  54  -0.252 -16.513  -4.288
  452   3HZ   LYS  54          3HZ       LYS  54  -1.689 -16.810  -5.130
  453    H    GLU  55           H        GLU  55  -1.487 -10.840  -7.173
  454    HA   GLU  55           HA       GLU  55  -3.342 -12.698  -5.972
  455   1HB   GLU  55          1HB       GLU  55  -2.999  -9.780  -5.292
  456   2HB   GLU  55          2HB       GLU  55  -3.654 -11.054  -4.273
  457   1HG   GLU  55          1HG       GLU  55  -1.470 -12.100  -4.133
  458   2HG   GLU  55          2HG       GLU  55  -0.800 -10.869  -5.205
  459    H    GLN  56           H        GLN  56  -5.487 -12.784  -6.244
  460    HA   GLN  56           HA       GLN  56  -6.725 -11.553  -8.432
  461   1HB   GLN  56          1HB       GLN  56  -7.405 -13.685  -7.177
  462   2HB   GLN  56          2HB       GLN  56  -8.224 -12.616  -6.047
  463   1HG   GLN  56          1HG       GLN  56  -8.813 -13.066  -8.952
  464   2HG   GLN  56          2HG       GLN  56  -9.868 -13.316  -7.562
  465   1HE2  GLN  56          2HE2      GLN  56  -8.525 -11.014  -9.771
  466   2HE2  GLN  56          1HE2      GLN  56  -9.523  -9.678  -9.317
  467    H    TRP  57           H        TRP  57  -7.031 -10.834  -4.951
  468    HA   TRP  57           HA       TRP  57  -8.899  -8.817  -5.079
  469   1HB   TRP  57          1HB       TRP  57  -8.285  -8.246  -2.923
  470   2HB   TRP  57          2HB       TRP  57  -7.656  -9.886  -3.041
  471    HD1  TRP  57           HD1      TRP  57  -4.959 -10.128  -3.344
  472    HE1  TRP  57           HE1      TRP  57  -3.050  -8.580  -2.577
  473    HE3  TRP  57           HE3      TRP  57  -7.656  -5.854  -2.559
  474    HZ2  TRP  57           HZ2      TRP  57  -2.733  -5.895  -1.745
  475    HZ3  TRP  57           HZ3      TRP  57  -6.477  -3.836  -1.775
  476    HH2  TRP  57           HH2      TRP  57  -4.064  -3.860  -1.375
  477    H    VAL  58           H        VAL  58  -5.689  -8.787  -6.289
  478    HA   VAL  58           HA       VAL  58  -5.516  -5.886  -6.366
  479    HB   VAL  58           HB       VAL  58  -3.653  -7.957  -7.539
  480   1HG1  VAL  58          1HG1      VAL  58  -3.690  -5.007  -7.552
  481   2HG1  VAL  58          2HG1      VAL  58  -2.138  -5.765  -7.191
  482   3HG1  VAL  58          3HG1      VAL  58  -2.974  -6.140  -8.697
  483   1HG2  VAL  58          1HG2      VAL  58  -3.855  -8.050  -5.069
  484   2HG2  VAL  58          2HG2      VAL  58  -2.247  -7.583  -5.621
  485   3HG2  VAL  58          3HG2      VAL  58  -3.353  -6.361  -4.999
  486    H    LYS  59           H        LYS  59  -5.873  -8.599  -8.624
  487    HA   LYS  59           HA       LYS  59  -5.945  -7.011 -10.972
  488   1HB   LYS  59          1HB       LYS  59  -7.295  -9.688 -10.644
  489   2HB   LYS  59          2HB       LYS  59  -6.638  -8.980 -12.112
  490   1HG   LYS  59          1HG       LYS  59  -4.376  -9.204 -11.201
  491   2HG   LYS  59          2HG       LYS  59  -5.048  -9.942  -9.745
  492   1HD   LYS  59          1HD       LYS  59  -6.165 -11.578 -11.457
  493   2HD   LYS  59          2HD       LYS  59  -4.866 -11.032 -12.517
  494   1HE   LYS  59          1HE       LYS  59  -3.241 -11.648 -10.730
  495   2HE   LYS  59          2HE       LYS  59  -4.583 -12.338  -9.817
  496   1HZ   LYS  59          1HZ       LYS  59  -4.984 -13.677 -11.962
  497   2HZ   LYS  59          2HZ       LYS  59  -3.385 -13.276 -12.339
  498   3HZ   LYS  59          3HZ       LYS  59  -3.730 -14.150 -10.931
  499    H    ASP  60           H        ASP  60  -8.429  -8.256  -8.793
  500    HA   ASP  60           HA       ASP  60 -10.619  -7.248 -10.334
  501   1HB   ASP  60          1HB       ASP  60 -10.265  -8.708  -7.817
  502   2HB   ASP  60          2HB       ASP  60 -11.587  -7.546  -7.765
  503    H    ALA  61           H        ALA  61  -8.840  -6.187  -7.468
  504    HA   ALA  61           HA       ALA  61 -10.352  -4.022  -6.728
  505   1HB   ALA  61          1HB       ALA  61  -7.376  -4.438  -6.648
  506   2HB   ALA  61          2HB       ALA  61  -8.154  -3.017  -5.950
  507   3HB   ALA  61          3HB       ALA  61  -8.545  -4.624  -5.338
  508    H    MET  62           H        MET  62  -7.790  -4.155  -9.175
  509    HA   MET  62           HA       MET  62  -7.956  -1.426  -9.908
  510   1HB   MET  62          1HB       MET  62  -6.917  -3.816 -11.438
  511   2HB   MET  62          2HB       MET  62  -6.709  -2.147 -11.947
  512   1HG   MET  62          1HG       MET  62  -5.700  -1.955  -9.491
  513   2HG   MET  62          2HG       MET  62  -5.368  -3.659  -9.792
  514   1HE   MET  62          1HE       MET  62  -4.230  -4.612 -11.456
  515   2HE   MET  62          2HE       MET  62  -3.928  -3.824 -13.005
  516   3HE   MET  62          3HE       MET  62  -2.618  -4.003 -11.837
  517    H    GLN  63           H        GLN  63  -9.213  -4.366 -11.485
  518    HA   GLN  63           HA       GLN  63 -10.507  -3.279 -13.627
  519   1HB   GLN  63          1HB       GLN  63 -10.406  -5.740 -12.772
  520   2HB   GLN  63          2HB       GLN  63 -11.913  -5.342 -11.957
  521   1HG   GLN  63          1HG       GLN  63 -13.074  -5.092 -13.934
  522   2HG   GLN  63          2HG       GLN  63 -11.612  -4.793 -14.874
  523   1HE2  GLN  63          2HE2      GLN  63 -13.732  -6.664 -15.426
  524   2HE2  GLN  63          1HE2      GLN  63 -13.015  -8.234 -15.461
  525    H    HIS  64           H        HIS  64 -11.342  -3.036 -10.267
  526    HA   HIS  64           HA       HIS  64 -13.995  -2.044 -10.682
  527   1HB   HIS  64          1HB       HIS  64 -13.290  -3.188  -8.589
  528   2HB   HIS  64          2HB       HIS  64 -12.245  -1.820  -8.227
  529    HD1  HIS  64           HD1      HIS  64 -15.936  -2.204  -9.107
  530    HD2  HIS  64           HD2      HIS  64 -13.448  -0.180  -6.465
  531    HE1  HIS  64           HE1      HIS  64 -17.466  -0.827  -7.661
  532    HE2  HIS  64           HE2      HIS  64 -15.933   0.450  -6.125
  533    H    LEU  65           H        LEU  65 -10.922  -0.565  -9.688
  534    HA   LEU  65           HA       LEU  65 -11.797   2.078  -9.565
  535   1HB   LEU  65          1HB       LEU  65  -9.071   1.032 -10.332
  536   2HB   LEU  65          2HB       LEU  65  -9.424   2.683  -9.862
  537    HG   LEU  65           HG       LEU  65  -9.801   0.283  -8.070
  538   1HD1  LEU  65          1HD1      LEU  65  -7.403   1.133  -8.833
  539   2HD1  LEU  65          2HD1      LEU  65  -7.710   2.319  -7.564
  540   3HD1  LEU  65          3HD1      LEU  65  -7.734   0.597  -7.186
  541   1HD2  LEU  65          1HD2      LEU  65 -11.283   2.144  -7.539
  542   2HD2  LEU  65          2HD2      LEU  65 -10.039   1.957  -6.303
  543   3HD2  LEU  65          3HD2      LEU  65  -9.905   3.244  -7.502
  544    H    ASP  66           H        ASP  66 -11.095   0.066 -12.289
  545    HA   ASP  66           HA       ASP  66 -10.694   2.155 -14.187
  546   1HB   ASP  66          1HB       ASP  66 -11.591  -0.683 -14.718
  547   2HB   ASP  66          2HB       ASP  66 -10.842   0.422 -15.867
  548    H    ARG  67           H        ARG  67 -13.393   1.259 -12.494
  549    HA   ARG  67           HA       ARG  67 -15.206   2.121 -14.647
  550   1HB   ARG  67          1HB       ARG  67 -15.625   0.311 -12.281
  551   2HB   ARG  67          2HB       ARG  67 -16.982   1.072 -13.099
  552   1HG   ARG  67          1HG       ARG  67 -16.545  -0.076 -15.111
  553   2HG   ARG  67          2HG       ARG  67 -14.952  -0.594 -14.554
  554   1HD   ARG  67          1HD       ARG  67 -16.340  -2.488 -14.359
  555   2HD   ARG  67          2HD       ARG  67 -16.154  -1.861 -12.721
  556    HE   ARG  67           HE       ARG  67 -18.436  -0.685 -13.648
  557   1HH1  ARG  67          1HH1      ARG  67 -17.315  -3.965 -13.326
  558   2HH1  ARG  67          2HH1      ARG  67 -18.900  -4.620 -13.088
  559   1HH2  ARG  67          1HH2      ARG  67 -20.529  -1.537 -13.337
  560   2HH2  ARG  67          2HH2      ARG  67 -20.728  -3.240 -13.095
  561    H    GLN  68           H        GLN  68 -13.592   3.796 -12.797
  562    HA   GLN  68           HA       GLN  68 -15.824   5.297 -11.606
  563   1HB   GLN  68          1HB       GLN  68 -13.225   5.701 -10.316
  564   2HB   GLN  68          2HB       GLN  68 -14.813   5.463  -9.600
  565   1HG   GLN  68          1HG       GLN  68 -13.339   3.172 -10.825
  566   2HG   GLN  68          2HG       GLN  68 -12.972   3.712  -9.188
  567   1HE2  GLN  68          2HE2      GLN  68 -13.710   1.334  -9.027
  568   2HE2  GLN  68          1HE2      GLN  68 -15.378   1.106  -8.642
  569    H    ALA  69           H        ALA  69 -12.341   5.849 -12.105
  570    HA   ALA  69           HA       ALA  69 -12.707   8.579 -12.792
  571   1HB   ALA  69          1HB       ALA  69 -10.454   6.714 -12.554
  572   2HB   ALA  69          2HB       ALA  69 -10.223   8.010 -13.729
  573   3HB   ALA  69          3HB       ALA  69 -10.596   8.398 -12.048
  574    H    ALA  70           H        ALA  70 -12.899   5.666 -14.588
  575    HA   ALA  70           HA       ALA  70 -12.083   6.292 -17.118
  576   1HB   ALA  70          1HB       ALA  70 -13.204   4.155 -16.226
  577   2HB   ALA  70          2HB       ALA  70 -14.718   4.927 -16.695
  578   3HB   ALA  70          3HB       ALA  70 -13.482   4.604 -17.909
  579    H    ALA  71           H        ALA  71 -15.041   7.338 -15.507
  580    HA   ALA  71           HA       ALA  71 -16.484   8.399 -17.577
  581   1HB   ALA  71          1HB       ALA  71 -16.129   9.541 -14.810
  582   2HB   ALA  71          2HB       ALA  71 -17.396  10.012 -15.941
  583   3HB   ALA  71          3HB       ALA  71 -17.338   8.362 -15.321
  584    H    LEU  72           H        LEU  72 -16.824  11.007 -17.579
  585    HA   LEU  72           HA       LEU  72 -16.063  12.927 -18.534
  586   1HB   LEU  72          1HB       LEU  72 -13.918  12.234 -16.566
  587   2HB   LEU  72          2HB       LEU  72 -13.713  13.618 -17.623
  588    HG   LEU  72           HG       LEU  72 -14.585  14.343 -15.487
  589   1HD1  LEU  72          1HD1      LEU  72 -15.952  14.732 -17.989
  590   2HD1  LEU  72          2HD1      LEU  72 -17.071  14.881 -16.635
  591   3HD1  LEU  72          3HD1      LEU  72 -15.624  15.886 -16.698
  592   1HD2  LEU  72          1HD2      LEU  72 -16.718  12.291 -16.007
  593   2HD2  LEU  72          2HD2      LEU  72 -15.636  12.422 -14.621
  594   3HD2  LEU  72          3HD2      LEU  72 -16.922  13.606 -14.849
  595    H    THR  73           H        THR  73 -12.841  11.521 -18.224
  596    HA   THR  73           HA       THR  73 -12.718  11.300 -21.159
  597    HB   THR  73           HB       THR  73 -11.478  13.275 -20.453
  598    HG1  THR  73           HG1      THR  73 -10.350  11.146 -21.673
  599   1HG2  THR  73          1HG2      THR  73 -10.684  11.674 -18.253
  600   2HG2  THR  73          2HG2      THR  73  -9.241  12.155 -19.145
  601   3HG2  THR  73          3HG2      THR  73 -10.362  13.381 -18.553
  602    H    ARG  74           H        ARG  74 -13.042   9.084 -21.176
  603    HA   ARG  74           HA       ARG  74 -12.173   7.093 -19.615
  604   1HB   ARG  74          1HB       ARG  74 -11.605   5.920 -21.969
  605   2HB   ARG  74          2HB       ARG  74 -13.245   6.186 -21.395
  606   1HG   ARG  74          1HG       ARG  74 -13.467   8.150 -22.741
  607   2HG   ARG  74          2HG       ARG  74 -11.764   8.089 -23.194
  608   1HD   ARG  74          1HD       ARG  74 -13.034   7.225 -25.021
  609   2HD   ARG  74          2HD       ARG  74 -12.205   5.872 -24.254
  610    HE   ARG  74           HE       ARG  74 -14.630   5.896 -23.043
  611   1HH1  ARG  74          1HH1      ARG  74 -13.597   5.854 -26.368
  612   2HH1  ARG  74          2HH1      ARG  74 -14.982   4.974 -26.922
  613   1HH2  ARG  74          1HH2      ARG  74 -16.457   4.738 -23.761
  614   2HH2  ARG  74          2HH2      ARG  74 -16.610   4.339 -25.439
  615    H    ASN  75           H        ASN  75 -10.214   7.279 -22.509
  616    HA   ASN  75           HA       ASN  75  -7.791   7.544 -20.870
  617   1HB   ASN  75          1HB       ASN  75  -6.810   5.811 -22.576
  618   2HB   ASN  75          2HB       ASN  75  -7.724   5.249 -21.179
  619   1HD2  ASN  75          2HD2      ASN  75  -7.678   5.621 -24.615
  620   2HD2  ASN  75          1HD2      ASN  75  -9.084   4.672 -24.946
  621    H    GLY  76           H        GLY  76  -7.841   9.740 -21.681
  622   1HA   GLY  76          1HA       GLY  76  -6.749   9.898 -24.418
  623   2HA   GLY  76          2HA       GLY  76  -7.956  11.045 -23.855
  Start of MODEL    4
    1   2H    MET   0          2H        MET   0  21.596   4.151  -3.007
    2   3H    MET   0          3H        MET   0  20.232   5.088  -3.458
    3   1H    MET   0          1H        MET   0  21.817   5.693  -3.720
    4    HA   MET   0           HA       MET   0  20.385   5.306  -1.191
    5   1HB   MET   0          1HB       MET   0  23.317   5.472  -1.790
    6   2HB   MET   0          2HB       MET   0  22.698   6.174  -0.303
    7   1HG   MET   0          1HG       MET   0  21.690   3.958   0.234
    8   2HG   MET   0          2HG       MET   0  22.521   3.302  -1.174
    9   1HE   MET   0          1HE       MET   0  22.332   4.179   2.207
   10   2HE   MET   0          2HE       MET   0  23.330   2.785   2.622
   11   3HE   MET   0          3HE       MET   0  23.941   4.418   2.887
   12    H    GLN   1           H        GLN   1  20.239   7.289  -0.001
   13    HA   GLN   1           HA       GLN   1  20.911   9.744  -1.425
   14   1HB   GLN   1          1HB       GLN   1  18.526   8.898  -2.000
   15   2HB   GLN   1          2HB       GLN   1  18.118   9.418  -0.372
   16   1HG   GLN   1          1HG       GLN   1  19.443  11.593  -1.380
   17   2HG   GLN   1          2HG       GLN   1  18.567  10.984  -2.784
   18   1HE2  GLN   1          2HE2      GLN   1  18.148  11.868   0.612
   19   2HE2  GLN   1          1HE2      GLN   1  16.524  12.432   0.449
   20    H    HIS   2           H        HIS   2  20.978  11.598  -0.097
   21    HA   HIS   2           HA       HIS   2  21.681  11.060   2.618
   22   1HB   HIS   2          1HB       HIS   2  22.143  13.450   2.768
   23   2HB   HIS   2          2HB       HIS   2  22.812  12.795   1.276
   24    HD1  HIS   2           HD1      HIS   2  22.361  14.185  -0.709
   25    HD2  HIS   2           HD2      HIS   2  19.440  14.674   2.204
   26    HE1  HIS   2           HE1      HIS   2  20.794  15.931  -1.615
   27    HE2  HIS   2           HE2      HIS   2  19.081  16.271   0.201
   28    H    HIS   3           H        HIS   3  20.605  11.531   4.487
   29    HA   HIS   3           HA       HIS   3  18.868  11.962   5.891
   30   1HB   HIS   3          1HB       HIS   3  18.169  13.806   3.615
   31   2HB   HIS   3          2HB       HIS   3  17.121  13.649   5.022
   32    HD1  HIS   3           HD1      HIS   3  20.697  14.604   4.190
   33    HD2  HIS   3           HD2      HIS   3  17.828  15.212   7.133
   34    HE1  HIS   3           HE1      HIS   3  21.688  16.306   5.753
   35    HE2  HIS   3           HE2      HIS   3  19.896  16.728   7.472
   36    H    GLY   4           H        GLY   4  18.764   9.621   4.406
   37   1HA   GLY   4          1HA       GLY   4  16.488   8.402   4.858
   38   2HA   GLY   4          2HA       GLY   4  15.994   9.377   3.482
   39    H    VAL   5           H        VAL   5  18.018   6.732   4.555
   40    HA   VAL   5           HA       VAL   5  18.518   6.004   1.747
   41    HB   VAL   5           HB       VAL   5  20.363   4.627   2.533
   42   1HG1  VAL   5          1HG1      VAL   5  20.222   7.515   3.049
   43   2HG1  VAL   5          2HG1      VAL   5  21.560   6.680   3.840
   44   3HG1  VAL   5          3HG1      VAL   5  21.374   6.585   2.089
   45   1HG2  VAL   5          1HG2      VAL   5  19.054   4.926   5.059
   46   2HG2  VAL   5          2HG2      VAL   5  20.373   3.845   4.609
   47   3HG2  VAL   5          3HG2      VAL   5  20.724   5.472   5.191
   48    H    THR   6           H        THR   6  16.323   5.135   1.656
   49    HA   THR   6           HA       THR   6  16.089   2.525   3.001
   50    HB   THR   6           HB       THR   6  14.330   4.020   3.714
   51    HG1  THR   6           HG1      THR   6  13.915   1.709   2.689
   52   1HG2  THR   6          1HG2      THR   6  14.053   4.596   0.818
   53   2HG2  THR   6          2HG2      THR   6  12.603   4.601   1.820
   54   3HG2  THR   6          3HG2      THR   6  13.946   5.677   2.207
   55    H    LYS   7           H        LYS   7  16.840   3.875   0.107
   56    HA   LYS   7           HA       LYS   7  17.063   3.032  -1.995
   57   1HB   LYS   7          1HB       LYS   7  17.317   0.848  -0.430
   58   2HB   LYS   7          2HB       LYS   7  15.885   0.394  -1.344
   59   1HG   LYS   7          1HG       LYS   7  18.099   1.463  -2.950
   60   2HG   LYS   7          2HG       LYS   7  18.425  -0.071  -2.140
   61   1HD   LYS   7          1HD       LYS   7  15.800  -0.089  -3.325
   62   2HD   LYS   7          2HD       LYS   7  17.020   0.330  -4.528
   63   1HE   LYS   7          1HE       LYS   7  17.095  -2.075  -2.709
   64   2HE   LYS   7          2HE       LYS   7  16.635  -2.092  -4.412
   65   1HZ   LYS   7          1HZ       LYS   7  19.215  -0.903  -3.816
   66   2HZ   LYS   7          2HZ       LYS   7  19.104  -2.569  -3.549
   67   3HZ   LYS   7          3HZ       LYS   7  18.761  -1.935  -5.078
   68    H    CYS   8           H        CYS   8  15.489   4.348  -2.889
   69    HA   CYS   8           HA       CYS   8  13.641   4.742  -4.170
   70   1HB   CYS   8          1HB       CYS   8  13.955   2.034  -4.401
   71   2HB   CYS   8          2HB       CYS   8  12.328   2.146  -3.739
   72    H    ASN   9           H        ASN   9  12.349   6.150  -3.192
   73    HA   ASN   9           HA       ASN   9  11.391   6.315  -0.716
   74   1HB   ASN   9          1HB       ASN   9   9.151   7.160  -2.015
   75   2HB   ASN   9          2HB       ASN   9  10.614   8.123  -1.830
   76   1HD2  ASN   9          2HD2      ASN   9   9.106   5.742  -3.967
   77   2HD2  ASN   9          1HD2      ASN   9   9.744   6.395  -5.433
   78    H    ILE  10           H        ILE  10  10.102   4.176  -3.184
   79    HA   ILE  10           HA       ILE  10   8.528   2.829  -1.101
   80    HB   ILE  10           HB       ILE  10   7.047   4.262  -2.525
   81   1HG1  ILE  10          1HG1      ILE  10   6.306   1.426  -3.078
   82   2HG1  ILE  10          2HG1      ILE  10   6.550   1.902  -1.400
   83   1HG2  ILE  10          1HG2      ILE  10   8.366   3.863  -4.623
   84   2HG2  ILE  10          2HG2      ILE  10   7.642   2.256  -4.690
   85   3HG2  ILE  10          3HG2      ILE  10   6.620   3.689  -4.795
   86   1HD1  ILE  10          1HD1      ILE  10   4.800   3.580  -3.109
   87   2HD1  ILE  10          2HD1      ILE  10   4.193   2.033  -2.520
   88   3HD1  ILE  10          3HD1      ILE  10   4.730   3.264  -1.376
   89    H    THR  11           H        THR  11   8.842   0.700  -1.032
   90    HA   THR  11           HA       THR  11   9.969  -0.628  -3.407
   91    HB   THR  11           HB       THR  11  11.709  -0.326  -1.703
   92    HG1  THR  11           HG1      THR  11  10.958  -3.042  -1.651
   93   1HG2  THR  11          1HG2      THR  11   9.770  -1.747   0.084
   94   2HG2  THR  11          2HG2      THR  11  11.507  -1.754   0.385
   95   3HG2  THR  11          3HG2      THR  11  10.625  -0.229   0.361
   96    H    CYS  12           H        CYS  12   9.746  -3.099  -3.183
   97    HA   CYS  12           HA       CYS  12   7.012  -3.661  -2.249
   98   1HB   CYS  12          1HB       CYS  12   8.641  -4.862  -4.486
   99   2HB   CYS  12          2HB       CYS  12   7.154  -5.595  -3.897
  100    H    SER  13           H        SER  13   9.312  -3.754  -0.520
  101    HA   SER  13           HA       SER  13  10.329  -6.334  -0.152
  102   1HB   SER  13          1HB       SER  13  11.197  -4.259   0.951
  103   2HB   SER  13          2HB       SER  13   9.794  -4.292   2.017
  104    HG   SER  13           HG       SER  13  10.545  -6.094   2.975
  105    H    LYS  14           H        LYS  14   8.656  -7.827  -0.425
  106    HA   LYS  14           HA       LYS  14   7.289  -9.413   0.551
  107   1HB   LYS  14          1HB       LYS  14   8.154  -8.444   2.777
  108   2HB   LYS  14          2HB       LYS  14   6.665  -7.509   2.793
  109   1HG   LYS  14          1HG       LYS  14   6.634  -9.660   4.095
  110   2HG   LYS  14          2HG       LYS  14   5.329  -9.448   2.925
  111   1HD   LYS  14          1HD       LYS  14   6.159 -11.056   1.507
  112   2HD   LYS  14          2HD       LYS  14   7.820 -10.840   2.063
  113   1HE   LYS  14          1HE       LYS  14   7.493 -12.145   3.950
  114   2HE   LYS  14          2HE       LYS  14   5.745 -11.925   3.921
  115   1HZ   LYS  14          1HZ       LYS  14   6.217 -13.181   1.583
  116   2HZ   LYS  14          2HZ       LYS  14   7.370 -13.897   2.592
  117   3HZ   LYS  14          3HZ       LYS  14   5.733 -13.950   3.012
  118    H    MET  15           H        MET  15   5.044  -9.799   0.473
  119    HA   MET  15           HA       MET  15   3.573  -7.705  -0.898
  120   1HB   MET  15          1HB       MET  15   2.956 -10.611  -0.353
  121   2HB   MET  15          2HB       MET  15   1.851  -9.526  -1.185
  122   1HG   MET  15          1HG       MET  15   4.654 -10.068  -2.123
  123   2HG   MET  15          2HG       MET  15   3.249 -10.989  -2.657
  124   1HE   MET  15          1HE       MET  15   5.621  -9.010  -3.566
  125   2HE   MET  15          2HE       MET  15   4.981  -8.773  -5.192
  126   3HE   MET  15          3HE       MET  15   5.114  -7.404  -4.089
  127    H    THR  16           H        THR  16   1.691  -6.765  -0.195
  128    HA   THR  16           HA       THR  16   1.321  -6.626   2.644
  129    HB   THR  16           HB       THR  16   1.033  -4.718   0.982
  130    HG1  THR  16           HG1      THR  16  -0.387  -3.757   2.318
  131   1HG2  THR  16          1HG2      THR  16  -1.613  -6.078   0.540
  132   2HG2  THR  16          2HG2      THR  16  -1.238  -4.416   0.088
  133   3HG2  THR  16          3HG2      THR  16  -0.372  -5.751  -0.669
  134    H    SER  17           H        SER  17  -1.378  -6.367   2.989
  135    HA   SER  17           HA       SER  17  -2.292  -9.133   2.603
  136   1HB   SER  17          1HB       SER  17  -3.579  -7.240   4.539
  137   2HB   SER  17          2HB       SER  17  -3.444  -8.997   4.616
  138    HG   SER  17           HG       SER  17  -1.090  -8.544   4.843
  139    H    LYS  18           H        LYS  18  -4.935  -8.989   2.959
  140    HA   LYS  18           HA       LYS  18  -5.858  -7.947   0.472
  141   1HB   LYS  18          1HB       LYS  18  -6.696  -9.942   2.118
  142   2HB   LYS  18          2HB       LYS  18  -7.875  -8.693   2.493
  143   1HG   LYS  18          1HG       LYS  18  -7.261  -9.571  -0.315
  144   2HG   LYS  18          2HG       LYS  18  -8.515 -10.314   0.678
  145   1HD   LYS  18          1HD       LYS  18  -9.106  -7.675   0.960
  146   2HD   LYS  18          2HD       LYS  18  -8.481  -7.717  -0.690
  147   1HE   LYS  18          1HE       LYS  18 -10.964  -8.065  -0.457
  148   2HE   LYS  18          2HE       LYS  18 -10.101  -9.307  -1.362
  149   1HZ   LYS  18          1HZ       LYS  18 -10.371  -9.793   1.485
  150   2HZ   LYS  18          2HZ       LYS  18 -11.817  -9.829   0.608
  151   3HZ   LYS  18          3HZ       LYS  18 -10.542 -10.859   0.184
  152    H    ILE  19           H        ILE  19  -7.203  -6.232   0.045
  153    HA   ILE  19           HA       ILE  19  -8.055  -4.516   2.246
  154    HB   ILE  19           HB       ILE  19  -6.690  -3.197  -0.066
  155   1HG1  ILE  19          1HG1      ILE  19  -5.326  -4.252   2.422
  156   2HG1  ILE  19          2HG1      ILE  19  -5.036  -4.785   0.769
  157   1HG2  ILE  19          1HG2      ILE  19  -7.126  -2.432   2.818
  158   2HG2  ILE  19          2HG2      ILE  19  -6.312  -1.438   1.611
  159   3HG2  ILE  19          3HG2      ILE  19  -8.021  -1.827   1.424
  160   1HD1  ILE  19          1HD1      ILE  19  -4.642  -2.000   0.805
  161   2HD1  ILE  19          2HD1      ILE  19  -3.811  -2.662   2.212
  162   3HD1  ILE  19          3HD1      ILE  19  -3.438  -3.274   0.600
  163    HA   PRO  20           HA       PRO  20 -11.648  -4.270  -0.323
  164   1HB   PRO  20          1HB       PRO  20 -12.805  -2.092   0.845
  165   2HB   PRO  20          2HB       PRO  20 -12.837  -3.706   1.550
  166   1HG   PRO  20          1HG       PRO  20 -11.067  -1.405   2.190
  167   2HG   PRO  20          2HG       PRO  20 -11.844  -2.555   3.289
  168   1HD   PRO  20          1HD       PRO  20  -9.234  -2.738   2.603
  169   2HD   PRO  20          2HD       PRO  20 -10.232  -4.167   2.943
  170    H    VAL  21           H        VAL  21 -11.725  -3.508  -2.332
  171    HA   VAL  21           HA       VAL  21 -10.136  -1.507  -3.384
  172    HB   VAL  21           HB       VAL  21 -11.310  -3.168  -4.767
  173   1HG1  VAL  21          1HG1      VAL  21 -13.694  -1.732  -3.731
  174   2HG1  VAL  21          2HG1      VAL  21 -13.750  -2.353  -5.381
  175   3HG1  VAL  21          3HG1      VAL  21 -13.451  -3.452  -4.035
  176   1HG2  VAL  21          1HG2      VAL  21 -10.760  -0.541  -5.396
  177   2HG2  VAL  21          2HG2      VAL  21 -11.099  -1.837  -6.544
  178   3HG2  VAL  21          3HG2      VAL  21 -12.399  -0.774  -6.003
  179    H    ALA  22           H        ALA  22 -13.106  -1.238  -1.635
  180    HA   ALA  22           HA       ALA  22 -13.960   1.291  -2.529
  181   1HB   ALA  22          1HB       ALA  22 -14.398  -0.135   0.087
  182   2HB   ALA  22          2HB       ALA  22 -15.194   1.374  -0.355
  183   3HB   ALA  22          3HB       ALA  22 -15.478  -0.084  -1.305
  184    H    LEU  23           H        LEU  23 -11.223   0.410  -0.780
  185    HA   LEU  23           HA       LEU  23 -10.980   3.067   0.450
  186   1HB   LEU  23          1HB       LEU  23  -9.604   0.445   0.984
  187   2HB   LEU  23          2HB       LEU  23  -8.987   1.960   1.614
  188    HG   LEU  23           HG       LEU  23 -10.538   0.442   3.078
  189   1HD1  LEU  23          1HD1      LEU  23 -10.471   3.409   2.820
  190   2HD1  LEU  23          2HD1      LEU  23 -11.572   2.670   3.983
  191   3HD1  LEU  23          3HD1      LEU  23  -9.838   2.372   4.099
  192   1HD2  LEU  23          1HD2      LEU  23 -12.320   0.354   1.345
  193   2HD2  LEU  23          2HD2      LEU  23 -12.874   0.938   2.913
  194   3HD2  LEU  23          3HD2      LEU  23 -12.588   2.079   1.599
  195    H    LEU  24           H        LEU  24  -9.826   1.107  -2.101
  196    HA   LEU  24           HA       LEU  24  -7.269   2.336  -2.427
  197   1HB   LEU  24          1HB       LEU  24  -8.974   0.758  -4.354
  198   2HB   LEU  24          2HB       LEU  24  -7.328   1.264  -4.677
  199    HG   LEU  24           HG       LEU  24  -8.318  -0.813  -2.758
  200   1HD1  LEU  24          1HD1      LEU  24  -7.599  -1.307  -5.132
  201   2HD1  LEU  24          2HD1      LEU  24  -5.967  -0.865  -4.631
  202   3HD1  LEU  24          3HD1      LEU  24  -6.787  -2.226  -3.865
  203   1HD2  LEU  24          1HD2      LEU  24  -5.944   0.937  -2.460
  204   2HD2  LEU  24          2HD2      LEU  24  -6.937   0.152  -1.233
  205   3HD2  LEU  24          3HD2      LEU  24  -5.737  -0.782  -2.126
  206    H    ILE  25           H        ILE  25  -6.779   4.226  -3.332
  207    HA   ILE  25           HA       ILE  25  -8.907   5.670  -4.761
  208    HB   ILE  25           HB       ILE  25  -7.684   7.723  -4.240
  209   1HG1  ILE  25          1HG1      ILE  25  -5.799   5.903  -2.722
  210   2HG1  ILE  25          2HG1      ILE  25  -5.412   6.780  -4.200
  211   1HG2  ILE  25          1HG2      ILE  25  -9.388   6.835  -2.687
  212   2HG2  ILE  25          2HG2      ILE  25  -8.105   6.044  -1.774
  213   3HG2  ILE  25          3HG2      ILE  25  -8.158   7.803  -1.878
  214   1HD1  ILE  25          1HD1      ILE  25  -6.413   8.464  -2.033
  215   2HD1  ILE  25          2HD1      ILE  25  -4.888   7.650  -1.688
  216   3HD1  ILE  25          3HD1      ILE  25  -5.033   8.687  -3.106
  217    H    HIS  26           H        HIS  26  -5.663   4.443  -5.019
  218    HA   HIS  26           HA       HIS  26  -5.696   4.848  -7.870
  219   1HB   HIS  26          1HB       HIS  26  -4.419   6.789  -6.229
  220   2HB   HIS  26          2HB       HIS  26  -3.160   5.877  -7.053
  221    HD1  HIS  26           HD1      HIS  26  -4.486   5.438  -9.775
  222    HD2  HIS  26           HD2      HIS  26  -4.545   9.054  -7.729
  223    HE1  HIS  26           HE1      HIS  26  -4.874   7.197 -11.530
  224    HE2  HIS  26           HE2      HIS  26  -4.963   9.372 -10.261
  225    H    TYR  27           H        TYR  27  -4.359   3.447  -8.951
  226    HA   TYR  27           HA       TYR  27  -2.737   1.648  -7.273
  227   1HB   TYR  27          1HB       TYR  27  -3.413  -0.216  -8.549
  228   2HB   TYR  27          2HB       TYR  27  -4.894   0.697  -8.278
  229    HD1  TYR  27           HD1      TYR  27  -5.905   2.001 -10.126
  230    HD2  TYR  27           HD2      TYR  27  -2.520  -0.512 -10.751
  231    HE1  TYR  27           HE1      TYR  27  -6.314   2.066 -12.554
  232    HE2  TYR  27           HE2      TYR  27  -2.918  -0.453 -13.181
  233    HH   TYR  27           HH       TYR  27  -4.816   1.751 -14.682
  234    H    GLN  28           H        GLN  28  -0.687   2.230  -7.620
  235    HA   GLN  28           HA       GLN  28   0.172   3.025 -10.292
  236   1HB   GLN  28          1HB       GLN  28   2.213   2.922  -8.193
  237   2HB   GLN  28          2HB       GLN  28   1.783   4.231  -9.284
  238   1HG   GLN  28          1HG       GLN  28  -0.360   4.226  -7.632
  239   2HG   GLN  28          2HG       GLN  28   0.914   3.699  -6.534
  240   1HE2  GLN  28          2HE2      GLN  28   0.417   5.750  -5.478
  241   2HE2  GLN  28          1HE2      GLN  28   1.190   7.186  -6.044
  242    H    GLN  29           H        GLN  29   2.695   2.274 -10.528
  243    HA   GLN  29           HA       GLN  29   2.701  -0.656 -10.242
  244   1HB   GLN  29          1HB       GLN  29   2.537   0.773 -12.638
  245   2HB   GLN  29          2HB       GLN  29   4.215   0.261 -12.536
  246   1HG   GLN  29          1HG       GLN  29   3.607  -1.720 -13.295
  247   2HG   GLN  29          2HG       GLN  29   2.690  -1.970 -11.811
  248   1HE2  GLN  29          2HE2      GLN  29   0.549  -0.535 -11.931
  249   2HE2  GLN  29          1HE2      GLN  29  -0.397  -0.840 -13.346
  250    H    ASN  30           H        ASN  30   4.589  -1.591  -9.607
  251    HA   ASN  30           HA       ASN  30   6.482  -0.078  -8.226
  252   1HB   ASN  30          1HB       ASN  30   6.133  -2.423  -7.718
  253   2HB   ASN  30          2HB       ASN  30   6.686  -2.888  -9.323
  254   1HD2  ASN  30          2HD2      ASN  30   7.659  -1.545  -6.242
  255   2HD2  ASN  30          1HD2      ASN  30   9.340  -1.913  -6.397
  256    H    GLN  31           H        GLN  31   8.520   0.651  -8.695
  257    HA   GLN  31           HA       GLN  31   9.068   1.217 -11.454
  258   1HB   GLN  31          1HB       GLN  31  10.180   2.011  -8.830
  259   2HB   GLN  31          2HB       GLN  31  11.308   2.038 -10.179
  260   1HG   GLN  31          1HG       GLN  31  10.417   3.891 -11.017
  261   2HG   GLN  31          2HG       GLN  31   8.774   3.277 -10.844
  262   1HE2  GLN  31          2HE2      GLN  31   7.830   5.066 -10.017
  263   2HE2  GLN  31          1HE2      GLN  31   8.240   5.761  -8.489
  264    H    ALA  32           H        ALA  32  10.334   0.130 -12.816
  265    HA   ALA  32           HA       ALA  32  11.412  -2.392 -12.144
  266   1HB   ALA  32          1HB       ALA  32  11.618  -0.623 -14.553
  267   2HB   ALA  32          2HB       ALA  32  12.549  -2.117 -14.442
  268   3HB   ALA  32          3HB       ALA  32  10.788  -2.169 -14.374
  269    H    SER  33           H        SER  33  12.777  -1.921 -10.331
  270    HA   SER  33           HA       SER  33  15.450  -1.969 -10.741
  271   1HB   SER  33          1HB       SER  33  14.484   0.661 -11.287
  272   2HB   SER  33          2HB       SER  33  15.532   0.714  -9.872
  273    HG   SER  33           HG       SER  33  16.634  -0.863 -11.726
  274    H    CYS  34           H        CYS  34  12.820  -0.925  -8.758
  275    HA   CYS  34           HA       CYS  34  14.459  -1.280  -6.342
  276   1HB   CYS  34          1HB       CYS  34  11.706  -0.086  -6.318
  277   2HB   CYS  34          2HB       CYS  34  13.034   0.164  -5.190
  278    H    GLY  35           H        GLY  35  13.756  -2.636  -4.685
  279   1HA   GLY  35          1HA       GLY  35  12.997  -4.739  -4.058
  280   2HA   GLY  35          2HA       GLY  35  11.454  -3.913  -4.207
  281    H    LYS  36           H        LYS  36  10.329  -5.736  -4.858
  282    HA   LYS  36           HA       LYS  36  11.207  -7.124  -7.267
  283   1HB   LYS  36          1HB       LYS  36   8.721  -7.692  -5.659
  284   2HB   LYS  36          2HB       LYS  36   9.561  -8.768  -6.766
  285   1HG   LYS  36          1HG       LYS  36  10.505  -9.636  -4.952
  286   2HG   LYS  36          2HG       LYS  36  11.495  -8.177  -4.913
  287   1HD   LYS  36          1HD       LYS  36  10.223  -7.195  -3.252
  288   2HD   LYS  36          2HD       LYS  36   8.798  -8.168  -3.629
  289   1HE   LYS  36          1HE       LYS  36   9.871  -8.810  -1.497
  290   2HE   LYS  36          2HE       LYS  36   9.822 -10.126  -2.670
  291   1HZ   LYS  36          1HZ       LYS  36  12.215  -8.649  -2.962
  292   2HZ   LYS  36          2HZ       LYS  36  12.042  -9.135  -1.349
  293   3HZ   LYS  36          3HZ       LYS  36  12.016 -10.287  -2.587
  294    H    ARG  37           H        ARG  37   9.827  -7.394  -9.098
  295    HA   ARG  37           HA       ARG  37   8.512  -4.990  -9.873
  296   1HB   ARG  37          1HB       ARG  37   7.920  -6.314 -11.933
  297   2HB   ARG  37          2HB       ARG  37   9.638  -6.225 -11.572
  298   1HG   ARG  37          1HG       ARG  37   9.812  -8.433 -11.359
  299   2HG   ARG  37          2HG       ARG  37   8.359  -8.536 -10.362
  300   1HD   ARG  37          1HD       ARG  37   7.208  -8.038 -12.713
  301   2HD   ARG  37          2HD       ARG  37   8.682  -8.810 -13.297
  302    HE   ARG  37           HE       ARG  37   6.480 -10.070 -11.956
  303   1HH1  ARG  37          1HH1      ARG  37   9.894 -10.257 -12.616
  304   2HH1  ARG  37          2HH1      ARG  37   9.974 -11.973 -12.395
  305   1HH2  ARG  37          1HH2      ARG  37   6.574 -12.330 -11.664
  306   2HH2  ARG  37          2HH2      ARG  37   8.088 -13.152 -11.855
  307    H    ALA  38           H        ALA  38   6.940  -4.932  -8.095
  308    HA   ALA  38           HA       ALA  38   4.613  -6.670  -8.604
  309   1HB   ALA  38          1HB       ALA  38   5.921  -6.479  -6.273
  310   2HB   ALA  38          2HB       ALA  38   4.762  -5.167  -6.064
  311   3HB   ALA  38          3HB       ALA  38   4.191  -6.805  -6.384
  312    H    ILE  39           H        ILE  39   2.690  -5.262  -7.245
  313    HA   ILE  39           HA       ILE  39   2.410  -2.868  -8.931
  314    HB   ILE  39           HB       ILE  39   0.306  -4.597  -7.629
  315   1HG1  ILE  39          1HG1      ILE  39   1.577  -5.269  -9.813
  316   2HG1  ILE  39          2HG1      ILE  39  -0.177  -5.427  -9.743
  317   1HG2  ILE  39          1HG2      ILE  39  -0.377  -2.265  -7.558
  318   2HG2  ILE  39          2HG2      ILE  39  -0.034  -2.097  -9.280
  319   3HG2  ILE  39          3HG2      ILE  39  -1.337  -3.157  -8.740
  320   1HD1  ILE  39          1HD1      ILE  39   1.287  -3.090 -10.945
  321   2HD1  ILE  39          2HD1      ILE  39   0.638  -4.455 -11.852
  322   3HD1  ILE  39          3HD1      ILE  39  -0.452  -3.381 -10.975
  323    H    ILE  40           H        ILE  40   1.455  -0.967  -8.039
  324    HA   ILE  40           HA       ILE  40   1.982  -0.685  -5.160
  325    HB   ILE  40           HB       ILE  40   1.560   1.656  -6.974
  326   1HG1  ILE  40          1HG1      ILE  40   3.234   0.044  -8.009
  327   2HG1  ILE  40          2HG1      ILE  40   3.822   1.673  -7.695
  328   1HG2  ILE  40          1HG2      ILE  40   2.302   1.238  -4.270
  329   2HG2  ILE  40          2HG2      ILE  40   3.676   1.960  -5.107
  330   3HG2  ILE  40          3HG2      ILE  40   2.105   2.763  -5.132
  331   1HD1  ILE  40          1HD1      ILE  40   4.280  -0.106  -5.457
  332   2HD1  ILE  40          2HD1      ILE  40   5.032  -0.680  -6.945
  333   3HD1  ILE  40          3HD1      ILE  40   5.405   0.931  -6.333
  334    H    LEU  41           H        LEU  41   0.355  -0.363  -3.796
  335    HA   LEU  41           HA       LEU  41  -2.271   0.370  -4.909
  336   1HB   LEU  41          1HB       LEU  41  -1.495  -1.434  -2.639
  337   2HB   LEU  41          2HB       LEU  41  -3.102  -0.740  -2.730
  338    HG   LEU  41           HG       LEU  41  -1.826  -2.775  -4.515
  339   1HD1  LEU  41          1HD1      LEU  41  -3.898  -2.703  -2.542
  340   2HD1  LEU  41          2HD1      LEU  41  -4.568  -3.211  -4.093
  341   3HD1  LEU  41          3HD1      LEU  41  -3.210  -4.089  -3.390
  342   1HD2  LEU  41          1HD2      LEU  41  -4.125  -0.966  -5.241
  343   2HD2  LEU  41          2HD2      LEU  41  -2.575  -1.105  -6.071
  344   3HD2  LEU  41          3HD2      LEU  41  -3.713  -2.453  -6.095
  345    H    GLU  42           H        GLU  42  -3.006   2.300  -4.359
  346    HA   GLU  42           HA       GLU  42  -2.021   3.528  -1.867
  347   1HB   GLU  42          1HB       GLU  42  -1.218   4.726  -3.824
  348   2HB   GLU  42          2HB       GLU  42  -2.855   4.852  -4.453
  349   1HG   GLU  42          1HG       GLU  42  -3.408   6.149  -2.347
  350   2HG   GLU  42          2HG       GLU  42  -1.669   6.230  -2.068
  351    H    THR  43           H        THR  43  -3.496   3.959  -0.350
  352    HA   THR  43           HA       THR  43  -6.331   3.792  -1.109
  353    HB   THR  43           HB       THR  43  -6.810   3.191   1.161
  354    HG1  THR  43           HG1      THR  43  -4.852   4.645   1.845
  355   1HG2  THR  43          1HG2      THR  43  -4.315   1.763   0.277
  356   2HG2  THR  43          2HG2      THR  43  -5.395   1.224   1.562
  357   3HG2  THR  43          3HG2      THR  43  -5.982   1.319  -0.098
  358    H    ARG  44           H        ARG  44  -7.831   5.163   0.218
  359    HA   ARG  44           HA       ARG  44  -7.167   7.892  -0.111
  360   1HB   ARG  44          1HB       ARG  44  -9.335   8.342   0.943
  361   2HB   ARG  44          2HB       ARG  44  -9.468   7.086  -0.281
  362   1HG   ARG  44          1HG       ARG  44  -9.264   5.420   1.628
  363   2HG   ARG  44          2HG       ARG  44  -9.532   6.793   2.703
  364   1HD   ARG  44          1HD       ARG  44 -11.426   6.496   0.457
  365   2HD   ARG  44          2HD       ARG  44 -11.513   5.269   1.720
  366    HE   ARG  44           HE       ARG  44 -11.456   7.776   2.949
  367   1HH1  ARG  44          1HH1      ARG  44 -13.540   5.887   0.897
  368   2HH1  ARG  44          2HH1      ARG  44 -14.997   6.614   1.487
  369   1HH2  ARG  44          1HH2      ARG  44 -13.368   8.740   3.735
  370   2HH2  ARG  44          2HH2      ARG  44 -14.899   8.239   3.100
  371    H    GLN  45           H        GLN  45  -6.310   5.733   2.288
  372    HA   GLN  45           HA       GLN  45  -6.109   7.810   4.349
  373   1HB   GLN  45          1HB       GLN  45  -5.908   4.800   4.491
  374   2HB   GLN  45          2HB       GLN  45  -5.557   5.861   5.847
  375   1HG   GLN  45          1HG       GLN  45  -7.802   6.623   5.945
  376   2HG   GLN  45          2HG       GLN  45  -8.195   5.840   4.415
  377   1HE2  GLN  45          1HE2      GLN  45  -7.285   3.369   4.622
  378   2HE2  GLN  45          2HE2      GLN  45  -8.005   2.530   5.950
  379    H    HIS  46           H        HIS  46  -4.356   7.399   1.921
  380    HA   HIS  46           HA       HIS  46  -2.151   7.618   1.397
  381   1HB   HIS  46          1HB       HIS  46  -1.942   8.171   4.363
  382   2HB   HIS  46          2HB       HIS  46  -0.604   8.355   3.234
  383    HD1  HIS  46           HD1      HIS  46  -2.496   9.640   0.963
  384    HD2  HIS  46           HD2      HIS  46  -2.082  10.900   4.900
  385    HE1  HIS  46           HE1      HIS  46  -3.180  12.060   0.970
  386    HE2  HIS  46           HE2      HIS  46  -2.986  12.783   3.376
  387    H    ARG  47           H        ARG  47  -3.046   5.055   1.600
  388    HA   ARG  47           HA       ARG  47  -0.958   3.603   3.071
  389   1HB   ARG  47          1HB       ARG  47  -3.435   3.069   3.393
  390   2HB   ARG  47          2HB       ARG  47  -3.393   2.403   1.767
  391   1HG   ARG  47          1HG       ARG  47  -1.313   1.106   2.809
  392   2HG   ARG  47          2HG       ARG  47  -2.264   1.347   4.275
  393   1HD   ARG  47          1HD       ARG  47  -3.746   0.410   1.905
  394   2HD   ARG  47          2HD       ARG  47  -2.591  -0.731   2.587
  395    HE   ARG  47           HE       ARG  47  -5.043   0.218   3.809
  396   1HH1  ARG  47          1HH1      ARG  47  -2.012  -1.445   4.222
  397   2HH1  ARG  47          2HH1      ARG  47  -2.513  -2.277   5.656
  398   1HH2  ARG  47          1HH2      ARG  47  -5.716  -0.871   5.697
  399   2HH2  ARG  47          2HH2      ARG  47  -4.620  -1.951   6.495
  400    H    LEU  48           H        LEU  48   0.799   3.485   1.783
  401    HA   LEU  48           HA       LEU  48   0.416   2.588  -0.994
  402   1HB   LEU  48          1HB       LEU  48   3.034   3.645  -0.063
  403   2HB   LEU  48          2HB       LEU  48   2.273   3.773  -1.636
  404    HG   LEU  48           HG       LEU  48   1.337   5.313   0.781
  405   1HD1  LEU  48          1HD1      LEU  48   3.477   5.882  -1.205
  406   2HD1  LEU  48          2HD1      LEU  48   2.452   7.212  -0.665
  407   3HD1  LEU  48          3HD1      LEU  48   3.385   6.284   0.510
  408   1HD2  LEU  48          1HD2      LEU  48   0.706   5.401  -2.156
  409   2HD2  LEU  48          2HD2      LEU  48  -0.401   5.183  -0.800
  410   3HD2  LEU  48          3HD2      LEU  48   0.361   6.750  -1.073
  411    H    PHE  49           H        PHE  49   0.630   0.448  -1.135
  412    HA   PHE  49           HA       PHE  49   2.987  -0.787   0.110
  413   1HB   PHE  49          1HB       PHE  49   0.147  -1.799   0.199
  414   2HB   PHE  49          2HB       PHE  49   1.533  -2.841   0.497
  415    HD1  PHE  49           HD1      PHE  49   0.148   0.437   1.613
  416    HD2  PHE  49           HD2      PHE  49   2.210  -3.139   2.677
  417    HE1  PHE  49           HE1      PHE  49   0.153   1.149   3.970
  418    HE2  PHE  49           HE2      PHE  49   2.221  -2.435   5.041
  419    HZ   PHE  49           HZ       PHE  49   1.193  -0.287   5.689
  420    H    CYS  50           H        CYS  50   3.052  -3.216  -0.803
  421    HA   CYS  50           HA       CYS  50   2.744  -2.982  -3.723
  422   1HB   CYS  50          1HB       CYS  50   4.991  -3.982  -2.043
  423   2HB   CYS  50          2HB       CYS  50   4.690  -4.795  -3.574
  424    H    ALA  51           H        ALA  51   1.230  -4.284  -4.487
  425    HA   ALA  51           HA       ALA  51   0.686  -6.810  -3.077
  426   1HB   ALA  51          1HB       ALA  51  -1.084  -4.865  -3.597
  427   2HB   ALA  51          2HB       ALA  51  -1.250  -5.813  -5.072
  428   3HB   ALA  51          3HB       ALA  51  -1.523  -6.570  -3.503
  429    H    ASP  52           H        ASP  52   0.097  -8.670  -4.394
  430    HA   ASP  52           HA       ASP  52   1.805  -8.847  -6.745
  431   1HB   ASP  52          1HB       ASP  52   1.243 -10.602  -4.680
  432   2HB   ASP  52          2HB       ASP  52   0.319 -11.259  -6.029
  433    HA   PRO  53           HA       PRO  53  -1.539  -8.094  -9.577
  434   1HB   PRO  53          1HB       PRO  53   0.171  -9.761 -11.355
  435   2HB   PRO  53          2HB       PRO  53  -0.524  -8.161 -11.637
  436   1HG   PRO  53          1HG       PRO  53   2.070  -8.444 -11.091
  437   2HG   PRO  53          2HG       PRO  53   1.140  -7.080 -10.443
  438   1HD   PRO  53          1HD       PRO  53   2.080  -9.557  -9.071
  439   2HD   PRO  53          2HD       PRO  53   1.937  -7.902  -8.443
  440    H    LYS  54           H        LYS  54  -0.305 -11.201  -8.672
  441    HA   LYS  54           HA       LYS  54  -2.297 -12.718 -10.090
  442   1HB   LYS  54          1HB       LYS  54  -0.427 -13.563  -7.868
  443   2HB   LYS  54          2HB       LYS  54  -1.386 -14.644  -8.870
  444   1HG   LYS  54          1HG       LYS  54   0.899 -12.896  -9.743
  445   2HG   LYS  54          2HG       LYS  54   0.853 -14.660  -9.684
  446   1HD   LYS  54          1HD       LYS  54  -1.332 -13.910 -11.259
  447   2HD   LYS  54          2HD       LYS  54  -0.004 -12.869 -11.776
  448   1HE   LYS  54          1HE       LYS  54   0.265 -14.725 -13.132
  449   2HE   LYS  54          2HE       LYS  54   1.374 -15.064 -11.804
  450   1HZ   LYS  54          1HZ       LYS  54  -0.924 -16.160 -10.930
  451   2HZ   LYS  54          2HZ       LYS  54  -1.027 -16.451 -12.594
  452   3HZ   LYS  54          3HZ       LYS  54   0.309 -17.010 -11.718
  453    H    GLU  55           H        GLU  55  -2.100 -11.076  -7.085
  454    HA   GLU  55           HA       GLU  55  -3.915 -12.574  -5.548
  455   1HB   GLU  55          1HB       GLU  55  -3.454  -9.587  -5.453
  456   2HB   GLU  55          2HB       GLU  55  -4.141 -10.579  -4.174
  457   1HG   GLU  55          1HG       GLU  55  -1.821 -11.850  -4.467
  458   2HG   GLU  55          2HG       GLU  55  -1.328 -10.253  -5.025
  459    H    GLN  56           H        GLN  56  -6.064 -12.780  -5.616
  460    HA   GLN  56           HA       GLN  56  -7.589 -11.933  -7.780
  461   1HB   GLN  56          1HB       GLN  56  -8.143 -13.813  -6.221
  462   2HB   GLN  56          2HB       GLN  56  -8.647 -12.619  -5.034
  463   1HG   GLN  56          1HG       GLN  56  -9.865 -13.015  -7.759
  464   2HG   GLN  56          2HG       GLN  56 -10.547 -13.566  -6.230
  465   1HE2  GLN  56          2HE2      GLN  56 -10.157 -10.950  -8.391
  466   2HE2  GLN  56          1HE2      GLN  56 -11.049  -9.773  -7.495
  467    H    TRP  57           H        TRP  57  -7.738 -10.687  -4.437
  468    HA   TRP  57           HA       TRP  57  -9.536  -8.633  -4.874
  469   1HB   TRP  57          1HB       TRP  57  -8.825  -7.709  -2.810
  470   2HB   TRP  57          2HB       TRP  57  -8.600  -9.449  -2.660
  471    HD1  TRP  57           HD1      TRP  57  -5.988 -10.331  -2.949
  472    HE1  TRP  57           HE1      TRP  57  -3.801  -9.176  -2.236
  473    HE3  TRP  57           HE3      TRP  57  -7.709  -5.532  -2.504
  474    HZ2  TRP  57           HZ2      TRP  57  -2.919  -6.574  -1.573
  475    HZ3  TRP  57           HZ3      TRP  57  -6.129  -3.766  -1.825
  476    HH2  TRP  57           HH2      TRP  57  -3.782  -4.281  -1.369
  477    H    VAL  58           H        VAL  58  -6.294  -8.872  -5.965
  478    HA   VAL  58           HA       VAL  58  -5.972  -6.004  -6.309
  479    HB   VAL  58           HB       VAL  58  -4.198  -8.327  -7.062
  480   1HG1  VAL  58          1HG1      VAL  58  -3.940  -5.396  -7.608
  481   2HG1  VAL  58          2HG1      VAL  58  -2.506  -6.400  -7.392
  482   3HG1  VAL  58          3HG1      VAL  58  -3.650  -6.762  -8.685
  483   1HG2  VAL  58          1HG2      VAL  58  -4.533  -7.569  -4.618
  484   2HG2  VAL  58          2HG2      VAL  58  -2.888  -7.778  -5.220
  485   3HG2  VAL  58          3HG2      VAL  58  -3.580  -6.162  -5.086
  486    H    LYS  59           H        LYS  59  -6.644  -8.861  -8.243
  487    HA   LYS  59           HA       LYS  59  -6.400  -7.619 -10.778
  488   1HB   LYS  59          1HB       LYS  59  -8.022 -10.030  -9.930
  489   2HB   LYS  59          2HB       LYS  59  -7.718  -9.565 -11.595
  490   1HG   LYS  59          1HG       LYS  59  -5.432 -10.069 -11.435
  491   2HG   LYS  59          2HG       LYS  59  -5.492 -10.147  -9.672
  492   1HD   LYS  59          1HD       LYS  59  -6.706 -12.174  -9.710
  493   2HD   LYS  59          2HD       LYS  59  -7.050 -12.022 -11.433
  494   1HE   LYS  59          1HE       LYS  59  -4.437 -12.051 -11.640
  495   2HE   LYS  59          2HE       LYS  59  -4.527 -12.832 -10.062
  496   1HZ   LYS  59          1HZ       LYS  59  -6.276 -14.310 -11.282
  497   2HZ   LYS  59          2HZ       LYS  59  -5.451 -13.803 -12.669
  498   3HZ   LYS  59          3HZ       LYS  59  -4.621 -14.626 -11.447
  499    H    ASP  60           H        ASP  60  -9.226  -8.385  -8.754
  500    HA   ASP  60           HA       ASP  60 -11.085  -7.056 -10.443
  501   1HB   ASP  60          1HB       ASP  60 -11.831  -8.793  -8.912
  502   2HB   ASP  60          2HB       ASP  60 -11.287  -7.847  -7.530
  503    H    ALA  61           H        ALA  61  -9.445  -6.147  -7.416
  504    HA   ALA  61           HA       ALA  61 -10.601  -3.715  -6.921
  505   1HB   ALA  61          1HB       ALA  61  -7.802  -4.708  -6.536
  506   2HB   ALA  61          2HB       ALA  61  -8.232  -3.050  -6.113
  507   3HB   ALA  61          3HB       ALA  61  -9.054  -4.401  -5.330
  508    H    MET  62           H        MET  62  -7.904  -4.405  -9.124
  509    HA   MET  62           HA       MET  62  -7.638  -1.721 -10.027
  510   1HB   MET  62          1HB       MET  62  -6.666  -4.352 -11.141
  511   2HB   MET  62          2HB       MET  62  -6.303  -2.803 -11.893
  512   1HG   MET  62          1HG       MET  62  -5.394  -2.158  -9.560
  513   2HG   MET  62          2HG       MET  62  -5.369  -3.897  -9.276
  514   1HE   MET  62          1HE       MET  62  -4.767  -5.221 -11.761
  515   2HE   MET  62          2HE       MET  62  -4.721  -3.936 -12.967
  516   3HE   MET  62          3HE       MET  62  -3.257  -4.847 -12.591
  517    H    GLN  63           H        GLN  63  -8.908  -4.636 -11.645
  518    HA   GLN  63           HA       GLN  63  -9.864  -3.524 -13.949
  519   1HB   GLN  63          1HB       GLN  63 -10.419  -5.901 -12.402
  520   2HB   GLN  63          2HB       GLN  63 -11.898  -5.287 -13.129
  521   1HG   GLN  63          1HG       GLN  63 -11.127  -5.593 -15.283
  522   2HG   GLN  63          2HG       GLN  63  -9.434  -5.586 -14.787
  523   1HE2  GLN  63          2HE2      GLN  63  -8.475  -7.457 -14.155
  524   2HE2  GLN  63          1HE2      GLN  63  -9.243  -9.004 -14.230
  525    H    HIS  64           H        HIS  64 -11.036  -3.124 -10.723
  526    HA   HIS  64           HA       HIS  64 -13.600  -2.074 -11.413
  527   1HB   HIS  64          1HB       HIS  64 -13.332  -3.054  -9.239
  528   2HB   HIS  64          2HB       HIS  64 -11.975  -1.994  -8.870
  529    HD1  HIS  64           HD1      HIS  64 -15.441  -2.352  -8.178
  530    HD2  HIS  64           HD2      HIS  64 -12.928   0.879  -8.891
  531    HE1  HIS  64           HE1      HIS  64 -16.643  -0.348  -7.249
  532    HE2  HIS  64           HE2      HIS  64 -15.145   1.608  -7.775
  533    H    LEU  65           H        LEU  65 -10.637  -0.569 -10.125
  534    HA   LEU  65           HA       LEU  65 -11.504   2.084 -10.363
  535   1HB   LEU  65          1HB       LEU  65  -8.830   0.764 -10.180
  536   2HB   LEU  65          2HB       LEU  65  -8.911   2.475 -10.556
  537    HG   LEU  65           HG       LEU  65 -10.150   1.225  -8.104
  538   1HD1  LEU  65          1HD1      LEU  65  -7.592   1.158  -8.314
  539   2HD1  LEU  65          2HD1      LEU  65  -7.673   2.911  -8.137
  540   3HD1  LEU  65          3HD1      LEU  65  -8.290   1.865  -6.857
  541   1HD2  LEU  65          1HD2      LEU  65 -10.119   3.924  -9.279
  542   2HD2  LEU  65          2HD2      LEU  65 -11.281   3.170  -8.188
  543   3HD2  LEU  65          3HD2      LEU  65  -9.781   3.842  -7.551
  544    H    ASP  66           H        ASP  66  -9.976  -0.077 -12.672
  545    HA   ASP  66           HA       ASP  66  -9.474   1.934 -14.638
  546   1HB   ASP  66          1HB       ASP  66  -9.349  -1.048 -14.551
  547   2HB   ASP  66          2HB       ASP  66  -9.383  -0.259 -16.124
  548    H    ARG  67           H        ARG  67 -12.057  -0.400 -14.058
  549    HA   ARG  67           HA       ARG  67 -13.487   0.438 -16.441
  550   1HB   ARG  67          1HB       ARG  67 -13.418  -1.950 -15.598
  551   2HB   ARG  67          2HB       ARG  67 -14.458  -1.429 -14.280
  552   1HG   ARG  67          1HG       ARG  67 -16.280  -1.442 -15.564
  553   2HG   ARG  67          2HG       ARG  67 -15.452  -0.648 -16.905
  554   1HD   ARG  67          1HD       ARG  67 -15.334  -2.581 -17.986
  555   2HD   ARG  67          2HD       ARG  67 -14.405  -3.273 -16.656
  556    HE   ARG  67           HE       ARG  67 -16.914  -3.487 -15.746
  557   1HH1  ARG  67          1HH1      ARG  67 -15.482  -4.311 -18.811
  558   2HH1  ARG  67          2HH1      ARG  67 -16.578  -5.617 -19.119
  559   1HH2  ARG  67          1HH2      ARG  67 -18.363  -5.205 -16.140
  560   2HH2  ARG  67          2HH2      ARG  67 -18.217  -6.126 -17.600
  561    H    GLN  68           H        GLN  68 -13.120   2.589 -14.811
  562    HA   GLN  68           HA       GLN  68 -15.870   3.196 -14.034
  563   1HB   GLN  68          1HB       GLN  68 -13.937   2.633 -12.122
  564   2HB   GLN  68          2HB       GLN  68 -13.962   4.390 -12.184
  565   1HG   GLN  68          1HG       GLN  68 -15.785   4.418 -10.942
  566   2HG   GLN  68          2HG       GLN  68 -16.646   3.481 -12.164
  567   1HE2  GLN  68          2HE2      GLN  68 -15.066   1.135 -11.967
  568   2HE2  GLN  68          1HE2      GLN  68 -15.428   0.385 -10.453
  569    H    ALA  69           H        ALA  69 -12.664   4.751 -13.853
  570    HA   ALA  69           HA       ALA  69 -13.645   7.295 -14.621
  571   1HB   ALA  69          1HB       ALA  69 -11.557   6.853 -13.299
  572   2HB   ALA  69          2HB       ALA  69 -10.790   6.359 -14.808
  573   3HB   ALA  69          3HB       ALA  69 -11.377   8.011 -14.617
  574    H    ALA  70           H        ALA  70 -12.996   4.509 -16.414
  575    HA   ALA  70           HA       ALA  70 -12.611   6.050 -18.891
  576   1HB   ALA  70          1HB       ALA  70 -11.844   3.283 -18.075
  577   2HB   ALA  70          2HB       ALA  70 -12.084   3.655 -19.782
  578   3HB   ALA  70          3HB       ALA  70 -10.876   4.538 -18.850
  579    H    ALA  71           H        ALA  71 -14.389   3.231 -17.624
  580    HA   ALA  71           HA       ALA  71 -16.062   2.810 -19.790
  581   1HB   ALA  71          1HB       ALA  71 -15.731   1.476 -17.564
  582   2HB   ALA  71          2HB       ALA  71 -17.121   2.424 -17.031
  583   3HB   ALA  71          3HB       ALA  71 -17.255   1.379 -18.446
  584    H    LEU  72           H        LEU  72 -16.009   5.404 -17.596
  585    HA   LEU  72           HA       LEU  72 -18.779   6.159 -18.099
  586   1HB   LEU  72          1HB       LEU  72 -16.640   7.060 -16.233
  587   2HB   LEU  72          2HB       LEU  72 -17.896   8.205 -16.660
  588    HG   LEU  72           HG       LEU  72 -18.374   7.014 -14.555
  589   1HD1  LEU  72          1HD1      LEU  72 -20.165   6.764 -16.926
  590   2HD1  LEU  72          2HD1      LEU  72 -20.656   6.050 -15.389
  591   3HD1  LEU  72          3HD1      LEU  72 -20.327   7.779 -15.492
  592   1HD2  LEU  72          1HD2      LEU  72 -18.141   4.628 -16.341
  593   2HD2  LEU  72          2HD2      LEU  72 -17.446   4.901 -14.744
  594   3HD2  LEU  72          3HD2      LEU  72 -19.172   4.581 -14.911
  595    H    THR  73           H        THR  73 -15.544   6.992 -19.069
  596    HA   THR  73           HA       THR  73 -16.406   8.406 -21.347
  597    HB   THR  73           HB       THR  73 -17.013  10.208 -19.909
  598    HG1  THR  73           HG1      THR  73 -16.020  11.574 -21.127
  599   1HG2  THR  73          1HG2      THR  73 -14.286  10.016 -18.654
  600   2HG2  THR  73          2HG2      THR  73 -15.495  11.258 -18.328
  601   3HG2  THR  73          3HG2      THR  73 -15.815   9.580 -17.890
  602    H    ARG  74           H        ARG  74 -14.869   6.826 -22.094
  603    HA   ARG  74           HA       ARG  74 -12.259   6.485 -21.413
  604   1HB   ARG  74          1HB       ARG  74 -13.382   5.212 -23.185
  605   2HB   ARG  74          2HB       ARG  74 -13.348   6.626 -24.231
  606   1HG   ARG  74          1HG       ARG  74 -10.823   6.554 -24.003
  607   2HG   ARG  74          2HG       ARG  74 -11.040   4.956 -23.287
  608   1HD   ARG  74          1HD       ARG  74 -12.238   5.672 -25.944
  609   2HD   ARG  74          2HD       ARG  74 -10.580   5.092 -25.804
  610    HE   ARG  74           HE       ARG  74 -12.375   3.360 -24.456
  611   1HH1  ARG  74          1HH1      ARG  74 -11.271   4.264 -27.633
  612   2HH1  ARG  74          2HH1      ARG  74 -11.632   2.724 -28.338
  613   1HH2  ARG  74          1HH2      ARG  74 -12.852   1.327 -25.374
  614   2HH2  ARG  74          2HH2      ARG  74 -12.532   1.055 -27.055
  615    H    ASN  75           H        ASN  75 -13.150   8.635 -24.117
  616    HA   ASN  75           HA       ASN  75 -10.923  10.391 -23.315
  617   1HB   ASN  75          1HB       ASN  75 -10.732   9.007 -25.513
  618   2HB   ASN  75          2HB       ASN  75 -11.874  10.185 -26.156
  619   1HD2  ASN  75          2HD2      ASN  75  -9.162   9.720 -26.980
  620   2HD2  ASN  75          1HD2      ASN  75  -8.305  11.200 -26.738
  621    H    GLY  76           H        GLY  76 -11.696  12.223 -22.506
  622   1HA   GLY  76          1HA       GLY  76 -13.063  14.163 -23.821
  623   2HA   GLY  76          2HA       GLY  76 -14.344  13.162 -23.157
  Start of MODEL    5
    1   2H    MET   0          2H        MET   0  24.383   0.800  -1.426
    2   3H    MET   0          3H        MET   0  23.910  -0.531  -0.450
    3   1H    MET   0          1H        MET   0  25.039   0.615   0.146
    4    HA   MET   0           HA       MET   0  25.388  -1.602  -1.659
    5   1HB   MET   0          1HB       MET   0  27.187  -0.517  -2.871
    6   2HB   MET   0          2HB       MET   0  25.699   0.390  -3.102
    7   1HG   MET   0          1HG       MET   0  26.602   2.229  -2.269
    8   2HG   MET   0          2HG       MET   0  27.160   1.380  -0.829
    9   1HE   MET   0          1HE       MET   0  28.270   3.731  -1.942
   10   2HE   MET   0          2HE       MET   0  29.926   3.352  -1.474
   11   3HE   MET   0          3HE       MET   0  29.542   3.670  -3.164
   12    H    GLN   1           H        GLN   1  28.073  -1.750  -1.564
   13    HA   GLN   1           HA       GLN   1  29.740  -2.544  -0.226
   14   1HB   GLN   1          1HB       GLN   1  29.024   0.126   0.784
   15   2HB   GLN   1          2HB       GLN   1  29.918  -0.870   1.924
   16   1HG   GLN   1          1HG       GLN   1  31.013  -0.855  -0.792
   17   2HG   GLN   1          2HG       GLN   1  31.032   0.711   0.020
   18   1HE2  GLN   1          2HE2      GLN   1  32.099  -2.619   0.203
   19   2HE2  GLN   1          1HE2      GLN   1  33.405  -2.342   1.299
   20    H    HIS   2           H        HIS   2  27.386  -3.896   0.182
   21    HA   HIS   2           HA       HIS   2  27.800  -5.281   2.522
   22   1HB   HIS   2          1HB       HIS   2  26.627  -2.778   3.089
   23   2HB   HIS   2          2HB       HIS   2  25.352  -3.975   3.290
   24    HD1  HIS   2           HD1      HIS   2  25.692  -3.072   5.870
   25    HD2  HIS   2           HD2      HIS   2  28.635  -5.544   4.290
   26    HE1  HIS   2           HE1      HIS   2  26.959  -3.962   7.852
   27    HE2  HIS   2           HE2      HIS   2  28.686  -5.515   6.876
   28    H    HIS   3           H        HIS   3  25.100  -5.820   3.293
   29    HA   HIS   3           HA       HIS   3  24.322  -7.912   1.854
   30   1HB   HIS   3          1HB       HIS   3  22.928  -6.007   3.533
   31   2HB   HIS   3          2HB       HIS   3  21.866  -6.636   2.280
   32    HD1  HIS   3           HD1      HIS   3  21.564  -9.283   2.241
   33    HD2  HIS   3           HD2      HIS   3  23.424  -7.722   5.612
   34    HE1  HIS   3           HE1      HIS   3  21.467 -11.109   3.968
   35    HE2  HIS   3           HE2      HIS   3  22.489 -10.096   6.037
   36    H    GLY   4           H        GLY   4  22.493  -4.938   1.200
   37   1HA   GLY   4          1HA       GLY   4  22.975  -5.215  -1.660
   38   2HA   GLY   4          2HA       GLY   4  21.320  -5.478  -1.129
   39    H    VAL   5           H        VAL   5  21.863  -3.498  -2.925
   40    HA   VAL   5           HA       VAL   5  21.754  -1.020  -1.338
   41    HB   VAL   5           HB       VAL   5  23.553  -0.983  -2.955
   42   1HG1  VAL   5          1HG1      VAL   5  21.497  -2.125  -4.709
   43   2HG1  VAL   5          2HG1      VAL   5  22.509  -0.893  -5.463
   44   3HG1  VAL   5          3HG1      VAL   5  23.248  -2.320  -4.736
   45   1HG2  VAL   5          1HG2      VAL   5  21.623   0.947  -2.690
   46   2HG2  VAL   5          2HG2      VAL   5  23.184   1.157  -3.483
   47   3HG2  VAL   5          3HG2      VAL   5  21.754   0.767  -4.439
   48    H    THR   6           H        THR   6  19.450  -2.295  -1.181
   49    HA   THR   6           HA       THR   6  17.703  -0.905  -3.105
   50    HB   THR   6           HB       THR   6  16.317  -3.129  -2.010
   51    HG1  THR   6           HG1      THR   6  18.898  -3.747  -2.994
   52   1HG2  THR   6          1HG2      THR   6  17.139  -2.188  -4.668
   53   2HG2  THR   6          2HG2      THR   6  16.822  -3.917  -4.526
   54   3HG2  THR   6          3HG2      THR   6  15.572  -2.753  -4.090
   55    H    LYS   7           H        LYS   7  16.113   0.320  -2.269
   56    HA   LYS   7           HA       LYS   7  14.680  -0.037   0.037
   57   1HB   LYS   7          1HB       LYS   7  15.751   1.592   1.601
   58   2HB   LYS   7          2HB       LYS   7  16.689   0.125   1.349
   59   1HG   LYS   7          1HG       LYS   7  18.349   1.212   0.217
   60   2HG   LYS   7          2HG       LYS   7  17.272   2.487  -0.359
   61   1HD   LYS   7          1HD       LYS   7  18.007   3.789   1.286
   62   2HD   LYS   7          2HD       LYS   7  17.291   2.670   2.449
   63   1HE   LYS   7          1HE       LYS   7  19.333   2.190   3.178
   64   2HE   LYS   7          2HE       LYS   7  19.699   1.496   1.599
   65   1HZ   LYS   7          1HZ       LYS   7  19.985   4.158   1.188
   66   2HZ   LYS   7          2HZ       LYS   7  20.585   3.968   2.759
   67   3HZ   LYS   7          3HZ       LYS   7  21.249   3.074   1.487
   68    H    CYS   8           H        CYS   8  14.222   0.906  -2.490
   69    HA   CYS   8           HA       CYS   8  14.170   3.705  -2.744
   70   1HB   CYS   8          1HB       CYS   8  12.861   3.375  -4.663
   71   2HB   CYS   8          2HB       CYS   8  13.816   1.902  -4.549
   72    H    ASN   9           H        ASN   9  12.445   5.177  -2.552
   73    HA   ASN   9           HA       ASN   9  11.136   5.416  -0.242
   74   1HB   ASN   9          1HB       ASN   9   9.201   6.476  -1.767
   75   2HB   ASN   9          2HB       ASN   9  10.754   7.269  -1.516
   76   1HD2  ASN   9          2HD2      ASN   9   8.802   5.417  -3.727
   77   2HD2  ASN   9          1HD2      ASN   9   9.726   5.764  -5.144
   78    H    ILE  10           H        ILE  10   9.968   3.508  -2.976
   79    HA   ILE  10           HA       ILE  10   8.075   2.192  -1.147
   80    HB   ILE  10           HB       ILE  10   6.765   3.688  -2.529
   81   1HG1  ILE  10          1HG1      ILE  10   6.256   1.045  -3.811
   82   2HG1  ILE  10          2HG1      ILE  10   6.189   1.135  -2.054
   83   1HG2  ILE  10          1HG2      ILE  10   8.621   3.396  -4.435
   84   2HG2  ILE  10          2HG2      ILE  10   7.401   2.278  -5.047
   85   3HG2  ILE  10          3HG2      ILE  10   6.985   3.968  -4.763
   86   1HD1  ILE  10          1HD1      ILE  10   4.542   2.964  -2.266
   87   2HD1  ILE  10          2HD1      ILE  10   4.540   2.706  -4.011
   88   3HD1  ILE  10          3HD1      ILE  10   3.991   1.426  -2.929
   89    H    THR  11           H        THR  11   9.477   0.437  -0.911
   90    HA   THR  11           HA       THR  11  10.091  -1.086  -3.347
   91    HB   THR  11           HB       THR  11  11.299  -1.103  -0.585
   92    HG1  THR  11           HG1      THR  11  12.614  -0.859  -3.064
   93   1HG2  THR  11          1HG2      THR  11  11.041  -3.441  -1.550
   94   2HG2  THR  11          2HG2      THR  11  12.188  -2.927  -2.787
   95   3HG2  THR  11          3HG2      THR  11  12.664  -2.925  -1.089
   96    H    CYS  12           H        CYS  12   9.265  -3.070  -3.694
   97    HA   CYS  12           HA       CYS  12   7.194  -3.989  -1.867
   98   1HB   CYS  12          1HB       CYS  12   7.947  -5.167  -4.544
   99   2HB   CYS  12          2HB       CYS  12   6.442  -5.392  -3.659
  100    H    SER  13           H        SER  13   9.303  -4.396  -0.457
  101    HA   SER  13           HA       SER  13  10.706  -6.830  -1.007
  102   1HB   SER  13          1HB       SER  13  11.715  -5.007   0.324
  103   2HB   SER  13          2HB       SER  13  10.507  -5.268   1.581
  104    HG   SER  13           HG       SER  13  11.519  -7.028   2.209
  105    H    LYS  14           H        LYS  14   7.646  -6.122   0.213
  106    HA   LYS  14           HA       LYS  14   7.224  -8.900   0.925
  107   1HB   LYS  14          1HB       LYS  14   7.395  -6.749   2.915
  108   2HB   LYS  14          2HB       LYS  14   5.924  -7.706   3.026
  109   1HG   LYS  14          1HG       LYS  14   8.713  -8.843   3.023
  110   2HG   LYS  14          2HG       LYS  14   7.747  -8.533   4.468
  111   1HD   LYS  14          1HD       LYS  14   5.969 -10.012   3.295
  112   2HD   LYS  14          2HD       LYS  14   7.325 -10.566   2.309
  113   1HE   LYS  14          1HE       LYS  14   7.893 -11.979   3.924
  114   2HE   LYS  14          2HE       LYS  14   8.185 -10.610   4.997
  115   1HZ   LYS  14          1HZ       LYS  14   5.417 -11.470   4.650
  116   2HZ   LYS  14          2HZ       LYS  14   6.428 -12.481   5.556
  117   3HZ   LYS  14          3HZ       LYS  14   6.199 -10.873   6.025
  118    H    MET  15           H        MET  15   4.998  -9.492   0.992
  119    HA   MET  15           HA       MET  15   3.342  -7.742  -0.645
  120   1HB   MET  15          1HB       MET  15   3.138 -10.633   0.176
  121   2HB   MET  15          2HB       MET  15   1.799  -9.798  -0.600
  122   1HG   MET  15          1HG       MET  15   3.034 -11.011  -2.252
  123   2HG   MET  15          2HG       MET  15   3.267  -9.284  -2.512
  124   1HE   MET  15          1HE       MET  15   4.960  -8.956  -3.690
  125   2HE   MET  15          2HE       MET  15   6.238  -8.345  -2.639
  126   3HE   MET  15          3HE       MET  15   6.546  -9.726  -3.692
  127    H    THR  16           H        THR  16   1.585  -6.680   0.049
  128    HA   THR  16           HA       THR  16   1.098  -6.463   2.856
  129    HB   THR  16           HB       THR  16   0.849  -4.639   1.063
  130    HG1  THR  16           HG1      THR  16  -0.850  -3.677   2.262
  131   1HG2  THR  16          1HG2      THR  16  -1.203  -6.380   0.168
  132   2HG2  THR  16          2HG2      THR  16  -1.944  -4.891   0.757
  133   3HG2  THR  16          3HG2      THR  16  -0.701  -4.824  -0.494
  134    H    SER  17           H        SER  17  -1.596  -6.223   3.145
  135    HA   SER  17           HA       SER  17  -2.491  -8.999   2.799
  136   1HB   SER  17          1HB       SER  17  -3.928  -7.152   4.638
  137   2HB   SER  17          2HB       SER  17  -3.569  -8.868   4.820
  138    HG   SER  17           HG       SER  17  -1.629  -8.402   5.614
  139    H    LYS  18           H        LYS  18  -5.097  -8.970   2.987
  140    HA   LYS  18           HA       LYS  18  -5.948  -7.768   0.520
  141   1HB   LYS  18          1HB       LYS  18  -6.687 -10.022   1.189
  142   2HB   LYS  18          2HB       LYS  18  -7.532  -9.329   2.567
  143   1HG   LYS  18          1HG       LYS  18  -9.154  -8.332   1.227
  144   2HG   LYS  18          2HG       LYS  18  -8.163  -8.460  -0.227
  145   1HD   LYS  18          1HD       LYS  18  -8.753 -10.616  -0.605
  146   2HD   LYS  18          2HD       LYS  18  -8.864 -10.998   1.115
  147   1HE   LYS  18          1HE       LYS  18 -10.937  -9.361   0.973
  148   2HE   LYS  18          2HE       LYS  18 -10.908  -9.858  -0.719
  149   1HZ   LYS  18          1HZ       LYS  18 -11.002 -11.733   1.582
  150   2HZ   LYS  18          2HZ       LYS  18 -12.350 -11.256   0.676
  151   3HZ   LYS  18          3HZ       LYS  18 -11.109 -12.140  -0.057
  152    H    ILE  19           H        ILE  19  -6.495  -5.693   0.422
  153    HA   ILE  19           HA       ILE  19  -7.926  -4.504   2.705
  154    HB   ILE  19           HB       ILE  19  -6.445  -2.986   0.562
  155   1HG1  ILE  19          1HG1      ILE  19  -5.399  -3.463   3.344
  156   2HG1  ILE  19          2HG1      ILE  19  -5.041  -4.586   2.035
  157   1HG2  ILE  19          1HG2      ILE  19  -8.272  -1.889   1.953
  158   2HG2  ILE  19          2HG2      ILE  19  -7.183  -2.071   3.327
  159   3HG2  ILE  19          3HG2      ILE  19  -6.695  -1.097   1.941
  160   1HD1  ILE  19          1HD1      ILE  19  -4.508  -1.926   1.158
  161   2HD1  ILE  19          2HD1      ILE  19  -3.701  -2.213   2.699
  162   3HD1  ILE  19          3HD1      ILE  19  -3.401  -3.288   1.334
  163    HA   PRO  20           HA       PRO  20 -11.583  -4.181   0.257
  164   1HB   PRO  20          1HB       PRO  20 -12.569  -1.869   1.413
  165   2HB   PRO  20          2HB       PRO  20 -12.773  -3.494   2.076
  166   1HG   PRO  20          1HG       PRO  20 -10.778  -1.386   2.798
  167   2HG   PRO  20          2HG       PRO  20 -11.674  -2.488   3.858
  168   1HD   PRO  20          1HD       PRO  20  -9.114  -2.940   3.250
  169   2HD   PRO  20          2HD       PRO  20 -10.272  -4.280   3.389
  170    H    VAL  21           H        VAL  21 -11.708  -3.461  -1.771
  171    HA   VAL  21           HA       VAL  21 -10.086  -1.439  -2.838
  172    HB   VAL  21           HB       VAL  21 -12.685  -2.027  -4.174
  173   1HG1  VAL  21          1HG1      VAL  21 -10.667  -0.629  -5.035
  174   2HG1  VAL  21          2HG1      VAL  21  -9.963  -2.207  -5.393
  175   3HG1  VAL  21          3HG1      VAL  21 -11.495  -1.735  -6.129
  176   1HG2  VAL  21          1HG2      VAL  21 -10.592  -4.058  -3.543
  177   2HG2  VAL  21          2HG2      VAL  21 -12.348  -4.215  -3.542
  178   3HG2  VAL  21          3HG2      VAL  21 -11.469  -4.146  -5.070
  179    H    ALA  22           H        ALA  22 -13.074  -1.305  -1.159
  180    HA   ALA  22           HA       ALA  22 -14.217   1.026  -2.137
  181   1HB   ALA  22          1HB       ALA  22 -15.036  -0.682  -0.335
  182   2HB   ALA  22          2HB       ALA  22 -14.294   0.455   0.790
  183   3HB   ALA  22          3HB       ALA  22 -15.584   0.993  -0.285
  184    H    LEU  23           H        LEU  23 -11.288   0.616  -0.454
  185    HA   LEU  23           HA       LEU  23 -11.210   3.446   0.331
  186   1HB   LEU  23          1HB       LEU  23  -9.147   1.393   1.066
  187   2HB   LEU  23          2HB       LEU  23  -9.514   2.911   1.865
  188    HG   LEU  23           HG       LEU  23 -11.233   0.431   1.880
  189   1HD1  LEU  23          1HD1      LEU  23  -9.082   0.559   3.282
  190   2HD1  LEU  23          2HD1      LEU  23  -9.954   1.753   4.245
  191   3HD1  LEU  23          3HD1      LEU  23 -10.585   0.113   4.092
  192   1HD2  LEU  23          1HD2      LEU  23 -11.709   3.225   2.822
  193   2HD2  LEU  23          2HD2      LEU  23 -12.797   2.122   1.982
  194   3HD2  LEU  23          3HD2      LEU  23 -12.428   1.865   3.686
  195    H    LEU  24           H        LEU  24  -9.821   1.083  -1.794
  196    HA   LEU  24           HA       LEU  24  -7.425   2.341  -2.484
  197   1HB   LEU  24          1HB       LEU  24  -9.267   0.456  -3.895
  198   2HB   LEU  24          2HB       LEU  24  -7.937   1.176  -4.780
  199    HG   LEU  24           HG       LEU  24  -7.679  -0.507  -2.285
  200   1HD1  LEU  24          1HD1      LEU  24  -8.045  -1.253  -4.979
  201   2HD1  LEU  24          2HD1      LEU  24  -6.354  -1.560  -4.580
  202   3HD1  LEU  24          3HD1      LEU  24  -7.634  -2.283  -3.607
  203   1HD2  LEU  24          1HD2      LEU  24  -5.893   1.367  -3.499
  204   2HD2  LEU  24          2HD2      LEU  24  -5.649   0.362  -2.071
  205   3HD2  LEU  24          3HD2      LEU  24  -5.239  -0.263  -3.669
  206    H    ILE  25           H        ILE  25  -6.935   4.090  -3.659
  207    HA   ILE  25           HA       ILE  25  -9.145   5.458  -5.047
  208    HB   ILE  25           HB       ILE  25  -8.013   7.550  -4.671
  209   1HG1  ILE  25          1HG1      ILE  25  -5.836   5.826  -3.482
  210   2HG1  ILE  25          2HG1      ILE  25  -5.708   6.936  -4.843
  211   1HG2  ILE  25          1HG2      ILE  25  -9.457   6.532  -2.882
  212   2HG2  ILE  25          2HG2      ILE  25  -7.971   6.046  -2.067
  213   3HG2  ILE  25          3HG2      ILE  25  -8.315   7.757  -2.328
  214   1HD1  ILE  25          1HD1      ILE  25  -6.538   8.587  -2.836
  215   2HD1  ILE  25          2HD1      ILE  25  -5.497   7.444  -1.985
  216   3HD1  ILE  25          3HD1      ILE  25  -4.868   8.359  -3.354
  217    H    HIS  26           H        HIS  26  -5.757   4.498  -5.277
  218    HA   HIS  26           HA       HIS  26  -5.955   4.614  -8.172
  219   1HB   HIS  26          1HB       HIS  26  -4.546   6.621  -6.616
  220   2HB   HIS  26          2HB       HIS  26  -3.467   5.791  -7.732
  221    HD1  HIS  26           HD1      HIS  26  -4.767   5.578 -10.279
  222    HD2  HIS  26           HD2      HIS  26  -5.594   8.802  -7.791
  223    HE1  HIS  26           HE1      HIS  26  -5.695   7.367 -11.783
  224    HE2  HIS  26           HE2      HIS  26  -6.261   9.279 -10.245
  225    H    TYR  27           H        TYR  27  -4.252   3.493  -9.262
  226    HA   TYR  27           HA       TYR  27  -2.556   1.812  -7.555
  227   1HB   TYR  27          1HB       TYR  27  -3.245  -0.187  -8.502
  228   2HB   TYR  27          2HB       TYR  27  -4.763   0.703  -8.444
  229    HD1  TYR  27           HD1      TYR  27  -5.462   1.967 -10.584
  230    HD2  TYR  27           HD2      TYR  27  -2.482  -1.081 -10.520
  231    HE1  TYR  27           HE1      TYR  27  -5.746   1.647 -13.012
  232    HE2  TYR  27           HE2      TYR  27  -2.757  -1.409 -12.946
  233    HH   TYR  27           HH       TYR  27  -4.094   0.690 -14.948
  234    H    GLN  28           H        GLN  28  -0.549   1.371  -8.374
  235    HA   GLN  28           HA       GLN  28   0.024   2.190 -11.124
  236   1HB   GLN  28          1HB       GLN  28   2.290   2.964  -9.692
  237   2HB   GLN  28          2HB       GLN  28   1.104   4.020 -10.448
  238   1HG   GLN  28          1HG       GLN  28   0.400   2.996  -7.783
  239   2HG   GLN  28          2HG       GLN  28   1.758   4.118  -7.850
  240   1HE2  GLN  28          2HE2      GLN  28  -0.386   4.899  -6.476
  241   2HE2  GLN  28          1HE2      GLN  28  -1.270   6.112  -7.331
  242    H    GLN  29           H        GLN  29   2.377   1.568 -11.688
  243    HA   GLN  29           HA       GLN  29   2.801  -1.168 -10.703
  244   1HB   GLN  29          1HB       GLN  29   2.442  -0.414 -13.243
  245   2HB   GLN  29          2HB       GLN  29   4.183  -0.185 -13.145
  246   1HG   GLN  29          1HG       GLN  29   4.609  -2.410 -12.940
  247   2HG   GLN  29          2HG       GLN  29   3.069  -2.745 -12.149
  248   1HE2  GLN  29          2HE2      GLN  29   1.260  -1.744 -13.888
  249   2HE2  GLN  29          1HE2      GLN  29   1.336  -2.591 -15.392
  250    H    ASN  30           H        ASN  30   4.554  -1.634  -9.546
  251    HA   ASN  30           HA       ASN  30   6.241   0.062  -8.344
  252   1HB   ASN  30          1HB       ASN  30   6.133  -2.477  -8.115
  253   2HB   ASN  30          2HB       ASN  30   7.286  -2.543  -9.445
  254   1HD2  ASN  30          2HD2      ASN  30   8.149  -3.694  -7.290
  255   2HD2  ASN  30          1HD2      ASN  30   9.287  -2.726  -6.423
  256    H    GLN  31           H        GLN  31   7.852   1.409  -8.846
  257    HA   GLN  31           HA       GLN  31   8.452   2.218 -11.400
  258   1HB   GLN  31          1HB       GLN  31   9.992   2.393  -8.829
  259   2HB   GLN  31          2HB       GLN  31  10.674   3.025 -10.321
  260   1HG   GLN  31          1HG       GLN  31   8.539   4.373 -10.552
  261   2HG   GLN  31          2HG       GLN  31   8.200   3.920  -8.882
  262   1HE2  GLN  31          2HE2      GLN  31   8.849   5.311  -7.416
  263   2HE2  GLN  31          1HE2      GLN  31  10.142   6.443  -7.580
  264    H    ALA  32           H        ALA  32  10.253   1.920 -12.790
  265    HA   ALA  32           HA       ALA  32  11.102  -0.809 -12.990
  266   1HB   ALA  32          1HB       ALA  32  11.130   1.558 -14.674
  267   2HB   ALA  32          2HB       ALA  32  12.610   0.609 -14.815
  268   3HB   ALA  32          3HB       ALA  32  11.046  -0.145 -15.118
  269    H    SER  33           H        SER  33  12.038  -0.174 -10.612
  270    HA   SER  33           HA       SER  33  14.621  -0.871 -10.469
  271   1HB   SER  33          1HB       SER  33  15.741   1.458 -10.085
  272   2HB   SER  33          2HB       SER  33  15.535   0.865 -11.734
  273    HG   SER  33           HG       SER  33  14.669   3.126 -10.767
  274    H    CYS  34           H        CYS  34  12.327  -1.025  -8.921
  275    HA   CYS  34           HA       CYS  34  13.113   0.400  -6.465
  276   1HB   CYS  34          1HB       CYS  34  10.563   0.149  -7.764
  277   2HB   CYS  34          2HB       CYS  34  10.484  -0.603  -6.175
  278    H    GLY  35           H        GLY  35  11.034  -2.419  -7.093
  279   1HA   GLY  35          1HA       GLY  35  12.865  -4.053  -5.467
  280   2HA   GLY  35          2HA       GLY  35  11.162  -3.981  -5.048
  281    H    LYS  36           H        LYS  36  10.238  -5.842  -5.585
  282    HA   LYS  36           HA       LYS  36  11.177  -7.344  -7.885
  283   1HB   LYS  36          1HB       LYS  36   8.972  -8.002  -5.925
  284   2HB   LYS  36          2HB       LYS  36   9.666  -9.097  -7.111
  285   1HG   LYS  36          1HG       LYS  36  11.087  -9.758  -5.556
  286   2HG   LYS  36          2HG       LYS  36  11.833  -8.160  -5.628
  287   1HD   LYS  36          1HD       LYS  36  11.090  -7.659  -3.590
  288   2HD   LYS  36          2HD       LYS  36   9.434  -8.077  -4.042
  289   1HE   LYS  36          1HE       LYS  36   9.715 -10.324  -3.415
  290   2HE   LYS  36          2HE       LYS  36  11.472 -10.176  -3.364
  291   1HZ   LYS  36          1HZ       LYS  36  11.167  -8.623  -1.467
  292   2HZ   LYS  36          2HZ       LYS  36   9.519  -9.000  -1.465
  293   3HZ   LYS  36          3HZ       LYS  36  10.661 -10.206  -1.143
  294    H    ARG  37           H        ARG  37   9.233  -8.495  -9.103
  295    HA   ARG  37           HA       ARG  37   7.902  -6.404 -10.532
  296   1HB   ARG  37          1HB       ARG  37   8.798  -8.560 -11.522
  297   2HB   ARG  37          2HB       ARG  37   7.416  -9.370 -10.797
  298   1HG   ARG  37          1HG       ARG  37   6.219  -8.874 -12.587
  299   2HG   ARG  37          2HG       ARG  37   6.406  -7.158 -12.217
  300   1HD   ARG  37          1HD       ARG  37   8.789  -8.259 -13.437
  301   2HD   ARG  37          2HD       ARG  37   7.367  -8.500 -14.453
  302    HE   ARG  37           HE       ARG  37   7.221  -5.885 -13.686
  303   1HH1  ARG  37          1HH1      ARG  37   9.613  -7.855 -15.276
  304   2HH1  ARG  37          2HH1      ARG  37  10.270  -6.543 -16.196
  305   1HH2  ARG  37          1HH2      ARG  37   8.079  -4.149 -14.893
  306   2HH2  ARG  37          2HH2      ARG  37   9.398  -4.436 -15.978
  307    H    ALA  38           H        ALA  38   6.854  -5.762  -8.353
  308    HA   ALA  38           HA       ALA  38   4.304  -7.199  -8.026
  309   1HB   ALA  38          1HB       ALA  38   6.012  -6.828  -6.070
  310   2HB   ALA  38          2HB       ALA  38   5.275  -5.227  -6.012
  311   3HB   ALA  38          3HB       ALA  38   4.277  -6.664  -5.793
  312    H    ILE  39           H        ILE  39   2.693  -5.439  -6.890
  313    HA   ILE  39           HA       ILE  39   2.543  -3.218  -8.824
  314    HB   ILE  39           HB       ILE  39   0.326  -4.771  -7.492
  315   1HG1  ILE  39          1HG1      ILE  39   1.582  -5.531  -9.664
  316   2HG1  ILE  39          2HG1      ILE  39  -0.175  -5.623  -9.589
  317   1HG2  ILE  39          1HG2      ILE  39   0.181  -2.237  -9.115
  318   2HG2  ILE  39          2HG2      ILE  39  -1.207  -3.257  -8.741
  319   3HG2  ILE  39          3HG2      ILE  39  -0.320  -2.466  -7.439
  320   1HD1  ILE  39          1HD1      ILE  39  -0.261  -3.420 -10.746
  321   2HD1  ILE  39          2HD1      ILE  39   1.488  -3.523 -10.951
  322   3HD1  ILE  39          3HD1      ILE  39   0.439  -4.725 -11.704
  323    H    ILE  40           H        ILE  40   1.406  -1.275  -8.044
  324    HA   ILE  40           HA       ILE  40   1.990  -0.796  -5.196
  325    HB   ILE  40           HB       ILE  40   1.818   1.271  -7.390
  326   1HG1  ILE  40          1HG1      ILE  40   3.733  -0.397  -7.576
  327   2HG1  ILE  40          2HG1      ILE  40   4.188   1.302  -7.488
  328   1HG2  ILE  40          1HG2      ILE  40   2.737   1.421  -4.524
  329   2HG2  ILE  40          2HG2      ILE  40   2.926   2.714  -5.708
  330   3HG2  ILE  40          3HG2      ILE  40   1.313   2.190  -5.225
  331   1HD1  ILE  40          1HD1      ILE  40   4.087  -0.328  -4.996
  332   2HD1  ILE  40          2HD1      ILE  40   5.466  -0.464  -6.087
  333   3HD1  ILE  40          3HD1      ILE  40   5.058   1.095  -5.373
  334    H    LEU  41           H        LEU  41   0.348  -0.314  -3.883
  335    HA   LEU  41           HA       LEU  41  -2.223   0.455  -5.103
  336   1HB   LEU  41          1HB       LEU  41  -1.627  -1.267  -2.708
  337   2HB   LEU  41          2HB       LEU  41  -3.211  -0.575  -2.988
  338    HG   LEU  41           HG       LEU  41  -1.778  -2.647  -4.625
  339   1HD1  LEU  41          1HD1      LEU  41  -3.852  -2.654  -2.651
  340   2HD1  LEU  41          2HD1      LEU  41  -4.482  -3.253  -4.185
  341   3HD1  LEU  41          3HD1      LEU  41  -3.069  -4.016  -3.454
  342   1HD2  LEU  41          1HD2      LEU  41  -4.053  -0.855  -5.406
  343   2HD2  LEU  41          2HD2      LEU  41  -2.596  -1.258  -6.314
  344   3HD2  LEU  41          3HD2      LEU  41  -3.865  -2.464  -6.102
  345    H    GLU  42           H        GLU  42  -3.165   2.284  -4.428
  346    HA   GLU  42           HA       GLU  42  -2.108   3.580  -2.001
  347   1HB   GLU  42          1HB       GLU  42  -1.241   4.756  -3.936
  348   2HB   GLU  42          2HB       GLU  42  -2.853   4.880  -4.627
  349   1HG   GLU  42          1HG       GLU  42  -3.551   6.385  -2.915
  350   2HG   GLU  42          2HG       GLU  42  -2.057   6.132  -2.013
  351    H    THR  43           H        THR  43  -3.612   3.959  -0.509
  352    HA   THR  43           HA       THR  43  -6.432   3.896  -1.338
  353    HB   THR  43           HB       THR  43  -6.989   3.041   0.747
  354    HG1  THR  43           HG1      THR  43  -6.158   3.878   2.459
  355   1HG2  THR  43          1HG2      THR  43  -4.320   2.020  -0.074
  356   2HG2  THR  43          2HG2      THR  43  -5.024   1.480   1.449
  357   3HG2  THR  43          3HG2      THR  43  -5.887   1.209  -0.067
  358    H    ARG  44           H        ARG  44  -7.945   5.277  -0.168
  359    HA   ARG  44           HA       ARG  44  -7.326   7.978  -0.360
  360   1HB   ARG  44          1HB       ARG  44  -9.591   6.394   0.305
  361   2HB   ARG  44          2HB       ARG  44  -9.437   7.646   1.528
  362   1HG   ARG  44          1HG       ARG  44  -9.157   9.226  -0.524
  363   2HG   ARG  44          2HG       ARG  44  -9.940   7.907  -1.397
  364   1HD   ARG  44          1HD       ARG  44 -11.268   8.538   1.111
  365   2HD   ARG  44          2HD       ARG  44 -11.205   9.918   0.016
  366    HE   ARG  44           HE       ARG  44 -12.048   7.581  -1.350
  367   1HH1  ARG  44          1HH1      ARG  44 -13.140  10.021   0.881
  368   2HH1  ARG  44          2HH1      ARG  44 -14.806   9.874   0.431
  369   1HH2  ARG  44          1HH2      ARG  44 -14.240   7.376  -1.950
  370   2HH2  ARG  44          2HH2      ARG  44 -15.431   8.369  -1.179
  371    H    GLN  45           H        GLN  45  -6.482   5.805   2.107
  372    HA   GLN  45           HA       GLN  45  -6.154   7.972   4.059
  373   1HB   GLN  45          1HB       GLN  45  -6.022   4.972   4.411
  374   2HB   GLN  45          2HB       GLN  45  -5.758   6.144   5.696
  375   1HG   GLN  45          1HG       GLN  45  -7.995   6.835   5.680
  376   2HG   GLN  45          2HG       GLN  45  -8.303   6.084   4.115
  377   1HE2  GLN  45          2HE2      GLN  45  -7.342   3.594   4.399
  378   2HE2  GLN  45          1HE2      GLN  45  -8.194   2.745   5.639
  379    H    HIS  46           H        HIS  46  -4.444   7.719   1.751
  380    HA   HIS  46           HA       HIS  46  -2.243   7.711   1.163
  381   1HB   HIS  46          1HB       HIS  46  -1.945   8.345   4.105
  382   2HB   HIS  46          2HB       HIS  46  -0.672   8.535   2.904
  383    HD1  HIS  46           HD1      HIS  46  -3.134   9.636   0.883
  384    HD2  HIS  46           HD2      HIS  46  -1.676  11.197   4.446
  385    HE1  HIS  46           HE1      HIS  46  -3.746  12.075   0.848
  386    HE2  HIS  46           HE2      HIS  46  -2.781  13.016   2.976
  387    H    ARG  47           H        ARG  47  -3.166   5.185   1.431
  388    HA   ARG  47           HA       ARG  47  -1.116   3.742   2.970
  389   1HB   ARG  47          1HB       ARG  47  -3.788   3.350   2.953
  390   2HB   ARG  47          2HB       ARG  47  -3.310   2.249   1.673
  391   1HG   ARG  47          1HG       ARG  47  -1.543   1.829   3.818
  392   2HG   ARG  47          2HG       ARG  47  -3.175   1.889   4.476
  393   1HD   ARG  47          1HD       ARG  47  -3.587   0.360   2.293
  394   2HD   ARG  47          2HD       ARG  47  -1.928  -0.086   2.686
  395    HE   ARG  47           HE       ARG  47  -2.744  -1.283   4.441
  396   1HH1  ARG  47          1HH1      ARG  47  -5.082   1.154   3.596
  397   2HH1  ARG  47          2HH1      ARG  47  -6.263   0.600   4.735
  398   1HH2  ARG  47          1HH2      ARG  47  -4.293  -2.022   5.944
  399   2HH2  ARG  47          2HH2      ARG  47  -5.814  -1.204   6.071
  400    H    LEU  48           H        LEU  48   0.649   3.623   1.684
  401    HA   LEU  48           HA       LEU  48   0.295   2.707  -1.086
  402   1HB   LEU  48          1HB       LEU  48   2.496   4.194   0.311
  403   2HB   LEU  48          2HB       LEU  48   2.785   3.379  -1.213
  404    HG   LEU  48           HG       LEU  48   0.934   5.694  -0.690
  405   1HD1  LEU  48          1HD1      LEU  48   3.485   5.272  -2.181
  406   2HD1  LEU  48          2HD1      LEU  48   2.351   6.514  -2.715
  407   3HD1  LEU  48          3HD1      LEU  48   3.024   6.576  -1.086
  408   1HD2  LEU  48          1HD2      LEU  48   0.740   3.598  -2.692
  409   2HD2  LEU  48          2HD2      LEU  48  -0.410   4.863  -2.262
  410   3HD2  LEU  48          3HD2      LEU  48   0.889   5.204  -3.405
  411    H    PHE  49           H        PHE  49   0.093   0.508  -0.807
  412    HA   PHE  49           HA       PHE  49   2.466  -0.857   0.278
  413   1HB   PHE  49          1HB       PHE  49  -0.442  -1.642   0.491
  414   2HB   PHE  49          2HB       PHE  49   0.881  -2.753   0.835
  415    HD1  PHE  49           HD1      PHE  49   0.134   0.808   1.684
  416    HD2  PHE  49           HD2      PHE  49   1.189  -3.077   3.084
  417    HE1  PHE  49           HE1      PHE  49   0.262   1.679   3.981
  418    HE2  PHE  49           HE2      PHE  49   1.316  -2.215   5.391
  419    HZ   PHE  49           HZ       PHE  49   0.852   0.166   5.841
  420    H    CYS  50           H        CYS  50   3.072  -2.830  -0.733
  421    HA   CYS  50           HA       CYS  50   2.421  -2.864  -3.573
  422   1HB   CYS  50          1HB       CYS  50   4.584  -4.146  -1.918
  423   2HB   CYS  50          2HB       CYS  50   4.301  -4.620  -3.589
  424    H    ALA  51           H        ALA  51   1.188  -4.357  -4.526
  425    HA   ALA  51           HA       ALA  51   0.471  -6.761  -2.977
  426   1HB   ALA  51          1HB       ALA  51  -1.341  -5.002  -3.159
  427   2HB   ALA  51          2HB       ALA  51  -1.399  -5.374  -4.882
  428   3HB   ALA  51          3HB       ALA  51  -1.773  -6.626  -3.696
  429    H    ASP  52           H        ASP  52   0.566  -8.681  -4.017
  430    HA   ASP  52           HA       ASP  52   1.936  -8.823  -6.509
  431   1HB   ASP  52          1HB       ASP  52   1.612 -10.535  -4.402
  432   2HB   ASP  52          2HB       ASP  52   0.549 -11.258  -5.606
  433    HA   PRO  53           HA       PRO  53  -1.503  -8.336  -9.278
  434   1HB   PRO  53          1HB       PRO  53   0.229  -9.999 -11.036
  435   2HB   PRO  53          2HB       PRO  53  -0.535  -8.439 -11.360
  436   1HG   PRO  53          1HG       PRO  53   2.079  -8.598 -10.873
  437   2HG   PRO  53          2HG       PRO  53   1.113  -7.251 -10.241
  438   1HD   PRO  53          1HD       PRO  53   2.176  -9.654  -8.822
  439   2HD   PRO  53          2HD       PRO  53   2.005  -7.984  -8.244
  440    H    LYS  54           H        LYS  54  -0.070 -11.372  -8.372
  441    HA   LYS  54           HA       LYS  54  -2.029 -13.028  -9.650
  442   1HB   LYS  54          1HB       LYS  54  -0.286 -13.856  -7.339
  443   2HB   LYS  54          2HB       LYS  54  -0.936 -14.860  -8.629
  444   1HG   LYS  54          1HG       LYS  54   0.902 -12.659  -9.385
  445   2HG   LYS  54          2HG       LYS  54   1.586 -14.081  -8.591
  446   1HD   LYS  54          1HD       LYS  54   0.555 -15.514 -10.298
  447   2HD   LYS  54          2HD       LYS  54  -0.102 -14.082 -11.094
  448   1HE   LYS  54          1HE       LYS  54   2.263 -13.255 -11.320
  449   2HE   LYS  54          2HE       LYS  54   2.795 -14.841 -10.761
  450   1HZ   LYS  54          1HZ       LYS  54   1.111 -15.512 -12.726
  451   2HZ   LYS  54          2HZ       LYS  54   1.713 -14.050 -13.330
  452   3HZ   LYS  54          3HZ       LYS  54   2.777 -15.306 -12.942
  453    H    GLU  55           H        GLU  55  -2.078 -11.074  -6.922
  454    HA   GLU  55           HA       GLU  55  -3.791 -12.673  -5.271
  455   1HB   GLU  55          1HB       GLU  55  -3.114  -9.728  -5.203
  456   2HB   GLU  55          2HB       GLU  55  -4.076 -10.551  -3.981
  457   1HG   GLU  55          1HG       GLU  55  -2.116 -12.068  -3.601
  458   2HG   GLU  55          2HG       GLU  55  -1.180 -11.004  -4.649
  459    H    GLN  56           H        GLN  56  -5.961 -12.765  -5.232
  460    HA   GLN  56           HA       GLN  56  -7.504 -12.000  -7.406
  461   1HB   GLN  56          1HB       GLN  56  -8.105 -13.735  -5.708
  462   2HB   GLN  56          2HB       GLN  56  -8.515 -12.440  -4.592
  463   1HG   GLN  56          1HG       GLN  56  -9.835 -12.955  -7.249
  464   2HG   GLN  56          2HG       GLN  56 -10.493 -13.370  -5.667
  465   1HE2  GLN  56          2HE2      GLN  56  -9.954 -10.884  -7.977
  466   2HE2  GLN  56          1HE2      GLN  56 -10.794  -9.622  -7.148
  467    H    TRP  57           H        TRP  57  -7.637 -10.552  -4.148
  468    HA   TRP  57           HA       TRP  57  -9.301  -8.435  -4.719
  469   1HB   TRP  57          1HB       TRP  57  -8.613  -7.471  -2.693
  470   2HB   TRP  57          2HB       TRP  57  -8.348  -9.196  -2.462
  471    HD1  TRP  57           HD1      TRP  57  -5.680 -10.001  -2.894
  472    HE1  TRP  57           HE1      TRP  57  -3.530  -8.776  -2.183
  473    HE3  TRP  57           HE3      TRP  57  -7.596  -5.300  -2.256
  474    HZ2  TRP  57           HZ2      TRP  57  -2.748  -6.160  -1.447
  475    HZ3  TRP  57           HZ3      TRP  57  -6.084  -3.489  -1.546
  476    HH2  TRP  57           HH2      TRP  57  -3.707  -3.915  -1.150
  477    H    VAL  58           H        VAL  58  -6.083  -8.891  -5.807
  478    HA   VAL  58           HA       VAL  58  -5.605  -6.066  -6.281
  479    HB   VAL  58           HB       VAL  58  -3.985  -8.523  -6.949
  480   1HG1  VAL  58          1HG1      VAL  58  -3.668  -5.691  -7.783
  481   2HG1  VAL  58          2HG1      VAL  58  -2.217  -6.588  -7.333
  482   3HG1  VAL  58          3HG1      VAL  58  -3.251  -7.177  -8.635
  483   1HG2  VAL  58          1HG2      VAL  58  -4.199  -7.665  -4.548
  484   2HG2  VAL  58          2HG2      VAL  58  -2.573  -7.911  -5.183
  485   3HG2  VAL  58          3HG2      VAL  58  -3.247  -6.283  -5.091
  486    H    LYS  59           H        LYS  59  -6.161  -9.003  -8.203
  487    HA   LYS  59           HA       LYS  59  -5.970  -7.860 -10.739
  488   1HB   LYS  59          1HB       LYS  59  -7.859 -10.072  -9.910
  489   2HB   LYS  59          2HB       LYS  59  -7.261  -9.757 -11.531
  490   1HG   LYS  59          1HG       LYS  59  -5.167 -10.594 -11.072
  491   2HG   LYS  59          2HG       LYS  59  -5.331 -10.333  -9.333
  492   1HD   LYS  59          1HD       LYS  59  -6.911 -12.146  -9.168
  493   2HD   LYS  59          2HD       LYS  59  -6.903 -12.360 -10.916
  494   1HE   LYS  59          1HE       LYS  59  -4.312 -12.521  -9.467
  495   2HE   LYS  59          2HE       LYS  59  -5.433 -13.875  -9.320
  496   1HZ   LYS  59          1HZ       LYS  59  -5.394 -13.309 -11.992
  497   2HZ   LYS  59          2HZ       LYS  59  -3.780 -13.122 -11.524
  498   3HZ   LYS  59          3HZ       LYS  59  -4.583 -14.583 -11.231
  499    H    ASP  60           H        ASP  60  -8.855  -8.363  -8.717
  500    HA   ASP  60           HA       ASP  60 -10.600  -6.967 -10.472
  501   1HB   ASP  60          1HB       ASP  60 -10.836  -7.820  -7.588
  502   2HB   ASP  60          2HB       ASP  60 -12.117  -6.937  -8.414
  503    H    ALA  61           H        ALA  61  -8.975  -6.074  -7.427
  504    HA   ALA  61           HA       ALA  61  -9.970  -3.577  -6.999
  505   1HB   ALA  61          1HB       ALA  61  -7.226  -4.705  -6.616
  506   2HB   ALA  61          2HB       ALA  61  -7.549  -3.009  -6.250
  507   3HB   ALA  61          3HB       ALA  61  -8.439  -4.277  -5.409
  508    H    MET  62           H        MET  62  -7.513  -4.525  -9.347
  509    HA   MET  62           HA       MET  62  -6.954  -1.893 -10.262
  510   1HB   MET  62          1HB       MET  62  -6.418  -4.645 -11.341
  511   2HB   MET  62          2HB       MET  62  -6.069  -3.222 -12.311
  512   1HG   MET  62          1HG       MET  62  -4.753  -2.429 -10.230
  513   2HG   MET  62          2HG       MET  62  -4.803  -4.129  -9.766
  514   1HE   MET  62          1HE       MET  62  -4.395  -5.924 -11.308
  515   2HE   MET  62          2HE       MET  62  -4.014  -5.667 -13.010
  516   3HE   MET  62          3HE       MET  62  -2.726  -6.043 -11.864
  517    H    GLN  63           H        GLN  63  -8.815  -4.563 -11.721
  518    HA   GLN  63           HA       GLN  63  -9.795  -3.314 -13.946
  519   1HB   GLN  63          1HB       GLN  63 -10.266  -5.701 -12.818
  520   2HB   GLN  63          2HB       GLN  63 -11.764  -4.894 -12.371
  521   1HG   GLN  63          1HG       GLN  63 -12.391  -4.575 -14.604
  522   2HG   GLN  63          2HG       GLN  63 -10.766  -4.917 -15.197
  523   1HE2  GLN  63          2HE2      GLN  63 -13.044  -6.159 -16.194
  524   2HE2  GLN  63          1HE2      GLN  63 -12.983  -7.838 -15.792
  525    H    HIS  64           H        HIS  64 -10.574  -2.721 -10.630
  526    HA   HIS  64           HA       HIS  64 -12.982  -1.253 -11.119
  527   1HB   HIS  64          1HB       HIS  64 -12.560  -2.369  -8.961
  528   2HB   HIS  64          2HB       HIS  64 -11.192  -1.296  -8.680
  529    HD1  HIS  64           HD1      HIS  64 -14.779  -0.545  -9.725
  530    HD2  HIS  64           HD2      HIS  64 -12.002   0.464  -6.803
  531    HE1  HIS  64           HE1      HIS  64 -15.906   1.190  -8.297
  532    HE2  HIS  64           HE2      HIS  64 -14.179   1.844  -6.583
  533    H    LEU  65           H        LEU  65  -9.702  -0.327 -10.110
  534    HA   LEU  65           HA       LEU  65 -10.085   2.443 -10.260
  535   1HB   LEU  65          1HB       LEU  65  -7.524   0.910 -10.711
  536   2HB   LEU  65          2HB       LEU  65  -7.656   2.603 -10.281
  537    HG   LEU  65           HG       LEU  65  -7.975   0.191  -8.578
  538   1HD1  LEU  65          1HD1      LEU  65  -6.081   2.097  -8.775
  539   2HD1  LEU  65          2HD1      LEU  65  -7.101   2.792  -7.516
  540   3HD1  LEU  65          3HD1      LEU  65  -6.410   1.184  -7.302
  541   1HD2  LEU  65          1HD2      LEU  65  -9.688   2.619  -8.424
  542   2HD2  LEU  65          2HD2      LEU  65 -10.064   0.940  -8.032
  543   3HD2  LEU  65          3HD2      LEU  65  -9.094   1.910  -6.922
  544    H    ASP  66           H        ASP  66  -9.379   0.067 -12.711
  545    HA   ASP  66           HA       ASP  66  -8.514   1.875 -14.726
  546   1HB   ASP  66          1HB       ASP  66  -9.724  -0.885 -14.995
  547   2HB   ASP  66          2HB       ASP  66  -8.894  -0.005 -16.275
  548    H    ARG  67           H        ARG  67 -11.645   0.419 -13.938
  549    HA   ARG  67           HA       ARG  67 -12.966   1.863 -16.077
  550   1HB   ARG  67          1HB       ARG  67 -13.492  -0.525 -14.968
  551   2HB   ARG  67          2HB       ARG  67 -14.549   0.475 -13.985
  552   1HG   ARG  67          1HG       ARG  67 -16.013   0.761 -15.645
  553   2HG   ARG  67          2HG       ARG  67 -14.745   1.031 -16.843
  554   1HD   ARG  67          1HD       ARG  67 -15.631  -0.942 -17.606
  555   2HD   ARG  67          2HD       ARG  67 -14.355  -1.546 -16.548
  556    HE   ARG  67           HE       ARG  67 -16.808  -1.254 -15.143
  557   1HH1  ARG  67          1HH1      ARG  67 -15.136  -3.304 -17.408
  558   2HH1  ARG  67          2HH1      ARG  67 -16.007  -4.732 -16.958
  559   1HH2  ARG  67          1HH2      ARG  67 -17.961  -3.127 -14.544
  560   2HH2  ARG  67          2HH2      ARG  67 -17.614  -4.630 -15.329
  561    H    GLN  68           H        GLN  68 -11.690   3.074 -13.521
  562    HA   GLN  68           HA       GLN  68 -14.002   4.450 -12.395
  563   1HB   GLN  68          1HB       GLN  68 -11.704   3.557 -11.244
  564   2HB   GLN  68          2HB       GLN  68 -11.301   5.246 -11.522
  565   1HG   GLN  68          1HG       GLN  68 -12.871   6.010 -10.052
  566   2HG   GLN  68          2HG       GLN  68 -13.911   4.602 -10.259
  567   1HE2  GLN  68          2HE2      GLN  68 -12.411   2.507  -9.691
  568   2HE2  GLN  68          1HE2      GLN  68 -11.783   2.583  -8.085
  569    H    ALA  69           H        ALA  69 -10.821   5.424 -13.692
  570    HA   ALA  69           HA       ALA  69 -11.276   8.125 -13.943
  571   1HB   ALA  69          1HB       ALA  69  -9.124   6.859 -14.355
  572   2HB   ALA  69          2HB       ALA  69  -9.728   6.545 -15.982
  573   3HB   ALA  69          3HB       ALA  69  -9.455   8.204 -15.446
  574    H    ALA  70           H        ALA  70 -12.302   5.524 -16.069
  575    HA   ALA  70           HA       ALA  70 -13.001   6.780 -18.373
  576   1HB   ALA  70          1HB       ALA  70 -13.521   4.333 -17.297
  577   2HB   ALA  70          2HB       ALA  70 -15.136   5.034 -17.384
  578   3HB   ALA  70          3HB       ALA  70 -14.149   4.909 -18.840
  579    H    ALA  71           H        ALA  71 -14.812   6.834 -15.333
  580    HA   ALA  71           HA       ALA  71 -17.073   8.192 -16.255
  581   1HB   ALA  71          1HB       ALA  71 -15.935   7.468 -13.684
  582   2HB   ALA  71          2HB       ALA  71 -16.797   9.007 -13.637
  583   3HB   ALA  71          3HB       ALA  71 -17.622   7.550 -14.191
  584    H    LEU  72           H        LEU  72 -13.898   9.265 -15.943
  585    HA   LEU  72           HA       LEU  72 -14.722  12.077 -15.742
  586   1HB   LEU  72          1HB       LEU  72 -12.061  10.726 -15.335
  587   2HB   LEU  72          2HB       LEU  72 -12.233  12.467 -15.437
  588    HG   LEU  72           HG       LEU  72 -12.100  11.645 -13.110
  589   1HD1  LEU  72          1HD1      LEU  72 -14.607  13.004 -14.048
  590   2HD1  LEU  72          2HD1      LEU  72 -14.251  12.769 -12.335
  591   3HD1  LEU  72          3HD1      LEU  72 -13.160  13.723 -13.341
  592   1HD2  LEU  72          1HD2      LEU  72 -13.305   9.491 -13.616
  593   2HD2  LEU  72          2HD2      LEU  72 -13.799  10.316 -12.136
  594   3HD2  LEU  72          3HD2      LEU  72 -14.806  10.418 -13.581
  595    H    THR  73           H        THR  73 -14.473   9.974 -18.102
  596    HA   THR  73           HA       THR  73 -14.281  10.210 -20.364
  597    HB   THR  73           HB       THR  73 -14.291  12.312 -21.335
  598    HG1  THR  73           HG1      THR  73 -12.608  13.089 -19.208
  599   1HG2  THR  73          1HG2      THR  73 -15.919  12.087 -19.254
  600   2HG2  THR  73          2HG2      THR  73 -14.951  13.449 -18.690
  601   3HG2  THR  73          3HG2      THR  73 -15.814  13.555 -20.225
  602    H    ARG  74           H        ARG  74 -12.109   9.385 -18.575
  603    HA   ARG  74           HA       ARG  74  -9.830   9.081 -18.528
  604   1HB   ARG  74          1HB       ARG  74 -10.504   7.484 -20.202
  605   2HB   ARG  74          2HB       ARG  74 -10.515   8.724 -21.447
  606   1HG   ARG  74          1HG       ARG  74  -8.550   7.275 -21.597
  607   2HG   ARG  74          2HG       ARG  74  -8.112   8.956 -21.285
  608   1HD   ARG  74          1HD       ARG  74  -6.889   8.204 -19.584
  609   2HD   ARG  74          2HD       ARG  74  -8.408   7.857 -18.760
  610    HE   ARG  74           HE       ARG  74  -7.866   5.660 -18.940
  611   1HH1  ARG  74          1HH1      ARG  74  -6.407   7.360 -21.605
  612   2HH1  ARG  74          2HH1      ARG  74  -5.664   5.946 -22.270
  613   1HH2  ARG  74          1HH2      ARG  74  -6.892   3.788 -19.806
  614   2HH2  ARG  74          2HH2      ARG  74  -5.940   3.914 -21.247
  615    H    ASN  75           H        ASN  75  -9.569  10.305 -21.788
  616    HA   ASN  75           HA       ASN  75  -8.344  12.779 -20.791
  617   1HB   ASN  75          1HB       ASN  75  -7.019  10.583 -22.220
  618   2HB   ASN  75          2HB       ASN  75  -6.759  12.164 -22.949
  619   1HD2  ASN  75          2HD2      ASN  75  -6.638  13.831 -20.850
  620   2HD2  ASN  75          1HD2      ASN  75  -5.307  13.428 -19.825
  621    H    GLY  76           H        GLY  76 -10.829  11.765 -22.363
  622   1HA   GLY  76          1HA       GLY  76 -10.658  13.876 -24.411
  623   2HA   GLY  76          2HA       GLY  76 -11.285  12.291 -24.832
  Start of MODEL    6
    1   2H    MET   0          2H        MET   0  20.846   4.007   6.185
    2   3H    MET   0          3H        MET   0  20.327   4.624   4.672
    3   1H    MET   0          1H        MET   0  19.648   3.170   5.283
    4    HA   MET   0           HA       MET   0  21.605   3.288   3.517
    5   1HB   MET   0          1HB       MET   0  22.987   4.354   5.361
    6   2HB   MET   0          2HB       MET   0  22.922   2.806   6.192
    7   1HG   MET   0          1HG       MET   0  24.620   2.052   5.000
    8   2HG   MET   0          2HG       MET   0  23.757   2.381   3.498
    9   1HE   MET   0          1HE       MET   0  25.150   4.304   6.426
   10   2HE   MET   0          2HE       MET   0  26.252   5.497   5.740
   11   3HE   MET   0          3HE       MET   0  24.508   5.746   5.638
   12    H    GLN   1           H        GLN   1  20.530   1.680   6.465
   13    HA   GLN   1           HA       GLN   1  19.910  -0.465   6.896
   14   1HB   GLN   1          1HB       GLN   1  19.196   0.004   4.193
   15   2HB   GLN   1          2HB       GLN   1  19.876  -1.615   4.274
   16   1HG   GLN   1          1HG       GLN   1  17.459  -1.632   4.569
   17   2HG   GLN   1          2HG       GLN   1  18.294  -2.224   6.004
   18   1HE2  GLN   1          2HE2      GLN   1  16.472   0.410   4.627
   19   2HE2  GLN   1          1HE2      GLN   1  16.070   1.176   6.121
   20    H    HIS   2           H        HIS   2  21.171  -2.013   7.685
   21    HA   HIS   2           HA       HIS   2  23.849  -2.282   7.286
   22   1HB   HIS   2          1HB       HIS   2  23.655  -4.561   8.228
   23   2HB   HIS   2          2HB       HIS   2  22.696  -3.386   9.122
   24    HD1  HIS   2           HD1      HIS   2  20.099  -3.553   8.887
   25    HD2  HIS   2           HD2      HIS   2  22.214  -6.595   7.006
   26    HE1  HIS   2           HE1      HIS   2  18.400  -5.332   8.367
   27    HE2  HIS   2           HE2      HIS   2  19.716  -7.195   7.297
   28    H    HIS   3           H        HIS   3  21.300  -4.087   5.599
   29    HA   HIS   3           HA       HIS   3  23.219  -5.418   3.895
   30   1HB   HIS   3          1HB       HIS   3  21.078  -6.480   4.688
   31   2HB   HIS   3          2HB       HIS   3  20.208  -5.375   3.629
   32    HD1  HIS   3           HD1      HIS   3  23.061  -7.874   3.228
   33    HD2  HIS   3           HD2      HIS   3  19.672  -6.515   1.247
   34    HE1  HIS   3           HE1      HIS   3  22.911  -9.253   1.131
   35    HE2  HIS   3           HE2      HIS   3  20.894  -8.362  -0.088
   36    H    GLY   4           H        GLY   4  24.221  -4.127   2.463
   37   1HA   GLY   4          1HA       GLY   4  24.534  -2.665   0.721
   38   2HA   GLY   4          2HA       GLY   4  22.964  -3.220   0.161
   39    H    VAL   5           H        VAL   5  23.406  -0.768  -0.531
   40    HA   VAL   5           HA       VAL   5  21.935   0.871   1.426
   41    HB   VAL   5           HB       VAL   5  24.310   1.579   1.247
   42   1HG1  VAL   5          1HG1      VAL   5  24.249   0.966  -1.314
   43   2HG1  VAL   5          2HG1      VAL   5  23.792   2.661  -1.476
   44   3HG1  VAL   5          3HG1      VAL   5  25.315   2.230  -0.703
   45   1HG2  VAL   5          1HG2      VAL   5  22.265   3.123   1.636
   46   2HG2  VAL   5          2HG2      VAL   5  23.837   3.847   1.297
   47   3HG2  VAL   5          3HG2      VAL   5  22.627   3.727   0.019
   48    H    THR   6           H        THR   6  19.928   0.925   0.598
   49    HA   THR   6           HA       THR   6  19.610   1.464  -2.275
   50    HB   THR   6           HB       THR   6  17.098   0.885  -1.403
   51    HG1  THR   6           HG1      THR   6  17.377   0.161   0.564
   52   1HG2  THR   6          1HG2      THR   6  19.251  -0.917  -2.427
   53   2HG2  THR   6          2HG2      THR   6  17.643  -1.533  -2.047
   54   3HG2  THR   6          3HG2      THR   6  17.839  -0.275  -3.267
   55    H    LYS   7           H        LYS   7  17.090   2.496  -2.351
   56    HA   LYS   7           HA       LYS   7  16.414   4.486  -0.555
   57   1HB   LYS   7          1HB       LYS   7  17.248   6.515  -1.768
   58   2HB   LYS   7          2HB       LYS   7  18.504   5.574  -0.975
   59   1HG   LYS   7          1HG       LYS   7  19.577   5.255  -2.888
   60   2HG   LYS   7          2HG       LYS   7  18.111   4.693  -3.692
   61   1HD   LYS   7          1HD       LYS   7  17.670   7.389  -3.479
   62   2HD   LYS   7          2HD       LYS   7  19.410   7.311  -3.764
   63   1HE   LYS   7          1HE       LYS   7  18.756   5.651  -5.655
   64   2HE   LYS   7          2HE       LYS   7  17.159   6.382  -5.503
   65   1HZ   LYS   7          1HZ       LYS   7  19.576   8.046  -5.849
   66   2HZ   LYS   7          2HZ       LYS   7  18.778   7.378  -7.183
   67   3HZ   LYS   7          3HZ       LYS   7  17.962   8.449  -6.159
   68    H    CYS   8           H        CYS   8  14.924   2.775  -1.992
   69    HA   CYS   8           HA       CYS   8  13.782   4.298  -4.221
   70   1HB   CYS   8          1HB       CYS   8  13.924   1.439  -3.516
   71   2HB   CYS   8          2HB       CYS   8  12.383   1.962  -4.186
   72    H    ASN   9           H        ASN   9  12.162   5.618  -3.753
   73    HA   ASN   9           HA       ASN   9  10.834   6.045  -1.470
   74   1HB   ASN   9          1HB       ASN   9   8.742   6.447  -3.107
   75   2HB   ASN   9          2HB       ASN   9  10.122   7.542  -3.037
   76   1HD2  ASN   9          2HD2      ASN   9   8.502   5.080  -4.863
   77   2HD2  ASN   9          1HD2      ASN   9   9.383   5.304  -6.333
   78    H    ILE  10           H        ILE  10  10.020   3.516  -3.800
   79    HA   ILE  10           HA       ILE  10   8.426   2.211  -1.705
   80    HB   ILE  10           HB       ILE  10   6.911   3.315  -3.330
   81   1HG1  ILE  10          1HG1      ILE  10   6.579   0.383  -3.766
   82   2HG1  ILE  10          2HG1      ILE  10   6.610   0.974  -2.106
   83   1HG2  ILE  10          1HG2      ILE  10   8.675   2.576  -5.230
   84   2HG2  ILE  10          2HG2      ILE  10   7.467   1.302  -5.406
   85   3HG2  ILE  10          3HG2      ILE  10   6.994   2.994  -5.561
   86   1HD1  ILE  10          1HD1      ILE  10   4.764   2.477  -2.609
   87   2HD1  ILE  10          2HD1      ILE  10   4.726   1.877  -4.267
   88   3HD1  ILE  10          3HD1      ILE  10   4.342   0.795  -2.929
   89    H    THR  11           H        THR  11   9.950   0.669  -1.250
   90    HA   THR  11           HA       THR  11  10.864  -1.026  -3.471
   91    HB   THR  11           HB       THR  11  11.993  -0.357  -0.783
   92    HG1  THR  11           HG1      THR  11  13.342  -0.807  -3.215
   93   1HG2  THR  11          1HG2      THR  11  12.090  -3.013  -1.959
   94   2HG2  THR  11          2HG2      THR  11  13.684  -2.307  -1.695
   95   3HG2  THR  11          3HG2      THR  11  12.555  -2.465  -0.349
   96    H    CYS  12           H        CYS  12   9.396  -2.587  -3.788
   97    HA   CYS  12           HA       CYS  12   7.779  -3.704  -1.745
   98   1HB   CYS  12          1HB       CYS  12   8.365  -4.995  -4.405
   99   2HB   CYS  12          2HB       CYS  12   6.913  -5.148  -3.421
  100    H    SER  13           H        SER  13   9.330  -4.330  -0.147
  101    HA   SER  13           HA       SER  13  11.269  -6.366  -0.710
  102   1HB   SER  13          1HB       SER  13  10.214  -5.359   1.945
  103   2HB   SER  13          2HB       SER  13  11.630  -6.388   1.729
  104    HG   SER  13           HG       SER  13  12.143  -4.142   1.929
  105    H    LYS  14           H        LYS  14   7.937  -6.310   0.020
  106    HA   LYS  14           HA       LYS  14   7.742  -9.160  -0.178
  107   1HB   LYS  14          1HB       LYS  14   7.747  -7.885   2.451
  108   2HB   LYS  14          2HB       LYS  14   6.300  -8.837   2.160
  109   1HG   LYS  14          1HG       LYS  14   8.851 -10.124   1.445
  110   2HG   LYS  14          2HG       LYS  14   8.573  -9.844   3.165
  111   1HD   LYS  14          1HD       LYS  14   6.285 -10.955   1.685
  112   2HD   LYS  14          2HD       LYS  14   7.688 -12.017   1.809
  113   1HE   LYS  14          1HE       LYS  14   7.124 -12.522   3.894
  114   2HE   LYS  14          2HE       LYS  14   7.271 -10.824   4.347
  115   1HZ   LYS  14          1HZ       LYS  14   4.818 -11.694   3.001
  116   2HZ   LYS  14          2HZ       LYS  14   5.025 -12.112   4.627
  117   3HZ   LYS  14          3HZ       LYS  14   5.040 -10.486   4.164
  118    H    MET  15           H        MET  15   5.277  -9.732   0.480
  119    HA   MET  15           HA       MET  15   3.681  -7.867  -1.114
  120   1HB   MET  15          1HB       MET  15   3.415 -10.772  -0.419
  121   2HB   MET  15          2HB       MET  15   2.010  -9.863  -0.964
  122   1HG   MET  15          1HG       MET  15   3.182 -11.107  -2.759
  123   2HG   MET  15          2HG       MET  15   3.042  -9.375  -3.053
  124   1HE   MET  15          1HE       MET  15   5.046  -7.662  -2.515
  125   2HE   MET  15          2HE       MET  15   6.517  -8.108  -3.380
  126   3HE   MET  15          3HE       MET  15   4.952  -8.225  -4.183
  127    H    THR  16           H        THR  16   1.583  -7.213  -0.446
  128    HA   THR  16           HA       THR  16   1.395  -6.864   2.441
  129    HB   THR  16           HB       THR  16   1.112  -5.003   0.659
  130    HG1  THR  16           HG1      THR  16  -0.059  -3.903   2.108
  131   1HG2  THR  16          1HG2      THR  16  -1.007  -6.625  -0.155
  132   2HG2  THR  16          2HG2      THR  16  -1.741  -5.250   0.668
  133   3HG2  THR  16          3HG2      THR  16  -0.640  -4.983  -0.682
  134    H    SER  17           H        SER  17  -1.264  -6.551   2.864
  135    HA   SER  17           HA       SER  17  -2.273  -9.284   2.480
  136   1HB   SER  17          1HB       SER  17  -3.826  -8.626   4.409
  137   2HB   SER  17          2HB       SER  17  -2.117  -8.820   4.799
  138    HG   SER  17           HG       SER  17  -2.778  -6.913   5.708
  139    H    LYS  18           H        LYS  18  -4.796  -9.326   2.590
  140    HA   LYS  18           HA       LYS  18  -5.725  -7.956   0.273
  141   1HB   LYS  18          1HB       LYS  18  -6.586 -10.141   0.698
  142   2HB   LYS  18          2HB       LYS  18  -7.112  -9.690   2.313
  143   1HG   LYS  18          1HG       LYS  18  -9.092  -9.072   1.548
  144   2HG   LYS  18          2HG       LYS  18  -8.343  -7.965   0.391
  145   1HD   LYS  18          1HD       LYS  18  -9.581  -9.449  -0.933
  146   2HD   LYS  18          2HD       LYS  18  -7.922 -10.039  -1.046
  147   1HE   LYS  18          1HE       LYS  18  -8.513 -11.603   0.868
  148   2HE   LYS  18          2HE       LYS  18 -10.193 -11.160   0.572
  149   1HZ   LYS  18          1HZ       LYS  18  -9.104 -11.818  -1.887
  150   2HZ   LYS  18          2HZ       LYS  18  -8.584 -13.018  -0.815
  151   3HZ   LYS  18          3HZ       LYS  18 -10.236 -12.703  -0.995
  152    H    ILE  19           H        ILE  19  -6.534  -5.981   0.138
  153    HA   ILE  19           HA       ILE  19  -7.738  -4.784   2.549
  154    HB   ILE  19           HB       ILE  19  -6.333  -3.232   0.379
  155   1HG1  ILE  19          1HG1      ILE  19  -5.196  -3.848   3.104
  156   2HG1  ILE  19          2HG1      ILE  19  -4.855  -4.856   1.700
  157   1HG2  ILE  19          1HG2      ILE  19  -8.055  -2.087   1.781
  158   2HG2  ILE  19          2HG2      ILE  19  -7.047  -2.421   3.191
  159   3HG2  ILE  19          3HG2      ILE  19  -6.437  -1.391   1.895
  160   1HD1  ILE  19          1HD1      ILE  19  -4.216  -2.477   0.678
  161   2HD1  ILE  19          2HD1      ILE  19  -3.883  -2.160   2.380
  162   3HD1  ILE  19          3HD1      ILE  19  -3.071  -3.490   1.556
  163    HA   PRO  20           HA       PRO  20 -11.508  -4.427   0.281
  164   1HB   PRO  20          1HB       PRO  20 -11.840  -1.902   1.802
  165   2HB   PRO  20          2HB       PRO  20 -12.915  -3.294   1.692
  166   1HG   PRO  20          1HG       PRO  20 -11.470  -2.829   3.884
  167   2HG   PRO  20          2HG       PRO  20 -11.756  -4.471   3.291
  168   1HD   PRO  20          1HD       PRO  20  -9.300  -2.790   3.098
  169   2HD   PRO  20          2HD       PRO  20  -9.451  -4.543   3.342
  170    H    VAL  21           H        VAL  21 -11.822  -3.676  -1.710
  171    HA   VAL  21           HA       VAL  21 -10.205  -1.676  -2.872
  172    HB   VAL  21           HB       VAL  21 -11.318  -3.533  -4.130
  173   1HG1  VAL  21          1HG1      VAL  21 -13.761  -1.810  -3.745
  174   2HG1  VAL  21          2HG1      VAL  21 -13.647  -3.153  -4.882
  175   3HG1  VAL  21          3HG1      VAL  21 -13.517  -3.451  -3.149
  176   1HG2  VAL  21          1HG2      VAL  21 -10.329  -1.628  -5.288
  177   2HG2  VAL  21          2HG2      VAL  21 -11.768  -2.202  -6.132
  178   3HG2  VAL  21          3HG2      VAL  21 -11.849  -0.743  -5.145
  179    H    ALA  22           H        ALA  22 -13.188  -1.563  -1.144
  180    HA   ALA  22           HA       ALA  22 -14.271   0.826  -2.148
  181   1HB   ALA  22          1HB       ALA  22 -14.573  -0.700   0.400
  182   2HB   ALA  22          2HB       ALA  22 -15.275   0.912   0.264
  183   3HB   ALA  22          3HB       ALA  22 -15.765  -0.360  -0.856
  184    H    LEU  23           H        LEU  23 -11.437   0.295  -0.398
  185    HA   LEU  23           HA       LEU  23 -11.407   3.042   0.647
  186   1HB   LEU  23          1HB       LEU  23  -9.347   0.942   1.249
  187   2HB   LEU  23          2HB       LEU  23  -9.739   2.383   2.168
  188    HG   LEU  23           HG       LEU  23 -11.625   0.049   1.876
  189   1HD1  LEU  23          1HD1      LEU  23  -9.485   0.602   3.902
  190   2HD1  LEU  23          2HD1      LEU  23 -10.909  -0.358   4.300
  191   3HD1  LEU  23          3HD1      LEU  23  -9.818  -0.889   3.020
  192   1HD2  LEU  23          1HD2      LEU  23 -11.718   2.675   3.173
  193   2HD2  LEU  23          2HD2      LEU  23 -13.029   1.612   2.661
  194   3HD2  LEU  23          3HD2      LEU  23 -12.215   1.329   4.200
  195    H    LEU  24           H        LEU  24 -10.059   0.973  -1.743
  196    HA   LEU  24           HA       LEU  24  -7.667   2.459  -2.220
  197   1HB   LEU  24          1HB       LEU  24  -9.166   0.473  -3.926
  198   2HB   LEU  24          2HB       LEU  24  -7.609   1.157  -4.355
  199    HG   LEU  24           HG       LEU  24  -7.947  -0.298  -1.756
  200   1HD1  LEU  24          1HD1      LEU  24  -8.267  -1.442  -4.371
  201   2HD1  LEU  24          2HD1      LEU  24  -6.821  -2.082  -3.591
  202   3HD1  LEU  24          3HD1      LEU  24  -8.386  -2.212  -2.788
  203   1HD2  LEU  24          1HD2      LEU  24  -5.855   1.058  -2.950
  204   2HD2  LEU  24          2HD2      LEU  24  -5.734  -0.088  -1.616
  205   3HD2  LEU  24          3HD2      LEU  24  -5.499  -0.639  -3.275
  206    H    ILE  25           H        ILE  25  -7.241   4.004  -3.766
  207    HA   ILE  25           HA       ILE  25  -9.586   5.102  -5.177
  208    HB   ILE  25           HB       ILE  25  -8.615   7.343  -4.935
  209   1HG1  ILE  25          1HG1      ILE  25  -6.604   6.018  -3.101
  210   2HG1  ILE  25          2HG1      ILE  25  -6.248   6.607  -4.723
  211   1HG2  ILE  25          1HG2      ILE  25  -9.560   5.691  -2.721
  212   2HG2  ILE  25          2HG2      ILE  25  -8.681   7.132  -2.207
  213   3HG2  ILE  25          3HG2      ILE  25 -10.091   7.285  -3.255
  214   1HD1  ILE  25          1HD1      ILE  25  -7.361   8.427  -2.628
  215   2HD1  ILE  25          2HD1      ILE  25  -5.634   8.084  -2.730
  216   3HD1  ILE  25          3HD1      ILE  25  -6.469   8.832  -4.093
  217    H    HIS  26           H        HIS  26  -6.224   4.224  -5.311
  218    HA   HIS  26           HA       HIS  26  -6.277   4.255  -8.180
  219   1HB   HIS  26          1HB       HIS  26  -5.386   6.593  -6.896
  220   2HB   HIS  26          2HB       HIS  26  -3.932   5.770  -7.454
  221    HD1  HIS  26           HD1      HIS  26  -4.009   5.099 -10.108
  222    HD2  HIS  26           HD2      HIS  26  -6.627   8.054  -8.812
  223    HE1  HIS  26           HE1      HIS  26  -4.724   6.322 -12.186
  224    HE2  HIS  26           HE2      HIS  26  -6.368   8.055 -11.386
  225    H    TYR  27           H        TYR  27  -4.624   3.040  -9.105
  226    HA   TYR  27           HA       TYR  27  -2.865   1.648  -7.192
  227   1HB   TYR  27          1HB       TYR  27  -3.095  -0.371  -8.458
  228   2HB   TYR  27          2HB       TYR  27  -4.717   0.244  -8.158
  229    HD1  TYR  27           HD1      TYR  27  -6.036   1.226  -9.988
  230    HD2  TYR  27           HD2      TYR  27  -2.191  -0.476 -10.689
  231    HE1  TYR  27           HE1      TYR  27  -6.513   1.158 -12.404
  232    HE2  TYR  27           HE2      TYR  27  -2.657  -0.548 -13.107
  233    HH   TYR  27           HH       TYR  27  -4.411   0.976 -14.691
  234    H    GLN  28           H        GLN  28  -0.760   1.883  -7.542
  235    HA   GLN  28           HA       GLN  28   0.110   2.957 -10.133
  236   1HB   GLN  28          1HB       GLN  28   2.133   2.914  -8.043
  237   2HB   GLN  28          2HB       GLN  28   1.556   4.259  -9.018
  238   1HG   GLN  28          1HG       GLN  28  -0.531   4.014  -7.378
  239   2HG   GLN  28          2HG       GLN  28   0.729   3.370  -6.325
  240   1HE2  GLN  28          2HE2      GLN  28  -0.781   5.785  -5.981
  241   2HE2  GLN  28          1HE2      GLN  28   0.349   7.091  -5.972
  242    H    GLN  29           H        GLN  29   2.650   2.343 -10.360
  243    HA   GLN  29           HA       GLN  29   2.769  -0.598 -10.217
  244   1HB   GLN  29          1HB       GLN  29   2.688   0.936 -12.512
  245   2HB   GLN  29          2HB       GLN  29   4.406   0.631 -12.304
  246   1HG   GLN  29          1HG       GLN  29   4.083  -1.318 -13.300
  247   2HG   GLN  29          2HG       GLN  29   3.213  -1.831 -11.854
  248   1HE2  GLN  29          2HE2      GLN  29   0.869  -1.041 -11.826
  249   2HE2  GLN  29          1HE2      GLN  29  -0.011  -1.248 -13.297
  250    H    ASN  30           H        ASN  30   4.852  -1.541  -9.946
  251    HA   ASN  30           HA       ASN  30   6.603   0.093  -8.309
  252   1HB   ASN  30          1HB       ASN  30   6.211  -2.029  -7.366
  253   2HB   ASN  30          2HB       ASN  30   6.437  -2.853  -8.907
  254   1HD2  ASN  30          2HD2      ASN  30   7.991  -1.401  -6.174
  255   2HD2  ASN  30          1HD2      ASN  30   9.582  -1.992  -6.504
  256    H    GLN  31           H        GLN  31   8.838   0.355  -8.676
  257    HA   GLN  31           HA       GLN  31   9.523   0.691 -11.441
  258   1HB   GLN  31          1HB       GLN  31  11.376   0.974  -9.079
  259   2HB   GLN  31          2HB       GLN  31  11.520   1.733 -10.660
  260   1HG   GLN  31          1HG       GLN  31   9.704   2.409  -8.394
  261   2HG   GLN  31          2HG       GLN  31  10.761   3.458  -9.337
  262   1HE2  GLN  31          2HE2      GLN  31   9.748   4.764 -10.665
  263   2HE2  GLN  31          1HE2      GLN  31   8.218   4.478 -11.419
  264    H    ALA  32           H        ALA  32  11.212  -0.313 -12.576
  265    HA   ALA  32           HA       ALA  32  11.504  -3.094 -12.070
  266   1HB   ALA  32          1HB       ALA  32  11.765  -1.486 -14.274
  267   2HB   ALA  32          2HB       ALA  32  13.431  -1.956 -13.938
  268   3HB   ALA  32          3HB       ALA  32  12.199  -3.193 -14.191
  269    H    SER  33           H        SER  33  13.045  -0.456 -10.738
  270    HA   SER  33           HA       SER  33  15.303  -2.138  -9.891
  271   1HB   SER  33          1HB       SER  33  16.856  -0.350 -10.114
  272   2HB   SER  33          2HB       SER  33  15.946  -0.386 -11.623
  273    HG   SER  33           HG       SER  33  14.643   1.309 -10.754
  274    H    CYS  34           H        CYS  34  12.858  -1.762  -8.525
  275    HA   CYS  34           HA       CYS  34  13.847  -0.404  -6.119
  276   1HB   CYS  34          1HB       CYS  34  11.202  -0.003  -7.487
  277   2HB   CYS  34          2HB       CYS  34  11.360   0.248  -5.753
  278    H    GLY  35           H        GLY  35  14.078  -3.106  -6.504
  279   1HA   GLY  35          1HA       GLY  35  13.754  -4.812  -4.869
  280   2HA   GLY  35          2HA       GLY  35  12.188  -4.112  -4.494
  281    H    LYS  36           H        LYS  36  10.850  -5.808  -4.825
  282    HA   LYS  36           HA       LYS  36  11.136  -7.489  -7.162
  283   1HB   LYS  36          1HB       LYS  36   9.235  -7.466  -4.829
  284   2HB   LYS  36          2HB       LYS  36   8.982  -8.521  -6.210
  285   1HG   LYS  36          1HG       LYS  36  10.345 -10.000  -5.307
  286   2HG   LYS  36          2HG       LYS  36  11.668  -8.835  -5.399
  287   1HD   LYS  36          1HD       LYS  36  11.636  -8.503  -3.193
  288   2HD   LYS  36          2HD       LYS  36   9.887  -8.271  -3.185
  289   1HE   LYS  36          1HE       LYS  36   9.933 -10.907  -3.527
  290   2HE   LYS  36          2HE       LYS  36  11.484 -10.725  -2.708
  291   1HZ   LYS  36          1HZ       LYS  36   9.371  -9.256  -1.445
  292   2HZ   LYS  36          2HZ       LYS  36   9.064 -10.919  -1.496
  293   3HZ   LYS  36          3HZ       LYS  36  10.480 -10.341  -0.774
  294    H    ARG  37           H        ARG  37  10.106  -7.245  -9.037
  295    HA   ARG  37           HA       ARG  37   8.611  -4.942  -9.631
  296   1HB   ARG  37          1HB       ARG  37   7.979  -6.341 -11.730
  297   2HB   ARG  37          2HB       ARG  37   9.656  -5.875 -11.481
  298   1HG   ARG  37          1HG       ARG  37  10.328  -7.989 -11.352
  299   2HG   ARG  37          2HG       ARG  37   9.025  -8.422 -10.244
  300   1HD   ARG  37          1HD       ARG  37   7.533  -8.867 -12.002
  301   2HD   ARG  37          2HD       ARG  37   8.537  -8.023 -13.178
  302    HE   ARG  37           HE       ARG  37   8.744 -10.754 -12.409
  303   1HH1  ARG  37          1HH1      ARG  37  10.617  -7.995 -13.411
  304   2HH1  ARG  37          2HH1      ARG  37  11.895  -8.946 -14.089
  305   1HH2  ARG  37          1HH2      ARG  37  10.423 -12.017 -13.300
  306   2HH2  ARG  37          2HH2      ARG  37  11.786 -11.231 -14.025
  307    H    ALA  38           H        ALA  38   6.890  -4.767  -8.186
  308    HA   ALA  38           HA       ALA  38   4.688  -6.669  -8.656
  309   1HB   ALA  38          1HB       ALA  38   5.969  -6.039  -6.210
  310   2HB   ALA  38          2HB       ALA  38   4.339  -5.370  -6.150
  311   3HB   ALA  38          3HB       ALA  38   4.575  -7.087  -6.481
  312    H    ILE  39           H        ILE  39   2.751  -5.251  -7.196
  313    HA   ILE  39           HA       ILE  39   2.423  -2.866  -8.897
  314    HB   ILE  39           HB       ILE  39   0.368  -4.759  -7.765
  315   1HG1  ILE  39          1HG1      ILE  39   1.579  -5.253  -9.949
  316   2HG1  ILE  39          2HG1      ILE  39  -0.179  -5.224 -10.028
  317   1HG2  ILE  39          1HG2      ILE  39  -0.434  -2.485  -7.430
  318   2HG2  ILE  39          2HG2      ILE  39  -0.109  -2.107  -9.122
  319   3HG2  ILE  39          3HG2      ILE  39  -1.352  -3.287  -8.705
  320   1HD1  ILE  39          1HD1      ILE  39   1.609  -2.937 -10.817
  321   2HD1  ILE  39          2HD1      ILE  39   0.907  -4.107 -11.934
  322   3HD1  ILE  39          3HD1      ILE  39  -0.142  -3.031 -11.011
  323    H    ILE  40           H        ILE  40   1.354  -1.029  -7.989
  324    HA   ILE  40           HA       ILE  40   1.801  -0.788  -5.094
  325    HB   ILE  40           HB       ILE  40   1.450   1.468  -7.066
  326   1HG1  ILE  40          1HG1      ILE  40   3.422   0.408  -7.800
  327   2HG1  ILE  40          2HG1      ILE  40   3.988   1.686  -6.727
  328   1HG2  ILE  40          1HG2      ILE  40   1.001   1.927  -4.664
  329   2HG2  ILE  40          2HG2      ILE  40   2.662   1.457  -4.308
  330   3HG2  ILE  40          3HG2      ILE  40   2.342   2.859  -5.328
  331   1HD1  ILE  40          1HD1      ILE  40   4.162  -0.002  -4.915
  332   2HD1  ILE  40          2HD1      ILE  40   3.765  -1.245  -6.102
  333   3HD1  ILE  40          3HD1      ILE  40   5.239  -0.292  -6.282
  334    H    LEU  41           H        LEU  41   0.217  -0.020  -3.736
  335    HA   LEU  41           HA       LEU  41  -2.448   0.376  -4.925
  336   1HB   LEU  41          1HB       LEU  41  -1.675  -1.209  -2.486
  337   2HB   LEU  41          2HB       LEU  41  -3.318  -0.668  -2.772
  338    HG   LEU  41           HG       LEU  41  -1.719  -2.589  -4.459
  339   1HD1  LEU  41          1HD1      LEU  41  -3.959  -2.822  -2.515
  340   2HD1  LEU  41          2HD1      LEU  41  -3.917  -3.919  -3.896
  341   3HD1  LEU  41          3HD1      LEU  41  -2.564  -3.871  -2.766
  342   1HD2  LEU  41          1HD2      LEU  41  -3.863  -0.829  -5.214
  343   2HD2  LEU  41          2HD2      LEU  41  -2.942  -1.962  -6.202
  344   3HD2  LEU  41          3HD2      LEU  41  -4.377  -2.512  -5.335
  345    H    GLU  42           H        GLU  42  -3.143   2.364  -4.575
  346    HA   GLU  42           HA       GLU  42  -2.323   3.740  -2.102
  347   1HB   GLU  42          1HB       GLU  42  -1.460   4.912  -4.007
  348   2HB   GLU  42          2HB       GLU  42  -3.012   4.837  -4.829
  349   1HG   GLU  42          1HG       GLU  42  -3.940   6.248  -2.964
  350   2HG   GLU  42          2HG       GLU  42  -2.277   6.478  -2.424
  351    H    THR  43           H        THR  43  -3.866   4.133  -0.658
  352    HA   THR  43           HA       THR  43  -6.666   3.906  -1.523
  353    HB   THR  43           HB       THR  43  -7.221   3.316   0.723
  354    HG1  THR  43           HG1      THR  43  -6.091   4.018   2.325
  355   1HG2  THR  43          1HG2      THR  43  -4.866   1.935  -0.423
  356   2HG2  THR  43          2HG2      THR  43  -5.326   1.551   1.235
  357   3HG2  THR  43          3HG2      THR  43  -6.484   1.325  -0.075
  358    H    ARG  44           H        ARG  44  -8.243   5.272  -0.330
  359    HA   ARG  44           HA       ARG  44  -7.695   7.992  -0.694
  360   1HB   ARG  44          1HB       ARG  44  -9.840   8.349   0.558
  361   2HB   ARG  44          2HB       ARG  44  -9.958   7.234  -0.796
  362   1HG   ARG  44          1HG       ARG  44  -9.935   5.345   0.694
  363   2HG   ARG  44          2HG       ARG  44  -9.652   6.399   2.080
  364   1HD   ARG  44          1HD       ARG  44 -11.961   5.862   2.091
  365   2HD   ARG  44          2HD       ARG  44 -11.830   7.528   1.531
  366    HE   ARG  44           HE       ARG  44 -11.936   5.519  -0.550
  367   1HH1  ARG  44          1HH1      ARG  44 -13.711   7.755   1.440
  368   2HH1  ARG  44          2HH1      ARG  44 -15.064   7.843   0.363
  369   1HH2  ARG  44          1HH2      ARG  44 -13.711   5.626  -1.978
  370   2HH2  ARG  44          2HH2      ARG  44 -15.063   6.632  -1.582
  371    H    GLN  45           H        GLN  45  -6.825   5.940   1.845
  372    HA   GLN  45           HA       GLN  45  -6.548   8.167   3.736
  373   1HB   GLN  45          1HB       GLN  45  -6.373   5.178   4.161
  374   2HB   GLN  45          2HB       GLN  45  -6.116   6.381   5.415
  375   1HG   GLN  45          1HG       GLN  45  -8.285   6.513   5.806
  376   2HG   GLN  45          2HG       GLN  45  -8.612   6.880   4.114
  377   1HE2  GLN  45          2HE2      GLN  45  -9.383   4.845   6.512
  378   2HE2  GLN  45          1HE2      GLN  45  -9.811   3.438   5.604
  379    H    HIS  46           H        HIS  46  -4.824   7.795   1.416
  380    HA   HIS  46           HA       HIS  46  -2.622   7.808   0.838
  381   1HB   HIS  46          1HB       HIS  46  -1.992   8.409   3.719
  382   2HB   HIS  46          2HB       HIS  46  -1.169   8.983   2.272
  383    HD1  HIS  46           HD1      HIS  46  -3.831   9.941   0.817
  384    HD2  HIS  46           HD2      HIS  46  -2.644  10.919   4.677
  385    HE1  HIS  46           HE1      HIS  46  -5.013  12.093   1.359
  386    HE2  HIS  46           HE2      HIS  46  -4.220  12.705   3.670
  387    H    ARG  47           H        ARG  47  -3.483   5.284   1.184
  388    HA   ARG  47           HA       ARG  47  -1.441   3.944   2.819
  389   1HB   ARG  47          1HB       ARG  47  -3.950   3.429   3.060
  390   2HB   ARG  47          2HB       ARG  47  -3.796   2.597   1.519
  391   1HG   ARG  47          1HG       ARG  47  -1.888   1.300   2.633
  392   2HG   ARG  47          2HG       ARG  47  -2.545   1.919   4.150
  393   1HD   ARG  47          1HD       ARG  47  -4.794   1.009   2.937
  394   2HD   ARG  47          2HD       ARG  47  -3.597  -0.135   2.329
  395    HE   ARG  47           HE       ARG  47  -4.531   0.140   5.055
  396   1HH1  ARG  47          1HH1      ARG  47  -2.096  -1.145   2.921
  397   2HH1  ARG  47          2HH1      ARG  47  -1.578  -2.365   4.037
  398   1HH2  ARG  47          1HH2      ARG  47  -3.855  -1.459   6.532
  399   2HH2  ARG  47          2HH2      ARG  47  -2.578  -2.544   6.090
  400    H    LEU  48           H        LEU  48   0.354   3.669   1.645
  401    HA   LEU  48           HA       LEU  48   0.084   2.651  -1.104
  402   1HB   LEU  48          1HB       LEU  48   2.518   3.935   0.130
  403   2HB   LEU  48          2HB       LEU  48   2.266   3.549  -1.562
  404    HG   LEU  48           HG       LEU  48   0.772   5.649   0.011
  405   1HD1  LEU  48          1HD1      LEU  48   3.133   6.189  -0.519
  406   2HD1  LEU  48          2HD1      LEU  48   2.762   5.966  -2.229
  407   3HD1  LEU  48          3HD1      LEU  48   1.971   7.251  -1.316
  408   1HD2  LEU  48          1HD2      LEU  48  -0.007   4.247  -2.299
  409   2HD2  LEU  48          2HD2      LEU  48  -0.749   5.688  -1.604
  410   3HD2  LEU  48          3HD2      LEU  48   0.507   5.847  -2.832
  411    H    PHE  49           H        PHE  49   0.280   0.506  -1.165
  412    HA   PHE  49           HA       PHE  49   2.498  -0.719   0.329
  413   1HB   PHE  49          1HB       PHE  49  -0.369  -1.634   0.226
  414   2HB   PHE  49          2HB       PHE  49   0.943  -2.740   0.616
  415    HD1  PHE  49           HD1      PHE  49  -0.371   0.605   1.629
  416    HD2  PHE  49           HD2      PHE  49   1.494  -3.038   2.829
  417    HE1  PHE  49           HE1      PHE  49  -0.468   1.335   3.982
  418    HE2  PHE  49           HE2      PHE  49   1.401  -2.316   5.185
  419    HZ   PHE  49           HZ       PHE  49   0.420  -0.126   5.762
  420    H    CYS  50           H        CYS  50   3.293  -2.707  -0.565
  421    HA   CYS  50           HA       CYS  50   2.994  -2.783  -3.474
  422   1HB   CYS  50          1HB       CYS  50   5.106  -3.668  -1.552
  423   2HB   CYS  50          2HB       CYS  50   5.005  -4.458  -3.122
  424    H    ALA  51           H        ALA  51   1.229  -3.993  -3.951
  425    HA   ALA  51           HA       ALA  51   0.995  -6.645  -2.705
  426   1HB   ALA  51          1HB       ALA  51  -0.924  -4.637  -3.429
  427   2HB   ALA  51          2HB       ALA  51  -1.289  -6.153  -4.254
  428   3HB   ALA  51          3HB       ALA  51  -1.152  -6.116  -2.496
  429    H    ASP  52           H        ASP  52   0.987  -8.494  -3.909
  430    HA   ASP  52           HA       ASP  52   2.243  -8.414  -6.462
  431   1HB   ASP  52          1HB       ASP  52   2.150 -10.279  -4.535
  432   2HB   ASP  52          2HB       ASP  52   0.876 -10.902  -5.582
  433    HA   PRO  53           HA       PRO  53  -1.281  -7.999  -9.083
  434   1HB   PRO  53          1HB       PRO  53  -0.259  -9.156 -11.332
  435   2HB   PRO  53          2HB       PRO  53   0.142  -7.519 -10.803
  436   1HG   PRO  53          1HG       PRO  53   1.671 -10.059 -10.427
  437   2HG   PRO  53          2HG       PRO  53   2.267  -8.451 -10.873
  438   1HD   PRO  53          1HD       PRO  53   2.488  -9.407  -8.365
  439   2HD   PRO  53          2HD       PRO  53   2.205  -7.684  -8.691
  440    H    LYS  54           H        LYS  54   0.037 -10.983  -8.110
  441    HA   LYS  54           HA       LYS  54  -1.763 -12.676  -9.575
  442   1HB   LYS  54          1HB       LYS  54   0.325 -13.053  -7.490
  443   2HB   LYS  54          2HB       LYS  54  -0.907 -14.301  -7.632
  444   1HG   LYS  54          1HG       LYS  54  -0.174 -13.909 -10.239
  445   2HG   LYS  54          2HG       LYS  54   1.347 -13.685  -9.373
  446   1HD   LYS  54          1HD       LYS  54   0.149 -15.914  -8.191
  447   2HD   LYS  54          2HD       LYS  54  -0.111 -16.111  -9.926
  448   1HE   LYS  54          1HE       LYS  54   1.982 -17.152  -9.221
  449   2HE   LYS  54          2HE       LYS  54   2.277 -15.809 -10.326
  450   1HZ   LYS  54          1HZ       LYS  54   2.272 -14.925  -7.626
  451   2HZ   LYS  54          2HZ       LYS  54   3.389 -16.177  -7.836
  452   3HZ   LYS  54          3HZ       LYS  54   3.487 -14.786  -8.794
  453    H    GLU  55           H        GLU  55  -1.948 -10.812  -6.718
  454    HA   GLU  55           HA       GLU  55  -3.843 -12.347  -5.274
  455   1HB   GLU  55          1HB       GLU  55  -3.404  -9.356  -5.203
  456   2HB   GLU  55          2HB       GLU  55  -4.228 -10.315  -3.981
  457   1HG   GLU  55          1HG       GLU  55  -2.256 -11.302  -3.245
  458   2HG   GLU  55          2HG       GLU  55  -1.384 -10.876  -4.717
  459    H    GLN  56           H        GLN  56  -5.969 -12.575  -5.516
  460    HA   GLN  56           HA       GLN  56  -7.316 -11.802  -7.823
  461   1HB   GLN  56          1HB       GLN  56  -7.976 -13.664  -6.305
  462   2HB   GLN  56          2HB       GLN  56  -8.558 -12.473  -5.150
  463   1HG   GLN  56          1HG       GLN  56  -9.605 -12.823  -7.950
  464   2HG   GLN  56          2HG       GLN  56 -10.357 -13.465  -6.491
  465   1HE2  GLN  56          2HE2      GLN  56  -9.889 -10.727  -8.486
  466   2HE2  GLN  56          1HE2      GLN  56 -10.873  -9.622  -7.596
  467    H    TRP  57           H        TRP  57  -7.774 -10.507  -4.534
  468    HA   TRP  57           HA       TRP  57  -9.566  -8.500  -5.099
  469   1HB   TRP  57          1HB       TRP  57  -8.952  -7.497  -3.034
  470   2HB   TRP  57          2HB       TRP  57  -8.730  -9.231  -2.829
  471    HD1  TRP  57           HD1      TRP  57  -6.039 -10.059  -3.208
  472    HE1  TRP  57           HE1      TRP  57  -3.915  -8.896  -2.333
  473    HE3  TRP  57           HE3      TRP  57  -7.946  -5.378  -2.407
  474    HZ2  TRP  57           HZ2      TRP  57  -3.149  -6.332  -1.421
  475    HZ3  TRP  57           HZ3      TRP  57  -6.452  -3.625  -1.531
  476    HH2  TRP  57           HH2      TRP  57  -4.101  -4.095  -1.047
  477    H    VAL  58           H        VAL  58  -6.286  -8.653  -6.094
  478    HA   VAL  58           HA       VAL  58  -6.032  -5.778  -6.418
  479    HB   VAL  58           HB       VAL  58  -4.166  -8.003  -7.250
  480   1HG1  VAL  58          1HG1      VAL  58  -4.237  -5.253  -7.996
  481   2HG1  VAL  58          2HG1      VAL  58  -2.829  -5.530  -6.970
  482   3HG1  VAL  58          3HG1      VAL  58  -3.056  -6.488  -8.434
  483   1HG2  VAL  58          1HG2      VAL  58  -4.486  -7.755  -4.805
  484   2HG2  VAL  58          2HG2      VAL  58  -2.844  -7.385  -5.331
  485   3HG2  VAL  58          3HG2      VAL  58  -3.959  -6.078  -4.937
  486    H    LYS  59           H        LYS  59  -6.519  -8.636  -8.438
  487    HA   LYS  59           HA       LYS  59  -6.253  -7.328 -10.928
  488   1HB   LYS  59          1HB       LYS  59  -8.046  -9.700 -10.420
  489   2HB   LYS  59          2HB       LYS  59  -7.213  -9.271 -11.906
  490   1HG   LYS  59          1HG       LYS  59  -5.197 -10.078 -11.174
  491   2HG   LYS  59          2HG       LYS  59  -5.611  -9.873  -9.470
  492   1HD   LYS  59          1HD       LYS  59  -7.228 -11.717  -9.668
  493   2HD   LYS  59          2HD       LYS  59  -6.746 -11.941 -11.347
  494   1HE   LYS  59          1HE       LYS  59  -4.425 -12.360 -10.563
  495   2HE   LYS  59          2HE       LYS  59  -5.015 -12.281  -8.903
  496   1HZ   LYS  59          1HZ       LYS  59  -6.541 -14.134  -9.477
  497   2HZ   LYS  59          2HZ       LYS  59  -5.771 -14.265 -10.977
  498   3HZ   LYS  59          3HZ       LYS  59  -4.903 -14.554  -9.555
  499    H    ASP  60           H        ASP  60  -9.099  -8.106  -8.949
  500    HA   ASP  60           HA       ASP  60 -10.927  -6.783 -10.703
  501   1HB   ASP  60          1HB       ASP  60 -11.160  -7.813  -7.878
  502   2HB   ASP  60          2HB       ASP  60 -12.483  -6.979  -8.684
  503    H    ALA  61           H        ALA  61  -9.357  -5.941  -7.629
  504    HA   ALA  61           HA       ALA  61 -10.569  -3.551  -7.067
  505   1HB   ALA  61          1HB       ALA  61  -7.774  -4.527  -6.661
  506   2HB   ALA  61          2HB       ALA  61  -8.196  -2.869  -6.237
  507   3HB   ALA  61          3HB       ALA  61  -9.037  -4.216  -5.470
  508    H    MET  62           H        MET  62  -8.027  -4.209  -9.420
  509    HA   MET  62           HA       MET  62  -7.633  -1.487 -10.161
  510   1HB   MET  62          1HB       MET  62  -6.782  -4.134 -11.245
  511   2HB   MET  62          2HB       MET  62  -6.663  -2.728 -12.293
  512   1HG   MET  62          1HG       MET  62  -5.388  -1.630 -10.369
  513   2HG   MET  62          2HG       MET  62  -5.255  -3.258  -9.705
  514   1HE   MET  62          1HE       MET  62  -4.810  -5.173 -11.220
  515   2HE   MET  62          2HE       MET  62  -4.474  -4.952 -12.938
  516   3HE   MET  62          3HE       MET  62  -3.150  -5.241 -11.808
  517    H    GLN  63           H        GLN  63  -9.115  -4.193 -11.970
  518    HA   GLN  63           HA       GLN  63 -10.165  -2.813 -14.078
  519   1HB   GLN  63          1HB       GLN  63 -10.335  -5.308 -13.601
  520   2HB   GLN  63          2HB       GLN  63 -11.734  -4.931 -12.604
  521   1HG   GLN  63          1HG       GLN  63 -12.119  -3.661 -15.094
  522   2HG   GLN  63          2HG       GLN  63 -11.586  -5.311 -15.420
  523   1HE2  GLN  63          2HE2      GLN  63 -13.115  -6.781 -15.502
  524   2HE2  GLN  63          1HE2      GLN  63 -14.670  -6.681 -14.757
  525    H    HIS  64           H        HIS  64 -11.147  -2.739 -10.762
  526    HA   HIS  64           HA       HIS  64 -13.694  -1.526 -11.169
  527   1HB   HIS  64          1HB       HIS  64 -13.043  -2.808  -9.118
  528   2HB   HIS  64          2HB       HIS  64 -11.978  -1.476  -8.681
  529    HD1  HIS  64           HD1      HIS  64 -15.672  -1.923  -9.499
  530    HD2  HIS  64           HD2      HIS  64 -13.169   0.284  -7.023
  531    HE1  HIS  64           HE1      HIS  64 -17.200  -0.536  -8.060
  532    HE2  HIS  64           HE2      HIS  64 -15.666   0.728  -6.513
  533    H    LEU  65           H        LEU  65 -10.553  -0.285 -10.054
  534    HA   LEU  65           HA       LEU  65 -11.347   2.427  -9.987
  535   1HB   LEU  65          1HB       LEU  65  -8.709   1.006 -10.015
  536   2HB   LEU  65          2HB       LEU  65  -8.762   2.751 -10.186
  537    HG   LEU  65           HG       LEU  65  -9.953   1.243  -7.858
  538   1HD1  LEU  65          1HD1      LEU  65  -7.327   2.707  -8.077
  539   2HD1  LEU  65          2HD1      LEU  65  -8.026   2.076  -6.586
  540   3HD1  LEU  65          3HD1      LEU  65  -7.544   0.969  -7.872
  541   1HD2  LEU  65          1HD2      LEU  65 -10.947   3.460  -8.410
  542   2HD2  LEU  65          2HD2      LEU  65 -10.177   3.392  -6.824
  543   3HD2  LEU  65          3HD2      LEU  65  -9.355   4.180  -8.171
  544    H    ASP  66           H        ASP  66 -10.172   0.342 -12.514
  545    HA   ASP  66           HA       ASP  66  -9.338   2.294 -14.361
  546   1HB   ASP  66          1HB       ASP  66 -10.390  -0.512 -14.741
  547   2HB   ASP  66          2HB       ASP  66  -9.784   0.474 -16.068
  548    H    ARG  67           H        ARG  67 -12.384   0.428 -14.348
  549    HA   ARG  67           HA       ARG  67 -13.609   2.479 -16.028
  550   1HB   ARG  67          1HB       ARG  67 -14.175  -0.362 -15.401
  551   2HB   ARG  67          2HB       ARG  67 -15.573   0.660 -15.704
  552   1HG   ARG  67          1HG       ARG  67 -15.250   0.406 -17.875
  553   2HG   ARG  67          2HG       ARG  67 -13.700   1.236 -17.725
  554   1HD   ARG  67          1HD       ARG  67 -12.515  -0.676 -17.842
  555   2HD   ARG  67          2HD       ARG  67 -13.695  -1.584 -16.896
  556    HE   ARG  67           HE       ARG  67 -13.468  -1.557 -19.706
  557   1HH1  ARG  67          1HH1      ARG  67 -15.860  -1.514 -17.176
  558   2HH1  ARG  67          2HH1      ARG  67 -17.084  -2.272 -18.141
  559   1HH2  ARG  67          1HH2      ARG  67 -15.071  -2.557 -20.987
  560   2HH2  ARG  67          2HH2      ARG  67 -16.634  -2.865 -20.307
  561    H    GLN  68           H        GLN  68 -13.119   3.578 -13.660
  562    HA   GLN  68           HA       GLN  68 -15.782   4.017 -12.593
  563   1HB   GLN  68          1HB       GLN  68 -15.097   2.281 -11.114
  564   2HB   GLN  68          2HB       GLN  68 -13.492   2.976 -10.930
  565   1HG   GLN  68          1HG       GLN  68 -14.873   5.013  -9.973
  566   2HG   GLN  68          2HG       GLN  68 -16.055   3.744  -9.652
  567   1HE2  GLN  68          2HE2      GLN  68 -13.870   1.757  -9.339
  568   2HE2  GLN  68          1HE2      GLN  68 -13.224   2.043  -7.762
  569    H    ALA  69           H        ALA  69 -12.344   4.755 -11.995
  570    HA   ALA  69           HA       ALA  69 -12.723   7.317 -10.950
  571   1HB   ALA  69          1HB       ALA  69 -10.495   5.713 -11.861
  572   2HB   ALA  69          2HB       ALA  69 -10.275   7.418 -12.257
  573   3HB   ALA  69          3HB       ALA  69 -10.562   6.930 -10.586
  574    H    ALA  70           H        ALA  70 -12.254   6.245 -14.289
  575    HA   ALA  70           HA       ALA  70 -12.177   8.869 -15.396
  576   1HB   ALA  70          1HB       ALA  70 -12.520   6.130 -16.566
  577   2HB   ALA  70          2HB       ALA  70 -12.659   7.578 -17.560
  578   3HB   ALA  70          3HB       ALA  70 -11.153   7.235 -16.709
  579    H    ALA  71           H        ALA  71 -14.716   6.501 -14.829
  580    HA   ALA  71           HA       ALA  71 -16.748   7.689 -16.336
  581   1HB   ALA  71          1HB       ALA  71 -16.758   5.393 -15.294
  582   2HB   ALA  71          2HB       ALA  71 -17.180   6.179 -13.772
  583   3HB   ALA  71          3HB       ALA  71 -18.263   6.303 -15.159
  584    H    LEU  72           H        LEU  72 -15.195   8.802 -13.562
  585    HA   LEU  72           HA       LEU  72 -17.427  10.626 -12.949
  586   1HB   LEU  72          1HB       LEU  72 -16.582   9.005 -11.150
  587   2HB   LEU  72          2HB       LEU  72 -15.154  10.013 -11.086
  588    HG   LEU  72           HG       LEU  72 -17.422  11.682 -10.875
  589   1HD1  LEU  72          1HD1      LEU  72 -18.472   9.485 -10.136
  590   2HD1  LEU  72          2HD1      LEU  72 -17.417   9.596  -8.727
  591   3HD1  LEU  72          3HD1      LEU  72 -18.611  10.857  -9.036
  592   1HD2  LEU  72          1HD2      LEU  72 -14.964  11.056  -9.427
  593   2HD2  LEU  72          2HD2      LEU  72 -15.706  12.617  -9.782
  594   3HD2  LEU  72          3HD2      LEU  72 -16.275  11.661  -8.413
  595    H    THR  73           H        THR  73 -13.887  10.400 -13.138
  596    HA   THR  73           HA       THR  73 -13.832  13.196 -14.024
  597    HB   THR  73           HB       THR  73 -12.159  13.843 -12.536
  598    HG1  THR  73           HG1      THR  73 -10.708  12.522 -11.724
  599   1HG2  THR  73          1HG2      THR  73 -13.895  11.926 -11.003
  600   2HG2  THR  73          2HG2      THR  73 -12.796  13.088 -10.261
  601   3HG2  THR  73          3HG2      THR  73 -14.151  13.655 -11.237
  602    H    ARG  74           H        ARG  74 -13.449  12.542 -16.134
  603    HA   ARG  74           HA       ARG  74 -11.491  10.639 -16.878
  604   1HB   ARG  74          1HB       ARG  74 -12.533  12.901 -18.585
  605   2HB   ARG  74          2HB       ARG  74 -11.855  11.376 -19.134
  606   1HG   ARG  74          1HG       ARG  74 -13.805  10.267 -17.920
  607   2HG   ARG  74          2HG       ARG  74 -14.511  11.881 -17.842
  608   1HD   ARG  74          1HD       ARG  74 -13.601  11.455 -20.494
  609   2HD   ARG  74          2HD       ARG  74 -14.519  10.033 -20.005
  610    HE   ARG  74           HE       ARG  74 -15.803  12.549 -19.416
  611   1HH1  ARG  74          1HH1      ARG  74 -15.360  10.004 -21.752
  612   2HH1  ARG  74          2HH1      ARG  74 -16.846  10.330 -22.582
  613   1HH2  ARG  74          1HH2      ARG  74 -17.762  12.985 -20.500
  614   2HH2  ARG  74          2HH2      ARG  74 -18.211  12.024 -21.870
  615    H    ASN  75           H        ASN  75  -9.449  10.960 -16.195
  616    HA   ASN  75           HA       ASN  75  -8.145  13.471 -17.009
  617   1HB   ASN  75          1HB       ASN  75  -8.481  13.383 -14.548
  618   2HB   ASN  75          2HB       ASN  75  -7.534  11.897 -14.498
  619   1HD2  ASN  75          2HD2      ASN  75  -7.443  15.336 -15.066
  620   2HD2  ASN  75          1HD2      ASN  75  -5.733  15.517 -14.896
  621    H    GLY  76           H        GLY  76  -7.338  10.192 -15.841
  622   1HA   GLY  76          1HA       GLY  76  -4.817   9.963 -16.927
  623   2HA   GLY  76          2HA       GLY  76  -5.912   8.607 -16.699
  Start of MODEL    7
    1   2H    MET   0          2H        MET   0  21.273   9.740   2.986
    2   3H    MET   0          3H        MET   0  21.380   8.112   3.514
    3   1H    MET   0          1H        MET   0  22.459   9.290   4.143
    4    HA   MET   0           HA       MET   0  22.393   8.022   1.516
    5   1HB   MET   0          1HB       MET   0  22.412  10.713   1.681
    6   2HB   MET   0          2HB       MET   0  24.126  10.397   1.922
    7   1HG   MET   0          1HG       MET   0  23.557   8.810  -0.221
    8   2HG   MET   0          2HG       MET   0  22.493  10.190  -0.489
    9   1HE   MET   0          1HE       MET   0  24.212   9.876  -2.739
   10   2HE   MET   0          2HE       MET   0  23.503  11.476  -2.514
   11   3HE   MET   0          3HE       MET   0  25.214  11.317  -2.911
   12    H    GLN   1           H        GLN   1  23.185   7.497   4.425
   13    HA   GLN   1           HA       GLN   1  26.060   7.042   3.994
   14   1HB   GLN   1          1HB       GLN   1  24.538   7.952   6.264
   15   2HB   GLN   1          2HB       GLN   1  25.403   6.477   6.675
   16   1HG   GLN   1          1HG       GLN   1  27.459   7.615   5.685
   17   2HG   GLN   1          2HG       GLN   1  26.516   9.102   5.755
   18   1HE2  GLN   1          2HE2      GLN   1  25.108   8.446   8.151
   19   2HE2  GLN   1          1HE2      GLN   1  26.235   8.558   9.456
   20    H    HIS   2           H        HIS   2  23.813   5.429   6.199
   21    HA   HIS   2           HA       HIS   2  24.671   2.858   5.067
   22   1HB   HIS   2          1HB       HIS   2  24.312   1.873   7.154
   23   2HB   HIS   2          2HB       HIS   2  24.946   3.461   7.572
   24    HD1  HIS   2           HD1      HIS   2  23.335   5.124   8.706
   25    HD2  HIS   2           HD2      HIS   2  21.624   1.440   7.832
   26    HE1  HIS   2           HE1      HIS   2  21.157   5.081   9.960
   27    HE2  HIS   2           HE2      HIS   2  20.098   2.880   9.344
   28    H    HIS   3           H        HIS   3  21.808   4.666   6.096
   29    HA   HIS   3           HA       HIS   3  19.754   2.970   5.816
   30   1HB   HIS   3          1HB       HIS   3  19.961   5.689   5.846
   31   2HB   HIS   3          2HB       HIS   3  19.329   5.414   4.226
   32    HD1  HIS   3           HD1      HIS   3  17.531   2.926   5.072
   33    HD2  HIS   3           HD2      HIS   3  17.589   6.663   6.888
   34    HE1  HIS   3           HE1      HIS   3  15.301   3.154   6.215
   35    HE2  HIS   3           HE2      HIS   3  15.405   5.375   7.397
   36    H    GLY   4           H        GLY   4  21.732   4.188   3.183
   37   1HA   GLY   4          1HA       GLY   4  22.077   2.722   1.272
   38   2HA   GLY   4          2HA       GLY   4  20.385   2.260   1.399
   39    H    VAL   5           H        VAL   5  22.126   3.534  -0.759
   40    HA   VAL   5           HA       VAL   5  20.394   5.860  -1.291
   41    HB   VAL   5           HB       VAL   5  22.733   6.512  -1.052
   42   1HG1  VAL   5          1HG1      VAL   5  23.200   4.093  -2.483
   43   2HG1  VAL   5          2HG1      VAL   5  23.905   5.432  -3.389
   44   3HG1  VAL   5          3HG1      VAL   5  24.368   5.165  -1.708
   45   1HG2  VAL   5          1HG2      VAL   5  21.144   6.916  -3.421
   46   2HG2  VAL   5          2HG2      VAL   5  22.161   8.059  -2.543
   47   3HG2  VAL   5          3HG2      VAL   5  22.864   7.031  -3.792
   48    H    THR   6           H        THR   6  18.783   4.568  -2.280
   49    HA   THR   6           HA       THR   6  19.569   3.445  -4.888
   50    HB   THR   6           HB       THR   6  18.765   1.704  -3.394
   51    HG1  THR   6           HG1      THR   6  18.095   1.204  -5.368
   52   1HG2  THR   6          1HG2      THR   6  17.275   3.348  -2.069
   53   2HG2  THR   6          2HG2      THR   6  16.058   2.951  -3.283
   54   3HG2  THR   6          3HG2      THR   6  16.752   1.677  -2.279
   55    H    LYS   7           H        LYS   7  17.611   5.695  -3.221
   56    HA   LYS   7           HA       LYS   7  16.166   7.311  -3.903
   57   1HB   LYS   7          1HB       LYS   7  17.946   6.865  -6.138
   58   2HB   LYS   7          2HB       LYS   7  16.348   7.338  -6.700
   59   1HG   LYS   7          1HG       LYS   7  17.219   8.980  -4.489
   60   2HG   LYS   7          2HG       LYS   7  18.371   9.015  -5.825
   61   1HD   LYS   7          1HD       LYS   7  17.036  10.419  -6.913
   62   2HD   LYS   7          2HD       LYS   7  15.778   9.181  -6.941
   63   1HE   LYS   7          1HE       LYS   7  16.211  10.936  -4.546
   64   2HE   LYS   7          2HE       LYS   7  15.207  11.455  -5.900
   65   1HZ   LYS   7          1HZ       LYS   7  14.775   8.917  -4.427
   66   2HZ   LYS   7          2HZ       LYS   7  13.986  10.363  -4.040
   67   3HZ   LYS   7          3HZ       LYS   7  13.742   9.642  -5.551
   68    H    CYS   8           H        CYS   8  15.001   4.905  -3.435
   69    HA   CYS   8           HA       CYS   8  12.973   4.719  -5.566
   70   1HB   CYS   8          1HB       CYS   8  14.310   2.594  -3.947
   71   2HB   CYS   8          2HB       CYS   8  12.637   2.350  -4.432
   72    H    ASN   9           H        ASN   9  11.755   6.358  -4.543
   73    HA   ASN   9           HA       ASN   9  10.958   6.816  -2.062
   74   1HB   ASN   9          1HB       ASN   9   8.536   7.071  -3.074
   75   2HB   ASN   9          2HB       ASN   9   9.840   8.142  -3.577
   76   1HD2  ASN   9          2HD2      ASN   9   7.602   5.752  -4.530
   77   2HD2  ASN   9          1HD2      ASN   9   8.044   5.675  -6.199
   78    H    ILE  10           H        ILE  10   9.562   4.181  -4.010
   79    HA   ILE  10           HA       ILE  10   8.668   2.943  -1.487
   80    HB   ILE  10           HB       ILE  10   6.788   3.826  -2.892
   81   1HG1  ILE  10          1HG1      ILE  10   6.515   0.858  -2.814
   82   2HG1  ILE  10          2HG1      ILE  10   6.873   1.692  -1.306
   83   1HG2  ILE  10          1HG2      ILE  10   7.943   3.166  -5.060
   84   2HG2  ILE  10          2HG2      ILE  10   7.380   1.526  -4.732
   85   3HG2  ILE  10          3HG2      ILE  10   6.214   2.833  -4.945
   86   1HD1  ILE  10          1HD1      ILE  10   4.878   3.201  -1.972
   87   2HD1  ILE  10          2HD1      ILE  10   4.447   1.850  -3.020
   88   3HD1  ILE  10          3HD1      ILE  10   4.585   1.605  -1.279
   89    H    THR  11           H        THR  11   8.951   0.760  -1.250
   90    HA   THR  11           HA       THR  11  10.211  -0.706  -3.461
   91    HB   THR  11           HB       THR  11  11.940   0.143  -1.846
   92    HG1  THR  11           HG1      THR  11  11.680  -2.678  -1.871
   93   1HG2  THR  11          1HG2      THR  11  10.331  -1.489   0.051
   94   2HG2  THR  11          2HG2      THR  11  12.082  -1.411   0.239
   95   3HG2  THR  11          3HG2      THR  11  11.122   0.068   0.291
   96    H    CYS  12           H        CYS  12   9.608  -2.816  -3.649
   97    HA   CYS  12           HA       CYS  12   7.493  -3.710  -1.828
   98   1HB   CYS  12          1HB       CYS  12   8.267  -4.597  -4.610
   99   2HB   CYS  12          2HB       CYS  12   7.034  -5.399  -3.643
  100    H    SER  13           H        SER  13   9.276  -4.161  -0.249
  101    HA   SER  13           HA       SER  13  11.034  -6.365  -0.758
  102   1HB   SER  13          1HB       SER  13  10.928  -4.335   1.128
  103   2HB   SER  13          2HB       SER  13  10.544  -5.780   2.061
  104    HG   SER  13           HG       SER  13  12.914  -4.974   1.265
  105    H    LYS  14           H        LYS  14   7.880  -5.945   0.691
  106    HA   LYS  14           HA       LYS  14   7.589  -8.855   0.797
  107   1HB   LYS  14          1HB       LYS  14   6.978  -8.973   2.998
  108   2HB   LYS  14          2HB       LYS  14   8.114  -7.636   3.093
  109   1HG   LYS  14          1HG       LYS  14   5.134  -7.308   2.825
  110   2HG   LYS  14          2HG       LYS  14   6.011  -7.278   4.356
  111   1HD   LYS  14          1HD       LYS  14   7.083  -5.276   3.843
  112   2HD   LYS  14          2HD       LYS  14   6.796  -5.456   2.111
  113   1HE   LYS  14          1HE       LYS  14   4.711  -4.874   4.211
  114   2HE   LYS  14          2HE       LYS  14   5.374  -3.717   3.057
  115   1HZ   LYS  14          1HZ       LYS  14   4.440  -5.921   1.622
  116   2HZ   LYS  14          2HZ       LYS  14   3.224  -5.484   2.713
  117   3HZ   LYS  14          3HZ       LYS  14   3.830  -4.343   1.622
  118    H    MET  15           H        MET  15   5.381  -9.586   0.752
  119    HA   MET  15           HA       MET  15   3.706  -7.814  -0.820
  120   1HB   MET  15          1HB       MET  15   3.679 -10.738  -0.175
  121   2HB   MET  15          2HB       MET  15   2.219  -9.971  -0.787
  122   1HG   MET  15          1HG       MET  15   3.769 -11.090  -2.467
  123   2HG   MET  15          2HG       MET  15   3.194  -9.465  -2.836
  124   1HE   MET  15          1HE       MET  15   4.247  -7.914  -3.603
  125   2HE   MET  15          2HE       MET  15   5.625  -7.152  -2.808
  126   3HE   MET  15          3HE       MET  15   5.870  -8.115  -4.264
  127    H    THR  16           H        THR  16   1.225  -8.154  -0.341
  128    HA   THR  16           HA       THR  16   0.776  -7.829   2.548
  129    HB   THR  16           HB       THR  16   0.823  -5.649   1.227
  130    HG1  THR  16           HG1      THR  16  -1.719  -5.878   2.312
  131   1HG2  THR  16          1HG2      THR  16  -1.241  -7.030  -0.253
  132   2HG2  THR  16          2HG2      THR  16  -1.801  -5.491   0.398
  133   3HG2  THR  16          3HG2      THR  16  -0.373  -5.544  -0.635
  134    H    SER  17           H        SER  17  -1.808  -7.681   2.824
  135    HA   SER  17           HA       SER  17  -2.830 -10.120   1.540
  136   1HB   SER  17          1HB       SER  17  -3.336  -8.845   4.213
  137   2HB   SER  17          2HB       SER  17  -4.523  -9.949   3.518
  138    HG   SER  17           HG       SER  17  -2.441 -10.626   4.887
  139    H    LYS  18           H        LYS  18  -5.437 -10.019   1.765
  140    HA   LYS  18           HA       LYS  18  -6.297  -8.309  -0.266
  141   1HB   LYS  18          1HB       LYS  18  -7.351 -10.478   0.944
  142   2HB   LYS  18          2HB       LYS  18  -8.331  -9.220   1.683
  143   1HG   LYS  18          1HG       LYS  18  -8.890  -8.407  -0.605
  144   2HG   LYS  18          2HG       LYS  18  -8.046  -9.816  -1.252
  145   1HD   LYS  18          1HD       LYS  18 -10.009 -10.874  -1.110
  146   2HD   LYS  18          2HD       LYS  18  -9.736 -10.905   0.634
  147   1HE   LYS  18          1HE       LYS  18 -10.767  -8.412   0.293
  148   2HE   LYS  18          2HE       LYS  18 -11.620  -9.313  -0.960
  149   1HZ   LYS  18          1HZ       LYS  18 -11.731 -10.933   1.234
  150   2HZ   LYS  18          2HZ       LYS  18 -11.961  -9.386   1.876
  151   3HZ   LYS  18          3HZ       LYS  18 -12.984  -9.953   0.655
  152    H    ILE  19           H        ILE  19  -7.649  -6.477  -0.250
  153    HA   ILE  19           HA       ILE  19  -8.085  -5.103   2.280
  154    HB   ILE  19           HB       ILE  19  -6.593  -3.742   0.036
  155   1HG1  ILE  19          1HG1      ILE  19  -5.578  -4.723   2.715
  156   2HG1  ILE  19          2HG1      ILE  19  -5.170  -5.410   1.145
  157   1HG2  ILE  19          1HG2      ILE  19  -8.173  -2.461   1.638
  158   2HG2  ILE  19          2HG2      ILE  19  -6.897  -2.714   2.829
  159   3HG2  ILE  19          3HG2      ILE  19  -6.553  -1.830   1.342
  160   1HD1  ILE  19          1HD1      ILE  19  -4.501  -2.769   0.845
  161   2HD1  ILE  19          2HD1      ILE  19  -4.064  -3.105   2.520
  162   3HD1  ILE  19          3HD1      ILE  19  -3.390  -4.086   1.219
  163    HA   PRO  20           HA       PRO  20 -11.939  -4.066   0.396
  164   1HB   PRO  20          1HB       PRO  20 -12.271  -1.606   1.660
  165   2HB   PRO  20          2HB       PRO  20 -12.750  -3.171   2.322
  166   1HG   PRO  20          1HG       PRO  20 -10.289  -1.563   2.847
  167   2HG   PRO  20          2HG       PRO  20 -11.262  -2.528   3.973
  168   1HD   PRO  20          1HD       PRO  20  -8.927  -3.434   3.041
  169   2HD   PRO  20          2HD       PRO  20 -10.307  -4.529   3.272
  170    H    VAL  21           H        VAL  21 -12.209  -3.333  -1.602
  171    HA   VAL  21           HA       VAL  21 -10.418  -1.513  -2.842
  172    HB   VAL  21           HB       VAL  21 -13.093  -1.912  -4.063
  173   1HG1  VAL  21          1HG1      VAL  21 -11.201  -0.757  -5.185
  174   2HG1  VAL  21          2HG1      VAL  21 -10.310  -2.279  -5.161
  175   3HG1  VAL  21          3HG1      VAL  21 -11.812  -2.149  -6.078
  176   1HG2  VAL  21          1HG2      VAL  21 -11.234  -4.148  -3.379
  177   2HG2  VAL  21          2HG2      VAL  21 -12.995  -4.086  -3.292
  178   3HG2  VAL  21          3HG2      VAL  21 -12.193  -4.210  -4.858
  179    H    ALA  22           H        ALA  22 -13.264  -1.099  -0.983
  180    HA   ALA  22           HA       ALA  22 -14.204   1.332  -2.044
  181   1HB   ALA  22          1HB       ALA  22 -15.066  -0.395  -0.115
  182   2HB   ALA  22          2HB       ALA  22 -14.568   1.003   0.840
  183   3HB   ALA  22          3HB       ALA  22 -15.764   1.191  -0.443
  184    H    LEU  23           H        LEU  23 -11.334   0.642  -0.453
  185    HA   LEU  23           HA       LEU  23 -11.063   3.383   0.572
  186   1HB   LEU  23          1HB       LEU  23  -9.113   1.150   1.051
  187   2HB   LEU  23          2HB       LEU  23  -9.343   2.617   1.983
  188    HG   LEU  23           HG       LEU  23 -11.038   0.138   1.958
  189   1HD1  LEU  23          1HD1      LEU  23  -9.015   0.571   3.508
  190   2HD1  LEU  23          2HD1      LEU  23 -10.099   1.690   4.337
  191   3HD1  LEU  23          3HD1      LEU  23 -10.522  -0.018   4.209
  192   1HD2  LEU  23          1HD2      LEU  23 -11.814   2.926   2.711
  193   2HD2  LEU  23          2HD2      LEU  23 -12.731   1.711   1.820
  194   3HD2  LEU  23          3HD2      LEU  23 -12.502   1.542   3.561
  195    H    LEU  24           H        LEU  24 -10.052   1.264  -1.921
  196    HA   LEU  24           HA       LEU  24  -7.558   2.460  -2.550
  197   1HB   LEU  24          1HB       LEU  24  -9.489   0.842  -4.207
  198   2HB   LEU  24          2HB       LEU  24  -7.923   1.369  -4.794
  199    HG   LEU  24           HG       LEU  24  -8.381  -0.453  -2.427
  200   1HD1  LEU  24          1HD1      LEU  24  -8.149  -0.940  -5.280
  201   2HD1  LEU  24          2HD1      LEU  24  -6.927  -1.801  -4.343
  202   3HD1  LEU  24          3HD1      LEU  24  -8.637  -2.029  -3.980
  203   1HD2  LEU  24          1HD2      LEU  24  -6.034   0.987  -3.449
  204   2HD2  LEU  24          2HD2      LEU  24  -6.353   0.322  -1.846
  205   3HD2  LEU  24          3HD2      LEU  24  -5.779  -0.730  -3.139
  206    H    ILE  25           H        ILE  25  -7.088   4.273  -3.631
  207    HA   ILE  25           HA       ILE  25  -9.288   5.661  -5.017
  208    HB   ILE  25           HB       ILE  25  -8.275   7.791  -4.401
  209   1HG1  ILE  25          1HG1      ILE  25  -6.361   6.200  -2.683
  210   2HG1  ILE  25          2HG1      ILE  25  -5.931   6.883  -4.248
  211   1HG2  ILE  25          1HG2      ILE  25  -8.769   5.969  -2.052
  212   2HG2  ILE  25          2HG2      ILE  25  -8.756   7.731  -1.984
  213   3HG2  ILE  25          3HG2      ILE  25  -9.978   6.894  -2.940
  214   1HD1  ILE  25          1HD1      ILE  25  -7.111   8.856  -2.493
  215   2HD1  ILE  25          2HD1      ILE  25  -5.675   8.108  -1.796
  216   3HD1  ILE  25          3HD1      ILE  25  -5.583   8.889  -3.375
  217    H    HIS  26           H        HIS  26  -5.941   4.695  -5.058
  218    HA   HIS  26           HA       HIS  26  -5.819   5.092  -7.906
  219   1HB   HIS  26          1HB       HIS  26  -4.639   7.039  -6.084
  220   2HB   HIS  26          2HB       HIS  26  -3.452   6.347  -7.185
  221    HD1  HIS  26           HD1      HIS  26  -5.215   6.103  -9.710
  222    HD2  HIS  26           HD2      HIS  26  -5.057   9.459  -7.267
  223    HE1  HIS  26           HE1      HIS  26  -5.953   8.022 -11.156
  224    HE2  HIS  26           HE2      HIS  26  -5.760  10.056  -9.682
  225    H    TYR  27           H        TYR  27  -4.279   3.827  -8.885
  226    HA   TYR  27           HA       TYR  27  -2.571   2.224  -7.101
  227   1HB   TYR  27          1HB       TYR  27  -3.044   0.255  -8.296
  228   2HB   TYR  27          2HB       TYR  27  -4.611   1.038  -8.116
  229    HD1  TYR  27           HD1      TYR  27  -1.866   0.326 -10.489
  230    HD2  TYR  27           HD2      TYR  27  -5.848   1.771 -10.017
  231    HE1  TYR  27           HE1      TYR  27  -2.182   0.239 -12.932
  232    HE2  TYR  27           HE2      TYR  27  -6.175   1.687 -12.458
  233    HH   TYR  27           HH       TYR  27  -5.073   1.521 -14.461
  234    H    GLN  28           H        GLN  28  -0.526   1.660  -7.873
  235    HA   GLN  28           HA       GLN  28   0.284   2.880 -10.416
  236   1HB   GLN  28          1HB       GLN  28   2.500   3.045  -8.678
  237   2HB   GLN  28          2HB       GLN  28   1.578   4.367  -9.380
  238   1HG   GLN  28          1HG       GLN  28   0.461   3.060  -6.976
  239   2HG   GLN  28          2HG       GLN  28   1.895   4.061  -6.764
  240   1HE2  GLN  28          2HE2      GLN  28  -0.911   4.414  -5.889
  241   2HE2  GLN  28          1HE2      GLN  28  -1.385   5.962  -6.494
  242    H    GLN  29           H        GLN  29   2.384   2.044 -11.221
  243    HA   GLN  29           HA       GLN  29   2.570  -0.829 -10.661
  244   1HB   GLN  29          1HB       GLN  29   2.135  -0.199 -12.989
  245   2HB   GLN  29          2HB       GLN  29   3.595   0.780 -13.008
  246   1HG   GLN  29          1HG       GLN  29   3.976  -1.324 -14.126
  247   2HG   GLN  29          2HG       GLN  29   4.944  -1.230 -12.656
  248   1HE2  GLN  29          2HE2      GLN  29   2.226  -2.740 -14.214
  249   2HE2  GLN  29          1HE2      GLN  29   2.047  -4.039 -13.090
  250    H    ASN  30           H        ASN  30   4.538  -1.834 -10.237
  251    HA   ASN  30           HA       ASN  30   6.443  -0.227  -8.827
  252   1HB   ASN  30          1HB       ASN  30   5.878  -2.470  -8.037
  253   2HB   ASN  30          2HB       ASN  30   6.490  -3.168  -9.533
  254   1HD2  ASN  30          2HD2      ASN  30   7.441  -1.256  -6.728
  255   2HD2  ASN  30          1HD2      ASN  30   9.077  -1.809  -6.682
  256    H    GLN  31           H        GLN  31   8.541   0.263  -9.367
  257    HA   GLN  31           HA       GLN  31   9.157   0.152 -12.209
  258   1HB   GLN  31          1HB       GLN  31   9.954   1.833  -9.929
  259   2HB   GLN  31          2HB       GLN  31  11.251   1.481 -11.063
  260   1HG   GLN  31          1HG       GLN  31   8.702   2.321 -12.267
  261   2HG   GLN  31          2HG       GLN  31   9.541   3.542 -11.312
  262   1HE2  GLN  31          2HE2      GLN  31   9.240   4.076 -13.889
  263   2HE2  GLN  31          1HE2      GLN  31  10.724   3.892 -14.755
  264    H    ALA  32           H        ALA  32  10.653  -1.127 -13.103
  265    HA   ALA  32           HA       ALA  32  11.726  -3.318 -11.733
  266   1HB   ALA  32          1HB       ALA  32  11.447  -2.660 -14.344
  267   2HB   ALA  32          2HB       ALA  32  13.188  -2.475 -14.139
  268   3HB   ALA  32          3HB       ALA  32  12.414  -4.013 -13.758
  269    H    SER  33           H        SER  33  12.704  -2.316  -9.859
  270    HA   SER  33           HA       SER  33  15.465  -2.236  -9.918
  271   1HB   SER  33          1HB       SER  33  16.142  -0.084 -10.218
  272   2HB   SER  33          2HB       SER  33  14.634   0.038 -11.125
  273    HG   SER  33           HG       SER  33  15.049   1.675  -9.436
  274    H    CYS  34           H        CYS  34  12.526  -1.064  -8.416
  275    HA   CYS  34           HA       CYS  34  13.807  -1.211  -5.776
  276   1HB   CYS  34          1HB       CYS  34  11.032  -0.180  -6.094
  277   2HB   CYS  34          2HB       CYS  34  12.308   0.346  -5.000
  278    H    GLY  35           H        GLY  35  13.502  -2.994  -4.628
  279   1HA   GLY  35          1HA       GLY  35  12.538  -4.885  -3.758
  280   2HA   GLY  35          2HA       GLY  35  10.987  -4.168  -4.164
  281    H    LYS  36           H        LYS  36   9.854  -5.708  -5.160
  282    HA   LYS  36           HA       LYS  36  11.154  -7.145  -7.381
  283   1HB   LYS  36          1HB       LYS  36   8.775  -8.262  -5.943
  284   2HB   LYS  36          2HB       LYS  36  10.019  -9.106  -6.853
  285   1HG   LYS  36          1HG       LYS  36  11.083  -7.726  -4.529
  286   2HG   LYS  36          2HG       LYS  36   9.848  -8.918  -4.119
  287   1HD   LYS  36          1HD       LYS  36  11.609 -10.007  -6.096
  288   2HD   LYS  36          2HD       LYS  36  12.553  -9.376  -4.745
  289   1HE   LYS  36          1HE       LYS  36  12.090 -11.594  -4.156
  290   2HE   LYS  36          2HE       LYS  36  10.927 -10.636  -3.240
  291   1HZ   LYS  36          1HZ       LYS  36   9.836 -11.310  -5.751
  292   2HZ   LYS  36          2HZ       LYS  36  10.395 -12.715  -4.996
  293   3HZ   LYS  36          3HZ       LYS  36   9.277 -11.720  -4.209
  294    H    ARG  37           H        ARG  37   9.467  -8.013  -8.974
  295    HA   ARG  37           HA       ARG  37   8.044  -5.794 -10.032
  296   1HB   ARG  37          1HB       ARG  37   9.022  -8.141 -11.059
  297   2HB   ARG  37          2HB       ARG  37   7.288  -8.440 -11.057
  298   1HG   ARG  37          1HG       ARG  37   6.890  -6.937 -12.688
  299   2HG   ARG  37          2HG       ARG  37   8.145  -5.830 -12.126
  300   1HD   ARG  37          1HD       ARG  37   8.363  -7.243 -14.381
  301   2HD   ARG  37          2HD       ARG  37   9.754  -6.796 -13.396
  302    HE   ARG  37           HE       ARG  37  10.076  -9.008 -12.951
  303   1HH1  ARG  37          1HH1      ARG  37   6.784  -8.553 -13.993
  304   2HH1  ARG  37          2HH1      ARG  37   6.421 -10.248 -14.014
  305   1HH2  ARG  37          1HH2      ARG  37   9.609 -11.240 -12.978
  306   2HH2  ARG  37          2HH2      ARG  37   8.026 -11.775 -13.438
  307    H    ALA  38           H        ALA  38   6.574  -5.191  -8.391
  308    HA   ALA  38           HA       ALA  38   4.213  -6.942  -8.230
  309   1HB   ALA  38          1HB       ALA  38   5.567  -6.888  -6.111
  310   2HB   ALA  38          2HB       ALA  38   5.146  -5.181  -5.974
  311   3HB   ALA  38          3HB       ALA  38   3.880  -6.407  -5.942
  312    H    ILE  39           H        ILE  39   2.713  -5.071  -6.661
  313    HA   ILE  39           HA       ILE  39   2.449  -2.791  -8.501
  314    HB   ILE  39           HB       ILE  39   0.234  -4.586  -7.519
  315   1HG1  ILE  39          1HG1      ILE  39   1.647  -5.006  -9.680
  316   2HG1  ILE  39          2HG1      ILE  39  -0.106  -5.157  -9.746
  317   1HG2  ILE  39          1HG2      ILE  39   0.126  -1.802  -8.625
  318   2HG2  ILE  39          2HG2      ILE  39  -1.221  -2.924  -8.832
  319   3HG2  ILE  39          3HG2      ILE  39  -0.691  -2.469  -7.212
  320   1HD1  ILE  39          1HD1      ILE  39  -0.140  -2.761 -10.552
  321   2HD1  ILE  39          2HD1      ILE  39   1.606  -2.912 -10.756
  322   3HD1  ILE  39          3HD1      ILE  39   0.517  -3.960 -11.664
  323    H    ILE  40           H        ILE  40   1.463  -0.917  -7.608
  324    HA   ILE  40           HA       ILE  40   1.666  -0.799  -4.674
  325    HB   ILE  40           HB       ILE  40   1.773   1.551  -6.560
  326   1HG1  ILE  40          1HG1      ILE  40   3.612  -0.169  -6.928
  327   2HG1  ILE  40          2HG1      ILE  40   4.146   1.462  -6.531
  328   1HG2  ILE  40          1HG2      ILE  40   1.956   1.165  -3.654
  329   2HG2  ILE  40          2HG2      ILE  40   3.175   2.234  -4.346
  330   3HG2  ILE  40          3HG2      ILE  40   1.462   2.579  -4.586
  331   1HD1  ILE  40          1HD1      ILE  40   3.900   0.153  -4.083
  332   2HD1  ILE  40          2HD1      ILE  40   4.656  -1.010  -5.170
  333   3HD1  ILE  40          3HD1      ILE  40   5.386   0.576  -4.931
  334    H    LEU  41           H        LEU  41  -0.070  -0.261  -3.488
  335    HA   LEU  41           HA       LEU  41  -2.476   0.647  -4.925
  336   1HB   LEU  41          1HB       LEU  41  -2.181  -1.200  -2.567
  337   2HB   LEU  41          2HB       LEU  41  -3.710  -0.444  -2.978
  338    HG   LEU  41           HG       LEU  41  -2.142  -2.371  -4.692
  339   1HD1  LEU  41          1HD1      LEU  41  -4.548  -2.583  -2.951
  340   2HD1  LEU  41          2HD1      LEU  41  -4.465  -3.559  -4.419
  341   3HD1  LEU  41          3HD1      LEU  41  -3.216  -3.716  -3.184
  342   1HD2  LEU  41          1HD2      LEU  41  -4.294  -0.472  -5.329
  343   2HD2  LEU  41          2HD2      LEU  41  -3.105  -1.241  -6.382
  344   3HD2  LEU  41          3HD2      LEU  41  -4.553  -2.123  -5.892
  345    H    GLU  42           H        GLU  42  -3.144   2.614  -4.425
  346    HA   GLU  42           HA       GLU  42  -2.327   3.769  -1.845
  347   1HB   GLU  42          1HB       GLU  42  -1.472   4.870  -3.930
  348   2HB   GLU  42          2HB       GLU  42  -3.136   5.256  -4.344
  349   1HG   GLU  42          1HG       GLU  42  -3.345   6.595  -2.326
  350   2HG   GLU  42          2HG       GLU  42  -1.692   6.182  -1.871
  351    H    THR  43           H        THR  43  -3.867   4.210  -0.393
  352    HA   THR  43           HA       THR  43  -6.665   4.132  -1.298
  353    HB   THR  43           HB       THR  43  -7.286   3.482   0.896
  354    HG1  THR  43           HG1      THR  43  -5.646   3.422   2.570
  355   1HG2  THR  43          1HG2      THR  43  -4.890   2.092  -0.157
  356   2HG2  THR  43          2HG2      THR  43  -5.438   1.692   1.471
  357   3HG2  THR  43          3HG2      THR  43  -6.530   1.497   0.100
  358    H    ARG  44           H        ARG  44  -8.194   5.555  -0.125
  359    HA   ARG  44           HA       ARG  44  -7.564   8.238  -0.443
  360   1HB   ARG  44          1HB       ARG  44  -9.636   8.655   0.934
  361   2HB   ARG  44          2HB       ARG  44  -9.851   7.595  -0.451
  362   1HG   ARG  44          1HG       ARG  44 -10.045   5.692   0.884
  363   2HG   ARG  44          2HG       ARG  44  -9.326   6.491   2.283
  364   1HD   ARG  44          1HD       ARG  44 -11.335   7.109   2.994
  365   2HD   ARG  44          2HD       ARG  44 -11.639   7.949   1.475
  366    HE   ARG  44           HE       ARG  44 -12.049   5.171   1.156
  367   1HH1  ARG  44          1HH1      ARG  44 -13.485   7.998   2.597
  368   2HH1  ARG  44          2HH1      ARG  44 -15.105   7.394   2.484
  369   1HH2  ARG  44          1HH2      ARG  44 -14.177   4.364   1.003
  370   2HH2  ARG  44          2HH2      ARG  44 -15.497   5.326   1.577
  371    H    GLN  45           H        GLN  45  -6.717   6.148   2.104
  372    HA   GLN  45           HA       GLN  45  -6.227   8.396   3.928
  373   1HB   GLN  45          1HB       GLN  45  -7.176   5.766   4.347
  374   2HB   GLN  45          2HB       GLN  45  -5.579   5.844   5.078
  375   1HG   GLN  45          1HG       GLN  45  -6.957   6.475   6.812
  376   2HG   GLN  45          2HG       GLN  45  -6.438   8.028   6.157
  377   1HE2  GLN  45          2HE2      GLN  45  -9.010   5.622   5.719
  378   2HE2  GLN  45          1HE2      GLN  45 -10.285   6.770   5.521
  379    H    HIS  46           H        HIS  46  -4.608   8.016   1.614
  380    HA   HIS  46           HA       HIS  46  -2.440   7.825   0.935
  381   1HB   HIS  46          1HB       HIS  46  -1.998   8.642   3.813
  382   2HB   HIS  46          2HB       HIS  46  -0.772   8.700   2.551
  383    HD1  HIS  46           HD1      HIS  46  -1.709  10.221   0.354
  384    HD2  HIS  46           HD2      HIS  46  -3.180  11.033   4.154
  385    HE1  HIS  46           HE1      HIS  46  -2.629  12.557   0.232
  386    HE2  HIS  46           HE2      HIS  46  -3.409  13.068   2.572
  387    H    ARG  47           H        ARG  47  -3.406   5.357   1.353
  388    HA   ARG  47           HA       ARG  47  -1.385   3.955   2.963
  389   1HB   ARG  47          1HB       ARG  47  -3.820   3.499   3.391
  390   2HB   ARG  47          2HB       ARG  47  -3.912   2.813   1.774
  391   1HG   ARG  47          1HG       ARG  47  -1.740   1.563   2.994
  392   2HG   ARG  47          2HG       ARG  47  -3.016   1.607   4.212
  393   1HD   ARG  47          1HD       ARG  47  -3.790   0.816   1.464
  394   2HD   ARG  47          2HD       ARG  47  -2.816  -0.332   2.382
  395    HE   ARG  47           HE       ARG  47  -5.558   0.425   2.887
  396   1HH1  ARG  47          1HH1      ARG  47  -2.661  -1.030   4.161
  397   2HH1  ARG  47          2HH1      ARG  47  -3.494  -1.921   5.390
  398   1HH2  ARG  47          1HH2      ARG  47  -6.665  -0.742   4.503
  399   2HH2  ARG  47          2HH2      ARG  47  -5.771  -1.758   5.585
  400    H    LEU  48           H        LEU  48   0.366   3.634   1.721
  401    HA   LEU  48           HA       LEU  48  -0.027   2.561  -0.991
  402   1HB   LEU  48          1HB       LEU  48   2.389   3.884   0.243
  403   2HB   LEU  48          2HB       LEU  48   2.320   3.245  -1.388
  404    HG   LEU  48           HG       LEU  48   0.539   5.464  -0.386
  405   1HD1  LEU  48          1HD1      LEU  48   3.204   5.725  -0.657
  406   2HD1  LEU  48          2HD1      LEU  48   2.689   6.046  -2.313
  407   3HD1  LEU  48          3HD1      LEU  48   2.052   7.020  -0.987
  408   1HD2  LEU  48          1HD2      LEU  48  -0.295   4.128  -2.299
  409   2HD2  LEU  48          2HD2      LEU  48   0.029   5.812  -2.712
  410   3HD2  LEU  48          3HD2      LEU  48   1.167   4.552  -3.190
  411    H    PHE  49           H        PHE  49  -0.114   0.393  -0.816
  412    HA   PHE  49           HA       PHE  49   2.029  -0.939   0.708
  413   1HB   PHE  49          1HB       PHE  49  -0.844  -1.674   0.244
  414   2HB   PHE  49          2HB       PHE  49   0.343  -2.928   0.583
  415    HD1  PHE  49           HD1      PHE  49  -0.430   0.473   1.932
  416    HD2  PHE  49           HD2      PHE  49   0.341  -3.639   2.759
  417    HE1  PHE  49           HE1      PHE  49  -0.656   0.921   4.344
  418    HE2  PHE  49           HE2      PHE  49   0.117  -3.198   5.174
  419    HZ   PHE  49           HZ       PHE  49  -0.381  -0.917   5.970
  420    H    CYS  50           H        CYS  50   2.711  -3.057  -0.167
  421    HA   CYS  50           HA       CYS  50   2.821  -2.939  -3.101
  422   1HB   CYS  50          1HB       CYS  50   4.726  -3.834  -0.997
  423   2HB   CYS  50          2HB       CYS  50   4.758  -4.691  -2.534
  424    H    ALA  51           H        ALA  51   1.075  -4.090  -3.770
  425    HA   ALA  51           HA       ALA  51   0.720  -6.803  -2.695
  426   1HB   ALA  51          1HB       ALA  51  -1.176  -4.992  -4.179
  427   2HB   ALA  51          2HB       ALA  51  -1.528  -6.677  -3.795
  428   3HB   ALA  51          3HB       ALA  51  -1.276  -5.512  -2.496
  429    H    ASP  52           H        ASP  52   1.180  -8.522  -3.911
  430    HA   ASP  52           HA       ASP  52   2.443  -8.264  -6.421
  431   1HB   ASP  52          1HB       ASP  52   1.931 -10.350  -4.531
  432   2HB   ASP  52          2HB       ASP  52   1.481 -10.921  -6.135
  433    HA   PRO  53           HA       PRO  53  -1.040  -8.004  -9.130
  434   1HB   PRO  53          1HB       PRO  53   0.180  -8.806 -11.424
  435   2HB   PRO  53          2HB       PRO  53   0.391  -7.198 -10.722
  436   1HG   PRO  53          1HG       PRO  53   2.160  -9.601 -10.522
  437   2HG   PRO  53          2HG       PRO  53   2.603  -7.908 -10.799
  438   1HD   PRO  53          1HD       PRO  53   2.837  -9.071  -8.379
  439   2HD   PRO  53          2HD       PRO  53   2.403  -7.358  -8.564
  440    H    LYS  54           H        LYS  54   0.444 -10.857  -8.176
  441    HA   LYS  54           HA       LYS  54  -0.970 -12.643  -9.940
  442   1HB   LYS  54          1HB       LYS  54   0.535 -13.232  -7.386
  443   2HB   LYS  54          2HB       LYS  54  -0.020 -14.425  -8.552
  444   1HG   LYS  54          1HG       LYS  54   1.562 -12.447  -9.884
  445   2HG   LYS  54          2HG       LYS  54   2.442 -13.083  -8.492
  446   1HD   LYS  54          1HD       LYS  54   2.924 -14.919  -9.650
  447   2HD   LYS  54          2HD       LYS  54   1.200 -15.272  -9.792
  448   1HE   LYS  54          1HE       LYS  54   1.328 -13.484 -11.717
  449   2HE   LYS  54          2HE       LYS  54   3.034 -13.930 -11.721
  450   1HZ   LYS  54          1HZ       LYS  54   0.957 -16.017 -11.819
  451   2HZ   LYS  54          2HZ       LYS  54   1.405 -15.200 -13.230
  452   3HZ   LYS  54          3HZ       LYS  54   2.559 -16.080 -12.361
  453    H    GLU  55           H        GLU  55  -1.567 -11.105  -6.907
  454    HA   GLU  55           HA       GLU  55  -3.555 -12.951  -5.989
  455   1HB   GLU  55          1HB       GLU  55  -3.284 -10.078  -5.124
  456   2HB   GLU  55          2HB       GLU  55  -3.935 -11.430  -4.208
  457   1HG   GLU  55          1HG       GLU  55  -1.933 -12.010  -3.437
  458   2HG   GLU  55          2HG       GLU  55  -1.183 -11.862  -5.026
  459    H    GLN  56           H        GLN  56  -5.711 -12.953  -6.314
  460    HA   GLN  56           HA       GLN  56  -6.808 -11.648  -8.536
  461   1HB   GLN  56          1HB       GLN  56  -7.612 -13.783  -7.394
  462   2HB   GLN  56          2HB       GLN  56  -8.428 -12.735  -6.242
  463   1HG   GLN  56          1HG       GLN  56  -8.936 -12.997  -9.190
  464   2HG   GLN  56          2HG       GLN  56 -10.032 -13.355  -7.857
  465   1HE2  GLN  56          2HE2      GLN  56  -8.786 -10.950  -9.952
  466   2HE2  GLN  56          1HE2      GLN  56  -9.737  -9.626  -9.374
  467    H    TRP  57           H        TRP  57  -7.201 -10.963  -5.061
  468    HA   TRP  57           HA       TRP  57  -9.041  -8.921  -5.215
  469   1HB   TRP  57          1HB       TRP  57  -8.456  -8.355  -3.043
  470   2HB   TRP  57          2HB       TRP  57  -7.886 -10.016  -3.154
  471    HD1  TRP  57           HD1      TRP  57  -5.203 -10.372  -3.340
  472    HE1  TRP  57           HE1      TRP  57  -3.255  -8.892  -2.541
  473    HE3  TRP  57           HE3      TRP  57  -7.733  -5.969  -2.722
  474    HZ2  TRP  57           HZ2      TRP  57  -2.845  -6.208  -1.749
  475    HZ3  TRP  57           HZ3      TRP  57  -6.493  -3.990  -1.936
  476    HH2  TRP  57           HH2      TRP  57  -4.096  -4.109  -1.460
  477    H    VAL  58           H        VAL  58  -5.802  -8.925  -6.342
  478    HA   VAL  58           HA       VAL  58  -5.595  -6.026  -6.405
  479    HB   VAL  58           HB       VAL  58  -3.731  -8.190  -7.385
  480   1HG1  VAL  58          1HG1      VAL  58  -3.874  -5.478  -8.197
  481   2HG1  VAL  58          2HG1      VAL  58  -2.445  -5.664  -7.180
  482   3HG1  VAL  58          3HG1      VAL  58  -2.652  -6.684  -8.605
  483   1HG2  VAL  58          1HG2      VAL  58  -3.894  -7.974  -4.950
  484   2HG2  VAL  58          2HG2      VAL  58  -2.310  -7.469  -5.540
  485   3HG2  VAL  58          3HG2      VAL  58  -3.506  -6.258  -5.078
  486    H    LYS  59           H        LYS  59  -6.103  -8.726  -8.609
  487    HA   LYS  59           HA       LYS  59  -5.978  -7.206 -11.007
  488   1HB   LYS  59          1HB       LYS  59  -7.596  -9.721 -10.698
  489   2HB   LYS  59          2HB       LYS  59  -6.719  -9.149 -12.109
  490   1HG   LYS  59          1HG       LYS  59  -4.602  -9.514 -10.768
  491   2HG   LYS  59          2HG       LYS  59  -5.615 -10.388  -9.619
  492   1HD   LYS  59          1HD       LYS  59  -5.718 -12.184 -10.921
  493   2HD   LYS  59          2HD       LYS  59  -6.112 -11.216 -12.338
  494   1HE   LYS  59          1HE       LYS  59  -4.012 -11.268 -13.097
  495   2HE   LYS  59          2HE       LYS  59  -3.345 -10.919 -11.504
  496   1HZ   LYS  59          1HZ       LYS  59  -4.344 -13.599 -12.272
  497   2HZ   LYS  59          2HZ       LYS  59  -2.733 -13.128 -12.480
  498   3HZ   LYS  59          3HZ       LYS  59  -3.403 -13.191 -10.927
  499    H    ASP  60           H        ASP  60  -8.615  -8.252  -8.897
  500    HA   ASP  60           HA       ASP  60 -10.663  -7.055 -10.504
  501   1HB   ASP  60          1HB       ASP  60 -10.522  -8.599  -8.015
  502   2HB   ASP  60          2HB       ASP  60 -11.765  -7.352  -7.996
  503    H    ALA  61           H        ALA  61  -8.923  -6.198  -7.547
  504    HA   ALA  61           HA       ALA  61 -10.320  -3.933  -6.833
  505   1HB   ALA  61          1HB       ALA  61  -7.399  -4.595  -6.558
  506   2HB   ALA  61          2HB       ALA  61  -8.121  -3.147  -5.855
  507   3HB   ALA  61          3HB       ALA  61  -8.670  -4.743  -5.344
  508    H    MET  62           H        MET  62  -7.652  -4.263  -9.136
  509    HA   MET  62           HA       MET  62  -7.539  -1.493  -9.788
  510   1HB   MET  62          1HB       MET  62  -6.444  -3.976 -11.091
  511   2HB   MET  62          2HB       MET  62  -6.254  -2.391 -11.826
  512   1HG   MET  62          1HG       MET  62  -5.346  -1.814  -9.394
  513   2HG   MET  62          2HG       MET  62  -4.976  -3.539  -9.419
  514   1HE   MET  62          1HE       MET  62  -4.542  -4.294 -12.050
  515   2HE   MET  62          2HE       MET  62  -3.195  -3.609 -12.962
  516   3HE   MET  62          3HE       MET  62  -2.888  -4.530 -11.489
  517    H    GLN  63           H        GLN  63  -8.823  -4.324 -11.532
  518    HA   GLN  63           HA       GLN  63  -9.830  -3.135 -13.770
  519   1HB   GLN  63          1HB       GLN  63 -10.296  -5.564 -12.348
  520   2HB   GLN  63          2HB       GLN  63 -11.856  -4.904 -12.816
  521   1HG   GLN  63          1HG       GLN  63 -10.128  -4.679 -15.045
  522   2HG   GLN  63          2HG       GLN  63  -9.967  -6.311 -14.397
  523   1HE2  GLN  63          2HE2      GLN  63 -11.163  -7.611 -15.586
  524   2HE2  GLN  63          1HE2      GLN  63 -12.795  -7.324 -16.078
  525    H    HIS  64           H        HIS  64 -10.994  -2.896 -10.502
  526    HA   HIS  64           HA       HIS  64 -13.500  -1.686 -11.170
  527   1HB   HIS  64          1HB       HIS  64 -13.533  -2.763  -9.094
  528   2HB   HIS  64          2HB       HIS  64 -11.969  -2.107  -8.623
  529    HD1  HIS  64           HD1      HIS  64 -15.577  -1.054  -9.010
  530    HD2  HIS  64           HD2      HIS  64 -12.068   0.231  -7.194
  531    HE1  HIS  64           HE1      HIS  64 -16.246   0.884  -7.554
  532    HE2  HIS  64           HE2      HIS  64 -14.090   1.706  -6.541
  533    H    LEU  65           H        LEU  65 -10.519  -0.449  -9.668
  534    HA   LEU  65           HA       LEU  65 -11.225   2.245  -9.642
  535   1HB   LEU  65          1HB       LEU  65  -8.533   0.906  -9.838
  536   2HB   LEU  65          2HB       LEU  65  -8.724   2.637  -9.648
  537    HG   LEU  65           HG       LEU  65  -9.734   0.574  -7.691
  538   1HD1  LEU  65          1HD1      LEU  65  -7.117   1.714  -8.082
  539   2HD1  LEU  65          2HD1      LEU  65  -7.771   2.151  -6.503
  540   3HD1  LEU  65          3HD1      LEU  65  -7.640   0.454  -6.966
  541   1HD2  LEU  65          1HD2      LEU  65 -10.696   3.069  -8.035
  542   2HD2  LEU  65          2HD2      LEU  65 -10.637   2.245  -6.478
  543   3HD2  LEU  65          3HD2      LEU  65  -9.372   3.392  -6.916
  544    H    ASP  66           H        ASP  66 -10.125   0.225 -12.239
  545    HA   ASP  66           HA       ASP  66  -9.300   2.314 -13.991
  546   1HB   ASP  66          1HB       ASP  66  -9.888  -0.606 -14.293
  547   2HB   ASP  66          2HB       ASP  66  -9.740   0.392 -15.736
  548    H    ARG  67           H        ARG  67 -12.212   0.252 -13.941
  549    HA   ARG  67           HA       ARG  67 -13.670   1.169 -15.990
  550   1HB   ARG  67          1HB       ARG  67 -14.263  -0.035 -13.484
  551   2HB   ARG  67          2HB       ARG  67 -15.439   1.246 -13.746
  552   1HG   ARG  67          1HG       ARG  67 -16.467  -0.573 -14.711
  553   2HG   ARG  67          2HG       ARG  67 -15.692   0.192 -16.099
  554   1HD   ARG  67          1HD       ARG  67 -13.763  -1.364 -15.776
  555   2HD   ARG  67          2HD       ARG  67 -14.713  -2.198 -14.549
  556    HE   ARG  67           HE       ARG  67 -15.830  -3.251 -16.230
  557   1HH1  ARG  67          1HH1      ARG  67 -14.432  -0.325 -17.498
  558   2HH1  ARG  67          2HH1      ARG  67 -14.918  -0.645 -19.130
  559   1HH2  ARG  67          1HH2      ARG  67 -16.477  -3.684 -18.375
  560   2HH2  ARG  67          2HH2      ARG  67 -16.082  -2.555 -19.628
  561    H    GLN  68           H        GLN  68 -13.967   2.726 -12.791
  562    HA   GLN  68           HA       GLN  68 -15.423   4.926 -13.491
  563   1HB   GLN  68          1HB       GLN  68 -13.151   4.769 -11.504
  564   2HB   GLN  68          2HB       GLN  68 -14.291   6.104 -11.598
  565   1HG   GLN  68          1HG       GLN  68 -15.884   4.979 -10.517
  566   2HG   GLN  68          2HG       GLN  68 -15.563   3.485 -11.397
  567   1HE2  GLN  68          2HE2      GLN  68 -14.110   2.009 -10.573
  568   2HE2  GLN  68          1HE2      GLN  68 -13.514   2.091  -8.954
  569    H    ALA  69           H        ALA  69 -11.925   5.272 -12.958
  570    HA   ALA  69           HA       ALA  69 -11.550   7.657 -14.237
  571   1HB   ALA  69          1HB       ALA  69  -9.869   5.483 -13.367
  572   2HB   ALA  69          2HB       ALA  69  -9.247   6.209 -14.849
  573   3HB   ALA  69          3HB       ALA  69  -9.529   7.213 -13.427
  574    H    ALA  70           H        ALA  70 -11.399   4.428 -15.712
  575    HA   ALA  70           HA       ALA  70 -10.651   5.144 -18.280
  576   1HB   ALA  70          1HB       ALA  70 -12.267   2.881 -17.184
  577   2HB   ALA  70          2HB       ALA  70 -12.068   3.066 -18.926
  578   3HB   ALA  70          3HB       ALA  70 -10.652   2.866 -17.894
  579    H    ALA  71           H        ALA  71 -13.793   5.342 -16.735
  580    HA   ALA  71           HA       ALA  71 -15.408   5.683 -18.972
  581   1HB   ALA  71          1HB       ALA  71 -15.955   5.498 -16.401
  582   2HB   ALA  71          2HB       ALA  71 -16.004   7.258 -16.523
  583   3HB   ALA  71          3HB       ALA  71 -17.072   6.273 -17.523
  584    H    LEU  72           H        LEU  72 -12.983   7.703 -17.743
  585    HA   LEU  72           HA       LEU  72 -14.080  10.159 -18.828
  586   1HB   LEU  72          1HB       LEU  72 -11.933   9.422 -17.026
  587   2HB   LEU  72          2HB       LEU  72 -11.390  10.579 -18.225
  588    HG   LEU  72           HG       LEU  72 -12.173  11.645 -16.136
  589   1HD1  LEU  72          1HD1      LEU  72 -13.142  12.219 -18.821
  590   2HD1  LEU  72          2HD1      LEU  72 -14.155  12.911 -17.554
  591   3HD1  LEU  72          3HD1      LEU  72 -12.435  13.295 -17.615
  592   1HD2  LEU  72          1HD2      LEU  72 -14.662  10.155 -16.829
  593   2HD2  LEU  72          2HD2      LEU  72 -13.878  10.373 -15.264
  594   3HD2  LEU  72          3HD2      LEU  72 -14.779  11.703 -15.992
  595    H    THR  73           H        THR  73 -11.891   7.633 -19.764
  596    HA   THR  73           HA       THR  73 -11.908   8.298 -22.470
  597    HB   THR  73           HB       THR  73 -10.478  10.031 -22.531
  598    HG1  THR  73           HG1      THR  73  -8.443   9.408 -22.863
  599   1HG2  THR  73          1HG2      THR  73  -9.824   9.269 -19.734
  600   2HG2  THR  73          2HG2      THR  73  -8.732  10.340 -20.614
  601   3HG2  THR  73          3HG2      THR  73 -10.420  10.798 -20.383
  602    H    ARG  74           H        ARG  74  -9.413   7.204 -20.160
  603    HA   ARG  74           HA       ARG  74  -9.689   4.476 -20.667
  604   1HB   ARG  74          1HB       ARG  74  -8.730   5.558 -22.915
  605   2HB   ARG  74          2HB       ARG  74  -7.211   5.353 -22.055
  606   1HG   ARG  74          1HG       ARG  74  -7.363   3.385 -23.229
  607   2HG   ARG  74          2HG       ARG  74  -8.058   2.927 -21.672
  608   1HD   ARG  74          1HD       ARG  74 -10.196   3.925 -23.160
  609   2HD   ARG  74          2HD       ARG  74  -9.265   2.949 -24.294
  610    HE   ARG  74           HE       ARG  74  -9.645   1.568 -21.847
  611   1HH1  ARG  74          1HH1      ARG  74 -11.290   2.516 -24.765
  612   2HH1  ARG  74          2HH1      ARG  74 -12.406   1.192 -24.721
  613   1HH2  ARG  74          1HH2      ARG  74 -11.109  -0.180 -21.779
  614   2HH2  ARG  74          2HH2      ARG  74 -12.302  -0.341 -23.023
  615    H    ASN  75           H        ASN  75  -8.835   3.549 -18.929
  616    HA   ASN  75           HA       ASN  75  -6.409   4.736 -17.753
  617   1HB   ASN  75          1HB       ASN  75  -8.520   5.223 -16.452
  618   2HB   ASN  75          2HB       ASN  75  -8.651   3.492 -16.158
  619   1HD2  ASN  75          2HD2      ASN  75  -8.543   4.101 -13.912
  620   2HD2  ASN  75          1HD2      ASN  75  -7.002   4.363 -13.175
  621    H    GLY  76           H        GLY  76  -7.247   2.268 -19.489
  622   1HA   GLY  76          1HA       GLY  76  -5.200   0.584 -19.054
  623   2HA   GLY  76          2HA       GLY  76  -6.344   0.072 -17.822
  Start of MODEL    8
    1   2H    MET   0          2H        MET   0  20.684   8.584  -3.360
    2   3H    MET   0          3H        MET   0  20.091   6.985  -3.537
    3   1H    MET   0          1H        MET   0  19.900   7.808  -2.044
    4    HA   MET   0           HA       MET   0  21.768   6.063  -2.441
    5   1HB   MET   0          1HB       MET   0  22.466   7.779  -4.352
    6   2HB   MET   0          2HB       MET   0  23.294   8.563  -3.013
    7   1HG   MET   0          1HG       MET   0  23.784   5.714  -3.055
    8   2HG   MET   0          2HG       MET   0  24.244   6.485  -4.572
    9   1HE   MET   0          1HE       MET   0  25.471   8.404  -4.836
   10   2HE   MET   0          2HE       MET   0  26.099   9.434  -3.549
   11   3HE   MET   0          3HE       MET   0  27.134   8.208  -4.281
   12    H    GLN   1           H        GLN   1  21.856   9.509  -1.518
   13    HA   GLN   1           HA       GLN   1  22.646  10.504   0.401
   14   1HB   GLN   1          1HB       GLN   1  20.311   8.937   0.862
   15   2HB   GLN   1          2HB       GLN   1  21.321   8.836   2.297
   16   1HG   GLN   1          1HG       GLN   1  19.915  10.661   2.671
   17   2HG   GLN   1          2HG       GLN   1  21.459  11.369   2.195
   18   1HE2  GLN   1          2HE2      GLN   1  21.462  12.793   0.597
   19   2HE2  GLN   1          1HE2      GLN   1  20.152  13.089  -0.493
   20    H    HIS   2           H        HIS   2  24.627   8.901  -0.425
   21    HA   HIS   2           HA       HIS   2  26.392   7.577   0.186
   22   1HB   HIS   2          1HB       HIS   2  25.915   9.123   2.742
   23   2HB   HIS   2          2HB       HIS   2  27.384   8.224   2.374
   24    HD1  HIS   2           HD1      HIS   2  28.981   9.231   0.599
   25    HD2  HIS   2           HD2      HIS   2  25.654  11.577   1.433
   26    HE1  HIS   2           HE1      HIS   2  29.469  11.477  -0.420
   27    HE2  HIS   2           HE2      HIS   2  27.483  12.906   0.178
   28    H    HIS   3           H        HIS   3  24.724   5.756   0.068
   29    HA   HIS   3           HA       HIS   3  25.252   3.890   2.069
   30   1HB   HIS   3          1HB       HIS   3  22.875   5.578   2.535
   31   2HB   HIS   3          2HB       HIS   3  22.608   3.843   2.694
   32    HD1  HIS   3           HD1      HIS   3  25.013   2.857   4.127
   33    HD2  HIS   3           HD2      HIS   3  23.249   6.506   5.038
   34    HE1  HIS   3           HE1      HIS   3  25.731   3.381   6.480
   35    HE2  HIS   3           HE2      HIS   3  24.701   5.623   6.989
   36    H    GLY   4           H        GLY   4  25.628   2.721   0.145
   37   1HA   GLY   4          1HA       GLY   4  24.995   1.001  -1.270
   38   2HA   GLY   4          2HA       GLY   4  23.329   1.249  -0.766
   39    H    VAL   5           H        VAL   5  23.062   0.793  -3.143
   40    HA   VAL   5           HA       VAL   5  23.235   3.325  -4.643
   41    HB   VAL   5           HB       VAL   5  24.805   1.785  -5.630
   42   1HG1  VAL   5          1HG1      VAL   5  23.797  -0.286  -4.739
   43   2HG1  VAL   5          2HG1      VAL   5  22.513  -0.149  -5.940
   44   3HG1  VAL   5          3HG1      VAL   5  24.181  -0.398  -6.456
   45   1HG2  VAL   5          1HG2      VAL   5  22.630   2.935  -6.997
   46   2HG2  VAL   5          2HG2      VAL   5  24.221   2.528  -7.638
   47   3HG2  VAL   5          3HG2      VAL   5  22.908   1.353  -7.728
   48    H    THR   6           H        THR   6  21.038   2.967  -3.160
   49    HA   THR   6           HA       THR   6  18.989   2.318  -5.163
   50    HB   THR   6           HB       THR   6  17.871   1.807  -2.619
   51    HG1  THR   6           HG1      THR   6  19.243   0.400  -1.692
   52   1HG2  THR   6          1HG2      THR   6  18.062   0.528  -5.122
   53   2HG2  THR   6          2HG2      THR   6  18.561  -0.637  -3.894
   54   3HG2  THR   6          3HG2      THR   6  16.988   0.151  -3.775
   55    H    LYS   7           H        LYS   7  16.779   3.203  -4.364
   56    HA   LYS   7           HA       LYS   7  16.538   5.295  -2.578
   57   1HB   LYS   7          1HB       LYS   7  16.615   7.271  -4.068
   58   2HB   LYS   7          2HB       LYS   7  18.185   6.504  -3.873
   59   1HG   LYS   7          1HG       LYS   7  18.301   5.869  -6.040
   60   2HG   LYS   7          2HG       LYS   7  16.560   5.624  -6.178
   61   1HD   LYS   7          1HD       LYS   7  16.986   8.381  -5.720
   62   2HD   LYS   7          2HD       LYS   7  18.124   7.877  -6.971
   63   1HE   LYS   7          1HE       LYS   7  16.206   8.485  -8.158
   64   2HE   LYS   7          2HE       LYS   7  16.115   6.727  -8.069
   65   1HZ   LYS   7          1HZ       LYS   7  14.817   7.595  -5.825
   66   2HZ   LYS   7          2HZ       LYS   7  14.325   8.688  -7.021
   67   3HZ   LYS   7          3HZ       LYS   7  14.090   7.028  -7.243
   68    H    CYS   8           H        CYS   8  14.909   3.262  -3.290
   69    HA   CYS   8           HA       CYS   8  12.834   4.364  -5.029
   70   1HB   CYS   8          1HB       CYS   8  13.492   1.651  -3.989
   71   2HB   CYS   8          2HB       CYS   8  11.807   2.000  -4.359
   72    H    ASN   9           H        ASN   9  11.568   5.786  -3.999
   73    HA   ASN   9           HA       ASN   9  11.073   6.246  -1.414
   74   1HB   ASN   9          1HB       ASN   9   8.992   7.238  -1.998
   75   2HB   ASN   9          2HB       ASN   9  10.021   7.401  -3.418
   76   1HD2  ASN   9          2HD2      ASN   9   9.830   5.465  -4.952
   77   2HD2  ASN   9          1HD2      ASN   9   8.220   4.942  -5.298
   78    H    ILE  10           H        ILE  10   9.558   3.674  -3.301
   79    HA   ILE  10           HA       ILE  10   8.790   2.374  -0.780
   80    HB   ILE  10           HB       ILE  10   6.777   3.420  -1.708
   81   1HG1  ILE  10          1HG1      ILE  10   6.387   0.514  -2.239
   82   2HG1  ILE  10          2HG1      ILE  10   6.974   0.990  -0.648
   83   1HG2  ILE  10          1HG2      ILE  10   7.419   3.416  -4.065
   84   2HG2  ILE  10          2HG2      ILE  10   7.275   1.660  -4.106
   85   3HG2  ILE  10          3HG2      ILE  10   5.846   2.654  -3.832
   86   1HD1  ILE  10          1HD1      ILE  10   4.494   2.108  -1.911
   87   2HD1  ILE  10          2HD1      ILE  10   4.510   0.722  -0.822
   88   3HD1  ILE  10          3HD1      ILE  10   5.042   2.302  -0.245
   89    H    THR  11           H        THR  11   9.639   0.409  -0.663
   90    HA   THR  11           HA       THR  11  10.401  -0.950  -3.154
   91    HB   THR  11           HB       THR  11  12.207  -0.486  -1.513
   92    HG1  THR  11           HG1      THR  11  13.127  -2.343  -1.964
   93   1HG2  THR  11          1HG2      THR  11  10.884  -0.762   0.553
   94   2HG2  THR  11          2HG2      THR  11  10.823  -2.498   0.242
   95   3HG2  THR  11          3HG2      THR  11  12.373  -1.709   0.540
   96    H    CYS  12           H        CYS  12   9.568  -2.891  -3.691
   97    HA   CYS  12           HA       CYS  12   7.378  -3.891  -2.052
   98   1HB   CYS  12          1HB       CYS  12   8.283  -4.656  -4.835
   99   2HB   CYS  12          2HB       CYS  12   6.856  -5.294  -4.026
  100    H    SER  13           H        SER  13   9.499  -4.417  -0.630
  101    HA   SER  13           HA       SER  13  10.793  -6.889  -1.281
  102   1HB   SER  13          1HB       SER  13  11.637  -4.953   0.244
  103   2HB   SER  13          2HB       SER  13  10.681  -5.744   1.496
  104    HG   SER  13           HG       SER  13  12.339  -7.002   1.720
  105    H    LYS  14           H        LYS  14   8.014  -5.924   0.618
  106    HA   LYS  14           HA       LYS  14   7.400  -8.768   1.055
  107   1HB   LYS  14          1HB       LYS  14   8.086  -7.868   3.186
  108   2HB   LYS  14          2HB       LYS  14   7.023  -6.484   2.994
  109   1HG   LYS  14          1HG       LYS  14   6.064  -8.051   4.551
  110   2HG   LYS  14          2HG       LYS  14   5.079  -7.983   3.088
  111   1HD   LYS  14          1HD       LYS  14   5.207 -10.223   3.153
  112   2HD   LYS  14          2HD       LYS  14   6.822  -9.982   2.481
  113   1HE   LYS  14          1HE       LYS  14   7.091 -11.441   4.320
  114   2HE   LYS  14          2HE       LYS  14   7.659  -9.861   4.860
  115   1HZ   LYS  14          1HZ       LYS  14   4.855 -10.405   5.347
  116   2HZ   LYS  14          2HZ       LYS  14   5.933 -11.371   6.222
  117   3HZ   LYS  14          3HZ       LYS  14   6.008  -9.687   6.351
  118    H    MET  15           H        MET  15   5.137  -9.281   1.179
  119    HA   MET  15           HA       MET  15   3.506  -7.411  -0.390
  120   1HB   MET  15          1HB       MET  15   3.072 -10.358   0.128
  121   2HB   MET  15          2HB       MET  15   2.115  -9.344  -0.942
  122   1HG   MET  15          1HG       MET  15   5.052  -9.878  -1.306
  123   2HG   MET  15          2HG       MET  15   3.769 -10.793  -2.095
  124   1HE   MET  15          1HE       MET  15   6.144  -9.401  -3.587
  125   2HE   MET  15          2HE       MET  15   5.833  -7.801  -4.262
  126   3HE   MET  15          3HE       MET  15   6.229  -7.975  -2.552
  127    H    THR  16           H        THR  16   1.192  -7.276   0.126
  128    HA   THR  16           HA       THR  16   0.782  -7.322   3.039
  129    HB   THR  16           HB       THR  16   0.651  -5.142   1.636
  130    HG1  THR  16           HG1      THR  16  -0.017  -4.997   3.692
  131   1HG2  THR  16          1HG2      THR  16  -1.019  -6.307   0.019
  132   2HG2  THR  16          2HG2      THR  16  -2.204  -5.889   1.255
  133   3HG2  THR  16          3HG2      THR  16  -1.256  -4.621   0.479
  134    H    SER  17           H        SER  17  -1.933  -7.087   3.175
  135    HA   SER  17           HA       SER  17  -2.807  -9.705   2.167
  136   1HB   SER  17          1HB       SER  17  -4.691  -9.108   3.992
  137   2HB   SER  17          2HB       SER  17  -3.175  -9.904   4.412
  138    HG   SER  17           HG       SER  17  -4.078  -7.410   5.063
  139    H    LYS  18           H        LYS  18  -5.429  -9.654   2.176
  140    HA   LYS  18           HA       LYS  18  -6.092  -8.032  -0.074
  141   1HB   LYS  18          1HB       LYS  18  -7.097 -10.178   0.020
  142   2HB   LYS  18          2HB       LYS  18  -7.683  -9.915   1.657
  143   1HG   LYS  18          1HG       LYS  18  -9.459  -8.648   0.968
  144   2HG   LYS  18          2HG       LYS  18  -8.647  -8.116  -0.505
  145   1HD   LYS  18          1HD       LYS  18  -9.287  -9.945  -1.684
  146   2HD   LYS  18          2HD       LYS  18  -9.209 -11.009  -0.280
  147   1HE   LYS  18          1HE       LYS  18 -11.271  -9.531   0.486
  148   2HE   LYS  18          2HE       LYS  18 -11.436  -9.305  -1.255
  149   1HZ   LYS  18          1HZ       LYS  18 -11.184 -11.883  -1.267
  150   2HZ   LYS  18          2HZ       LYS  18 -11.711 -11.757   0.335
  151   3HZ   LYS  18          3HZ       LYS  18 -12.682 -11.177  -0.923
  152    H    ILE  19           H        ILE  19  -7.274  -6.199  -0.206
  153    HA   ILE  19           HA       ILE  19  -8.448  -5.111   2.260
  154    HB   ILE  19           HB       ILE  19  -6.950  -3.358   0.329
  155   1HG1  ILE  19          1HG1      ILE  19  -5.832  -4.389   2.935
  156   2HG1  ILE  19          2HG1      ILE  19  -5.473  -5.144   1.384
  157   1HG2  ILE  19          1HG2      ILE  19  -8.650  -2.376   1.865
  158   2HG2  ILE  19          2HG2      ILE  19  -7.667  -2.930   3.222
  159   3HG2  ILE  19          3HG2      ILE  19  -7.019  -1.743   2.090
  160   1HD1  ILE  19          1HD1      ILE  19  -4.608  -2.923   0.617
  161   2HD1  ILE  19          2HD1      ILE  19  -4.768  -2.370   2.283
  162   3HD1  ILE  19          3HD1      ILE  19  -3.676  -3.699   1.897
  163    HA   PRO  20           HA       PRO  20 -12.089  -4.457  -0.146
  164   1HB   PRO  20          1HB       PRO  20 -12.803  -2.023   1.040
  165   2HB   PRO  20          2HB       PRO  20 -13.274  -3.628   1.605
  166   1HG   PRO  20          1HG       PRO  20 -11.058  -1.861   2.542
  167   2HG   PRO  20          2HG       PRO  20 -12.114  -2.934   3.480
  168   1HD   PRO  20          1HD       PRO  20  -9.601  -3.632   2.931
  169   2HD   PRO  20          2HD       PRO  20 -10.906  -4.836   2.892
  170    H    VAL  21           H        VAL  21 -12.344  -3.622  -2.118
  171    HA   VAL  21           HA       VAL  21 -10.485  -1.864  -3.280
  172    HB   VAL  21           HB       VAL  21 -13.196  -1.994  -4.488
  173   1HG1  VAL  21          1HG1      VAL  21 -10.354  -2.048  -5.400
  174   2HG1  VAL  21          2HG1      VAL  21 -11.626  -2.655  -6.459
  175   3HG1  VAL  21          3HG1      VAL  21 -11.673  -0.986  -5.893
  176   1HG2  VAL  21          1HG2      VAL  21 -11.600  -4.378  -3.773
  177   2HG2  VAL  21          2HG2      VAL  21 -13.341  -4.197  -3.984
  178   3HG2  VAL  21          3HG2      VAL  21 -12.290  -4.333  -5.394
  179    H    ALA  22           H        ALA  22 -13.342  -1.297  -1.454
  180    HA   ALA  22           HA       ALA  22 -13.911   1.320  -2.399
  181   1HB   ALA  22          1HB       ALA  22 -14.769  -0.319  -0.064
  182   2HB   ALA  22          2HB       ALA  22 -15.106   1.414  -0.068
  183   3HB   ALA  22          3HB       ALA  22 -15.734   0.389  -1.360
  184    H    LEU  23           H        LEU  23 -11.297   0.186  -0.725
  185    HA   LEU  23           HA       LEU  23 -10.927   2.676   0.791
  186   1HB   LEU  23          1HB       LEU  23  -9.739  -0.068   1.022
  187   2HB   LEU  23          2HB       LEU  23  -8.926   1.317   1.727
  188    HG   LEU  23           HG       LEU  23 -10.534  -0.143   3.178
  189   1HD1  LEU  23          1HD1      LEU  23  -9.430   2.255   3.517
  190   2HD1  LEU  23          2HD1      LEU  23 -11.124   2.741   3.493
  191   3HD1  LEU  23          3HD1      LEU  23 -10.562   1.560   4.676
  192   1HD2  LEU  23          1HD2      LEU  23 -12.460   1.690   1.759
  193   2HD2  LEU  23          2HD2      LEU  23 -12.450  -0.072   1.714
  194   3HD2  LEU  23          3HD2      LEU  23 -12.826   0.770   3.219
  195    H    LEU  24           H        LEU  24 -10.175   1.378  -2.151
  196    HA   LEU  24           HA       LEU  24  -7.507   2.567  -2.291
  197   1HB   LEU  24          1HB       LEU  24  -9.036   0.875  -4.267
  198   2HB   LEU  24          2HB       LEU  24  -7.426   1.511  -4.541
  199    HG   LEU  24           HG       LEU  24  -8.229  -0.499  -2.437
  200   1HD1  LEU  24          1HD1      LEU  24  -6.660  -0.686  -4.993
  201   2HD1  LEU  24          2HD1      LEU  24  -6.583  -1.912  -3.727
  202   3HD1  LEU  24          3HD1      LEU  24  -8.114  -1.572  -4.534
  203   1HD2  LEU  24          1HD2      LEU  24  -5.958   1.293  -2.595
  204   2HD2  LEU  24          2HD2      LEU  24  -6.469   0.229  -1.283
  205   3HD2  LEU  24          3HD2      LEU  24  -5.464  -0.400  -2.589
  206    H    ILE  25           H        ILE  25  -7.079   4.408  -3.356
  207    HA   ILE  25           HA       ILE  25  -9.340   5.784  -4.635
  208    HB   ILE  25           HB       ILE  25  -8.038   7.857  -4.309
  209   1HG1  ILE  25          1HG1      ILE  25  -6.171   6.323  -2.526
  210   2HG1  ILE  25          2HG1      ILE  25  -5.823   6.480  -4.244
  211   1HG2  ILE  25          1HG2      ILE  25  -9.687   7.102  -2.643
  212   2HG2  ILE  25          2HG2      ILE  25  -8.399   6.276  -1.767
  213   3HG2  ILE  25          3HG2      ILE  25  -8.376   8.032  -1.918
  214   1HD1  ILE  25          1HD1      ILE  25  -6.417   9.058  -3.426
  215   2HD1  ILE  25          2HD1      ILE  25  -5.461   8.378  -2.110
  216   3HD1  ILE  25          3HD1      ILE  25  -4.818   8.387  -3.752
  217    H    HIS  26           H        HIS  26  -6.088   4.628  -5.137
  218    HA   HIS  26           HA       HIS  26  -6.386   4.858  -7.986
  219   1HB   HIS  26          1HB       HIS  26  -4.956   6.911  -6.523
  220   2HB   HIS  26          2HB       HIS  26  -3.892   6.083  -7.656
  221    HD1  HIS  26           HD1      HIS  26  -5.863   5.637  -9.977
  222    HD2  HIS  26           HD2      HIS  26  -5.480   9.208  -7.888
  223    HE1  HIS  26           HE1      HIS  26  -6.720   7.420 -11.530
  224    HE2  HIS  26           HE2      HIS  26  -6.412   9.580 -10.271
  225    H    TYR  27           H        TYR  27  -4.530   3.901  -9.148
  226    HA   TYR  27           HA       TYR  27  -2.920   2.111  -7.464
  227   1HB   TYR  27          1HB       TYR  27  -3.486   0.204  -8.653
  228   2HB   TYR  27          2HB       TYR  27  -5.021   1.067  -8.623
  229    HD1  TYR  27           HD1      TYR  27  -2.160   0.081 -10.722
  230    HD2  TYR  27           HD2      TYR  27  -5.983   1.965 -10.638
  231    HE1  TYR  27           HE1      TYR  27  -2.252  -0.011 -13.181
  232    HE2  TYR  27           HE2      TYR  27  -6.086   1.879 -13.099
  233    HH   TYR  27           HH       TYR  27  -5.143   0.800 -14.947
  234    H    GLN  28           H        GLN  28  -0.888   1.583  -8.251
  235    HA   GLN  28           HA       GLN  28  -0.059   2.702 -10.810
  236   1HB   GLN  28          1HB       GLN  28   2.068   3.514  -9.455
  237   2HB   GLN  28          2HB       GLN  28   0.652   4.538  -9.647
  238   1HG   GLN  28          1HG       GLN  28   0.189   2.980  -7.367
  239   2HG   GLN  28          2HG       GLN  28   1.858   3.535  -7.258
  240   1HE2  GLN  28          2HE2      GLN  28  -1.426   4.374  -6.969
  241   2HE2  GLN  28          1HE2      GLN  28  -1.211   6.050  -6.611
  242    H    GLN  29           H        GLN  29   2.140   1.979 -11.434
  243    HA   GLN  29           HA       GLN  29   2.568  -0.763 -10.493
  244   1HB   GLN  29          1HB       GLN  29   3.948  -0.972 -12.586
  245   2HB   GLN  29          2HB       GLN  29   2.238  -0.657 -12.851
  246   1HG   GLN  29          1HG       GLN  29   3.510   1.849 -12.714
  247   2HG   GLN  29          2HG       GLN  29   4.505   0.823 -13.745
  248   1HE2  GLN  29          2HE2      GLN  29   1.006   1.083 -13.222
  249   2HE2  GLN  29          1HE2      GLN  29   0.603   1.331 -14.883
  250    H    ASN  30           H        ASN  30   4.579  -1.509  -9.845
  251    HA   ASN  30           HA       ASN  30   6.267   0.436  -8.595
  252   1HB   ASN  30          1HB       ASN  30   5.725  -1.919  -7.744
  253   2HB   ASN  30          2HB       ASN  30   6.906  -2.493  -8.917
  254   1HD2  ASN  30          2HD2      ASN  30   8.214  -3.295  -7.267
  255   2HD2  ASN  30          1HD2      ASN  30   9.174  -2.251  -6.280
  256    H    GLN  31           H        GLN  31   8.701   0.274  -8.856
  257    HA   GLN  31           HA       GLN  31   9.310   0.373 -11.724
  258   1HB   GLN  31          1HB       GLN  31  10.870   1.485  -9.383
  259   2HB   GLN  31          2HB       GLN  31  11.260   1.712 -11.082
  260   1HG   GLN  31          1HG       GLN  31   8.774   2.660 -11.107
  261   2HG   GLN  31          2HG       GLN  31   9.178   2.990  -9.423
  262   1HE2  GLN  31          2HE2      GLN  31   8.731   4.780 -11.742
  263   2HE2  GLN  31          1HE2      GLN  31  10.145   5.771 -11.830
  264    H    ALA  32           H        ALA  32  11.311  -0.502 -12.509
  265    HA   ALA  32           HA       ALA  32  11.866  -3.090 -11.429
  266   1HB   ALA  32          1HB       ALA  32  12.977  -1.531 -13.741
  267   2HB   ALA  32          2HB       ALA  32  13.620  -3.107 -13.279
  268   3HB   ALA  32          3HB       ALA  32  11.934  -2.953 -13.771
  269    H    SER  33           H        SER  33  12.907  -0.089 -10.525
  270    HA   SER  33           HA       SER  33  15.596  -0.979  -9.777
  271   1HB   SER  33          1HB       SER  33  16.248   1.214  -9.776
  272   2HB   SER  33          2HB       SER  33  14.871   1.368 -10.866
  273    HG   SER  33           HG       SER  33  15.136   2.789  -8.839
  274    H    CYS  34           H        CYS  34  12.823  -1.573  -8.519
  275    HA   CYS  34           HA       CYS  34  13.650  -0.969  -5.758
  276   1HB   CYS  34          1HB       CYS  34  10.765  -1.269  -6.555
  277   2HB   CYS  34          2HB       CYS  34  11.435  -0.531  -5.102
  278    H    GLY  35           H        GLY  35  11.482  -2.469  -4.613
  279   1HA   GLY  35          1HA       GLY  35  12.662  -5.003  -4.432
  280   2HA   GLY  35          2HA       GLY  35  11.035  -4.605  -3.898
  281    H    LYS  36           H        LYS  36  10.546  -6.808  -4.592
  282    HA   LYS  36           HA       LYS  36  10.787  -7.839  -7.126
  283   1HB   LYS  36          1HB       LYS  36   8.714  -8.180  -4.990
  284   2HB   LYS  36          2HB       LYS  36   8.486  -8.950  -6.552
  285   1HG   LYS  36          1HG       LYS  36   9.690 -10.639  -5.792
  286   2HG   LYS  36          2HG       LYS  36  11.097  -9.573  -5.834
  287   1HD   LYS  36          1HD       LYS  36  11.200  -9.475  -3.607
  288   2HD   LYS  36          2HD       LYS  36   9.473  -9.138  -3.472
  289   1HE   LYS  36          1HE       LYS  36   9.693 -11.831  -4.241
  290   2HE   LYS  36          2HE       LYS  36  10.891 -11.580  -2.972
  291   1HZ   LYS  36          1HZ       LYS  36   8.456 -10.323  -2.277
  292   2HZ   LYS  36          2HZ       LYS  36   8.168 -11.944  -2.661
  293   3HZ   LYS  36          3HZ       LYS  36   9.293 -11.545  -1.460
  294    H    ARG  37           H        ARG  37   9.211  -8.066  -8.862
  295    HA   ARG  37           HA       ARG  37   8.170  -5.522  -9.653
  296   1HB   ARG  37          1HB       ARG  37   7.618  -8.142 -11.031
  297   2HB   ARG  37          2HB       ARG  37   7.684  -6.534 -11.738
  298   1HG   ARG  37          1HG       ARG  37  10.103  -6.461 -11.288
  299   2HG   ARG  37          2HG       ARG  37  10.012  -8.108 -10.660
  300   1HD   ARG  37          1HD       ARG  37   9.985  -8.997 -12.710
  301   2HD   ARG  37          2HD       ARG  37   8.795  -7.831 -13.288
  302    HE   ARG  37           HE       ARG  37  10.517  -6.785 -14.334
  303   1HH1  ARG  37          1HH1      ARG  37  11.766  -8.337 -11.479
  304   2HH1  ARG  37          2HH1      ARG  37  13.397  -7.819 -11.754
  305   1HH2  ARG  37          1HH2      ARG  37  12.659  -6.099 -14.708
  306   2HH2  ARG  37          2HH2      ARG  37  13.904  -6.547 -13.589
  307    H    ALA  38           H        ALA  38   6.707  -5.332  -7.763
  308    HA   ALA  38           HA       ALA  38   4.202  -6.834  -8.115
  309   1HB   ALA  38          1HB       ALA  38   5.403  -5.454  -5.735
  310   2HB   ALA  38          2HB       ALA  38   3.700  -5.908  -5.790
  311   3HB   ALA  38          3HB       ALA  38   4.947  -7.148  -5.914
  312    H    ILE  39           H        ILE  39   2.373  -5.267  -6.956
  313    HA   ILE  39           HA       ILE  39   2.360  -2.861  -8.653
  314    HB   ILE  39           HB       ILE  39   0.087  -4.580  -7.670
  315   1HG1  ILE  39          1HG1      ILE  39   1.499  -5.075  -9.802
  316   2HG1  ILE  39          2HG1      ILE  39  -0.256  -5.148  -9.903
  317   1HG2  ILE  39          1HG2      ILE  39   0.031  -1.825  -8.866
  318   2HG2  ILE  39          2HG2      ILE  39  -1.345  -2.922  -8.965
  319   3HG2  ILE  39          3HG2      ILE  39  -0.746  -2.400  -7.391
  320   1HD1  ILE  39          1HD1      ILE  39   1.353  -2.728 -10.664
  321   2HD1  ILE  39          2HD1      ILE  39   0.872  -3.988 -11.801
  322   3HD1  ILE  39          3HD1      ILE  39  -0.357  -3.030 -10.974
  323    H    ILE  40           H        ILE  40   1.580  -0.912  -7.817
  324    HA   ILE  40           HA       ILE  40   1.657  -0.748  -4.883
  325    HB   ILE  40           HB       ILE  40   1.941   1.567  -6.790
  326   1HG1  ILE  40          1HG1      ILE  40   3.672  -0.365  -7.026
  327   2HG1  ILE  40          2HG1      ILE  40   4.254   1.291  -6.890
  328   1HG2  ILE  40          1HG2      ILE  40   1.367   1.885  -4.330
  329   2HG2  ILE  40          2HG2      ILE  40   3.000   1.317  -3.992
  330   3HG2  ILE  40          3HG2      ILE  40   2.756   2.775  -4.952
  331   1HD1  ILE  40          1HD1      ILE  40   4.074  -0.655  -4.604
  332   2HD1  ILE  40          2HD1      ILE  40   5.535  -0.306  -5.529
  333   3HD1  ILE  40          3HD1      ILE  40   4.776   0.962  -4.567
  334    H    LEU  41           H        LEU  41  -0.220  -0.484  -3.882
  335    HA   LEU  41           HA       LEU  41  -2.477   0.656  -5.380
  336   1HB   LEU  41          1HB       LEU  41  -2.542  -0.929  -2.813
  337   2HB   LEU  41          2HB       LEU  41  -3.923  -0.444  -3.779
  338    HG   LEU  41           HG       LEU  41  -1.781  -2.388  -4.645
  339   1HD1  LEU  41          1HD1      LEU  41  -4.056  -2.738  -2.991
  340   2HD1  LEU  41          2HD1      LEU  41  -4.382  -3.518  -4.540
  341   3HD1  LEU  41          3HD1      LEU  41  -2.948  -3.961  -3.613
  342   1HD2  LEU  41          1HD2      LEU  41  -3.297  -0.827  -6.269
  343   2HD2  LEU  41          2HD2      LEU  41  -2.683  -2.422  -6.701
  344   3HD2  LEU  41          3HD2      LEU  41  -4.328  -2.247  -6.092
  345    H    GLU  42           H        GLU  42  -3.342   2.550  -4.815
  346    HA   GLU  42           HA       GLU  42  -2.314   3.853  -2.389
  347   1HB   GLU  42          1HB       GLU  42  -2.045   4.887  -4.736
  348   2HB   GLU  42          2HB       GLU  42  -3.763   5.245  -4.628
  349   1HG   GLU  42          1HG       GLU  42  -3.458   6.921  -3.171
  350   2HG   GLU  42          2HG       GLU  42  -2.178   6.074  -2.304
  351    H    THR  43           H        THR  43  -3.629   4.232  -0.728
  352    HA   THR  43           HA       THR  43  -6.504   3.761  -1.107
  353    HB   THR  43           HB       THR  43  -6.587   3.363   1.312
  354    HG1  THR  43           HG1      THR  43  -5.055   4.132   2.490
  355   1HG2  THR  43          1HG2      THR  43  -4.940   1.772  -0.478
  356   2HG2  THR  43          2HG2      THR  43  -4.531   1.558   1.224
  357   3HG2  THR  43          3HG2      THR  43  -6.182   1.274   0.673
  358    H    ARG  44           H        ARG  44  -7.931   5.034   0.426
  359    HA   ARG  44           HA       ARG  44  -7.751   7.761  -0.165
  360   1HB   ARG  44          1HB       ARG  44  -9.297   6.855   2.224
  361   2HB   ARG  44          2HB       ARG  44  -9.746   8.005   0.972
  362   1HG   ARG  44          1HG       ARG  44  -9.840   5.993  -0.596
  363   2HG   ARG  44          2HG       ARG  44  -9.803   5.011   0.870
  364   1HD   ARG  44          1HD       ARG  44 -11.816   7.187   0.328
  365   2HD   ARG  44          2HD       ARG  44 -12.095   5.476   0.009
  366    HE   ARG  44           HE       ARG  44 -11.441   5.407   2.585
  367   1HH1  ARG  44          1HH1      ARG  44 -13.589   7.534   0.855
  368   2HH1  ARG  44          2HH1      ARG  44 -14.631   7.797   2.215
  369   1HH2  ARG  44          1HH2      ARG  44 -12.805   5.747   4.379
  370   2HH2  ARG  44          2HH2      ARG  44 -14.185   6.781   4.217
  371    H    GLN  45           H        GLN  45  -6.195   5.941   2.257
  372    HA   GLN  45           HA       GLN  45  -5.625   8.349   3.843
  373   1HB   GLN  45          1HB       GLN  45  -5.464   5.410   4.462
  374   2HB   GLN  45          2HB       GLN  45  -4.626   6.597   5.452
  375   1HG   GLN  45          1HG       GLN  45  -7.062   7.701   5.417
  376   2HG   GLN  45          2HG       GLN  45  -7.505   6.005   5.225
  377   1HE2  GLN  45          2HE2      GLN  45  -5.939   4.604   6.749
  378   2HE2  GLN  45          1HE2      GLN  45  -5.992   5.104   8.402
  379    H    HIS  46           H        HIS  46  -4.421   7.857   1.262
  380    HA   HIS  46           HA       HIS  46  -2.397   7.790   0.210
  381   1HB   HIS  46          1HB       HIS  46  -1.721   9.104   2.837
  382   2HB   HIS  46          2HB       HIS  46  -0.545   8.942   1.537
  383    HD1  HIS  46           HD1      HIS  46  -1.166  10.210  -0.736
  384    HD2  HIS  46           HD2      HIS  46  -3.445  11.215   2.591
  385    HE1  HIS  46           HE1      HIS  46  -2.304  12.372  -1.329
  386    HE2  HIS  46           HE2      HIS  46  -3.600  13.010   0.735
  387    H    ARG  47           H        ARG  47  -2.972   5.315   1.075
  388    HA   ARG  47           HA       ARG  47  -0.521   4.333   2.372
  389   1HB   ARG  47          1HB       ARG  47  -3.074   3.797   3.071
  390   2HB   ARG  47          2HB       ARG  47  -2.788   2.482   1.937
  391   1HG   ARG  47          1HG       ARG  47  -0.570   2.766   3.751
  392   2HG   ARG  47          2HG       ARG  47  -2.090   2.575   4.629
  393   1HD   ARG  47          1HD       ARG  47  -2.500   0.486   3.735
  394   2HD   ARG  47          2HD       ARG  47  -1.482   0.776   2.323
  395    HE   ARG  47           HE       ARG  47  -0.676  -0.394   4.766
  396   1HH1  ARG  47          1HH1      ARG  47   0.420   1.804   2.300
  397   2HH1  ARG  47          2HH1      ARG  47   2.099   1.468   2.561
  398   1HH2  ARG  47          1HH2      ARG  47   1.534  -0.847   5.119
  399   2HH2  ARG  47          2HH2      ARG  47   2.733  -0.041   4.163
  400    H    LEU  48           H        LEU  48   0.925   3.255   1.205
  401    HA   LEU  48           HA       LEU  48   0.144   2.360  -1.483
  402   1HB   LEU  48          1HB       LEU  48   2.800   3.202  -0.345
  403   2HB   LEU  48          2HB       LEU  48   2.651   2.385  -1.888
  404    HG   LEU  48           HG       LEU  48   1.791   5.149  -1.136
  405   1HD1  LEU  48          1HD1      LEU  48   3.911   4.059  -2.570
  406   2HD1  LEU  48          2HD1      LEU  48   2.820   4.708  -3.795
  407   3HD1  LEU  48          3HD1      LEU  48   3.427   5.754  -2.509
  408   1HD2  LEU  48          1HD2      LEU  48   0.503   3.330  -3.107
  409   2HD2  LEU  48          2HD2      LEU  48  -0.207   4.590  -2.099
  410   3HD2  LEU  48          3HD2      LEU  48   0.714   5.026  -3.537
  411    H    PHE  49           H        PHE  49  -0.144   0.254  -1.710
  412    HA   PHE  49           HA       PHE  49   1.347  -1.575   0.053
  413   1HB   PHE  49          1HB       PHE  49  -1.417  -1.623  -1.057
  414   2HB   PHE  49          2HB       PHE  49  -0.595  -3.165  -0.855
  415    HD1  PHE  49           HD1      PHE  49   0.786  -3.117   1.569
  416    HD2  PHE  49           HD2      PHE  49  -2.893  -1.177   0.627
  417    HE1  PHE  49           HE1      PHE  49   0.170  -3.133   3.958
  418    HE2  PHE  49           HE2      PHE  49  -3.515  -1.188   3.012
  419    HZ   PHE  49           HZ       PHE  49  -1.982  -2.168   4.681
  420    H    CYS  50           H        CYS  50   2.731  -2.985  -0.822
  421    HA   CYS  50           HA       CYS  50   3.014  -3.032  -3.723
  422   1HB   CYS  50          1HB       CYS  50   4.760  -3.714  -1.410
  423   2HB   CYS  50          2HB       CYS  50   5.032  -4.589  -2.914
  424    H    ALA  51           H        ALA  51   1.098  -4.253  -4.144
  425    HA   ALA  51           HA       ALA  51   1.207  -7.069  -3.316
  426   1HB   ALA  51          1HB       ALA  51  -0.859  -5.849  -2.794
  427   2HB   ALA  51          2HB       ALA  51  -1.098  -5.534  -4.512
  428   3HB   ALA  51          3HB       ALA  51  -1.142  -7.190  -3.901
  429    H    ASP  52           H        ASP  52   1.854  -8.544  -4.727
  430    HA   ASP  52           HA       ASP  52   2.706  -7.987  -7.317
  431   1HB   ASP  52          1HB       ASP  52   3.459  -9.951  -6.049
  432   2HB   ASP  52          2HB       ASP  52   1.846 -10.649  -6.165
  433    HA   PRO  53           HA       PRO  53  -0.885  -7.545  -9.832
  434   1HB   PRO  53          1HB       PRO  53   0.657  -9.286 -11.705
  435   2HB   PRO  53          2HB       PRO  53  -0.154  -7.746 -12.011
  436   1HG   PRO  53          1HG       PRO  53   2.495  -7.861 -11.748
  437   2HG   PRO  53          2HG       PRO  53   1.567  -6.502 -11.091
  438   1HD   PRO  53          1HD       PRO  53   2.845  -8.784  -9.676
  439   2HD   PRO  53          2HD       PRO  53   2.579  -7.117  -9.126
  440    H    LYS  54           H        LYS  54   0.468 -10.630  -8.991
  441    HA   LYS  54           HA       LYS  54  -1.569 -12.254 -10.133
  442   1HB   LYS  54          1HB       LYS  54   0.427 -12.777  -7.929
  443   2HB   LYS  54          2HB       LYS  54  -0.666 -14.002  -8.558
  444   1HG   LYS  54          1HG       LYS  54   1.073 -12.521 -10.464
  445   2HG   LYS  54          2HG       LYS  54   1.783 -13.783  -9.456
  446   1HD   LYS  54          1HD       LYS  54   0.403 -15.446 -10.376
  447   2HD   LYS  54          2HD       LYS  54  -0.707 -14.260 -11.066
  448   1HE   LYS  54          1HE       LYS  54   0.459 -14.192 -12.957
  449   2HE   LYS  54          2HE       LYS  54   1.941 -13.825 -12.076
  450   1HZ   LYS  54          1HZ       LYS  54   0.857 -16.566 -12.407
  451   2HZ   LYS  54          2HZ       LYS  54   2.031 -15.890 -13.420
  452   3HZ   LYS  54          3HZ       LYS  54   2.367 -16.134 -11.781
  453    H    GLU  55           H        GLU  55  -0.982 -11.071  -6.831
  454    HA   GLU  55           HA       GLU  55  -2.934 -12.208  -5.377
  455   1HB   GLU  55          1HB       GLU  55  -2.092  -9.315  -5.417
  456   2HB   GLU  55          2HB       GLU  55  -3.206  -9.953  -4.218
  457   1HG   GLU  55          1HG       GLU  55  -1.501 -11.547  -3.486
  458   2HG   GLU  55          2HG       GLU  55  -0.383 -10.886  -4.679
  459    H    GLN  56           H        GLN  56  -5.086 -12.352  -5.360
  460    HA   GLN  56           HA       GLN  56  -6.652 -11.496  -7.501
  461   1HB   GLN  56          1HB       GLN  56  -7.127 -13.355  -5.810
  462   2HB   GLN  56          2HB       GLN  56  -7.763 -12.092  -4.766
  463   1HG   GLN  56          1HG       GLN  56  -8.799 -13.004  -7.427
  464   2HG   GLN  56          2HG       GLN  56  -9.620 -13.012  -5.867
  465   1HE2  GLN  56          2HE2      GLN  56  -8.591 -11.066  -8.559
  466   2HE2  GLN  56          1HE2      GLN  56  -9.544  -9.675  -8.184
  467    H    TRP  57           H        TRP  57  -6.687 -10.229  -4.152
  468    HA   TRP  57           HA       TRP  57  -8.498  -8.200  -4.527
  469   1HB   TRP  57          1HB       TRP  57  -7.763  -7.267  -2.522
  470   2HB   TRP  57          2HB       TRP  57  -7.317  -8.961  -2.371
  471    HD1  TRP  57           HD1      TRP  57  -4.598  -9.436  -3.109
  472    HE1  TRP  57           HE1      TRP  57  -2.552  -8.046  -2.392
  473    HE3  TRP  57           HE3      TRP  57  -6.972  -5.074  -1.881
  474    HZ2  TRP  57           HZ2      TRP  57  -2.018  -5.440  -1.425
  475    HZ3  TRP  57           HZ3      TRP  57  -5.623  -3.180  -1.068
  476    HH2  TRP  57           HH2      TRP  57  -3.195  -3.360  -0.845
  477    H    VAL  58           H        VAL  58  -5.367  -8.419  -5.898
  478    HA   VAL  58           HA       VAL  58  -5.134  -5.557  -6.350
  479    HB   VAL  58           HB       VAL  58  -3.416  -7.878  -7.233
  480   1HG1  VAL  58          1HG1      VAL  58  -3.428  -6.026  -8.887
  481   2HG1  VAL  58          2HG1      VAL  58  -2.865  -4.941  -7.618
  482   3HG1  VAL  58          3HG1      VAL  58  -1.856  -6.291  -8.135
  483   1HG2  VAL  58          1HG2      VAL  58  -3.372  -7.257  -4.823
  484   2HG2  VAL  58          2HG2      VAL  58  -1.821  -7.063  -5.641
  485   3HG2  VAL  58          3HG2      VAL  58  -2.817  -5.650  -5.294
  486    H    LYS  59           H        LYS  59  -5.770  -8.508  -8.196
  487    HA   LYS  59           HA       LYS  59  -5.923  -7.264 -10.732
  488   1HB   LYS  59          1HB       LYS  59  -7.155  -9.838  -9.728
  489   2HB   LYS  59          2HB       LYS  59  -7.117  -9.344 -11.415
  490   1HG   LYS  59          1HG       LYS  59  -4.701  -9.419 -11.419
  491   2HG   LYS  59          2HG       LYS  59  -4.691  -9.821  -9.699
  492   1HD   LYS  59          1HD       LYS  59  -5.533 -11.953 -10.061
  493   2HD   LYS  59          2HD       LYS  59  -6.191 -11.531 -11.642
  494   1HE   LYS  59          1HE       LYS  59  -3.238 -11.560 -11.086
  495   2HE   LYS  59          2HE       LYS  59  -4.110 -13.002 -11.602
  496   1HZ   LYS  59          1HZ       LYS  59  -4.459 -10.560 -13.174
  497   2HZ   LYS  59          2HZ       LYS  59  -2.989 -11.383 -13.321
  498   3HZ   LYS  59          3HZ       LYS  59  -4.439 -12.175 -13.677
  499    H    ASP  60           H        ASP  60  -8.420  -8.203  -8.376
  500    HA   ASP  60           HA       ASP  60 -10.575  -7.149  -9.914
  501   1HB   ASP  60          1HB       ASP  60 -10.247  -8.277  -7.191
  502   2HB   ASP  60          2HB       ASP  60 -11.596  -7.167  -7.412
  503    H    ALA  61           H        ALA  61  -8.662  -5.947  -7.176
  504    HA   ALA  61           HA       ALA  61 -10.014  -3.638  -6.606
  505   1HB   ALA  61          1HB       ALA  61  -7.082  -4.261  -6.563
  506   2HB   ALA  61          2HB       ALA  61  -7.696  -2.687  -6.061
  507   3HB   ALA  61          3HB       ALA  61  -8.209  -4.145  -5.213
  508    H    MET  62           H        MET  62  -7.608  -4.161  -9.154
  509    HA   MET  62           HA       MET  62  -7.641  -1.494 -10.116
  510   1HB   MET  62          1HB       MET  62  -6.653  -4.110 -11.191
  511   2HB   MET  62          2HB       MET  62  -6.714  -2.703 -12.246
  512   1HG   MET  62          1HG       MET  62  -4.943  -1.746 -11.281
  513   2HG   MET  62          2HG       MET  62  -5.456  -2.201  -9.659
  514   1HE   MET  62          1HE       MET  62  -4.544  -3.551 -12.945
  515   2HE   MET  62          2HE       MET  62  -2.826  -3.838 -12.669
  516   3HE   MET  62          3HE       MET  62  -3.965  -5.183 -12.612
  517    H    GLN  63           H        GLN  63  -9.220  -4.471 -11.266
  518    HA   GLN  63           HA       GLN  63 -10.500  -3.561 -13.494
  519   1HB   GLN  63          1HB       GLN  63 -10.659  -5.877 -12.641
  520   2HB   GLN  63          2HB       GLN  63 -11.733  -5.321 -11.364
  521   1HG   GLN  63          1HG       GLN  63 -12.973  -4.382 -13.609
  522   2HG   GLN  63          2HG       GLN  63 -12.290  -5.909 -14.164
  523   1HE2  GLN  63          2HE2      GLN  63 -14.652  -4.388 -12.193
  524   2HE2  GLN  63          1HE2      GLN  63 -15.461  -5.822 -11.669
  525    H    HIS  64           H        HIS  64 -11.240  -2.864 -10.151
  526    HA   HIS  64           HA       HIS  64 -13.738  -1.573 -10.690
  527   1HB   HIS  64          1HB       HIS  64 -13.259  -2.590  -8.498
  528   2HB   HIS  64          2HB       HIS  64 -11.966  -1.423  -8.243
  529    HD1  HIS  64           HD1      HIS  64 -15.674  -1.174  -9.108
  530    HD2  HIS  64           HD2      HIS  64 -12.817   0.569  -6.645
  531    HE1  HIS  64           HE1      HIS  64 -16.899   0.588  -7.798
  532    HE2  HIS  64           HE2      HIS  64 -15.169   1.563  -6.246
  533    H    LEU  65           H        LEU  65 -10.475  -0.446  -9.859
  534    HA   LEU  65           HA       LEU  65 -10.996   2.297  -9.951
  535   1HB   LEU  65          1HB       LEU  65  -8.443   0.840 -10.639
  536   2HB   LEU  65          2HB       LEU  65  -8.570   2.557 -10.309
  537    HG   LEU  65           HG       LEU  65  -8.669   0.255  -8.426
  538   1HD1  LEU  65          1HD1      LEU  65  -6.782   2.060  -8.948
  539   2HD1  LEU  65          2HD1      LEU  65  -7.678   2.950  -7.718
  540   3HD1  LEU  65          3HD1      LEU  65  -7.013   1.360  -7.345
  541   1HD2  LEU  65          1HD2      LEU  65 -10.066   2.883  -7.939
  542   2HD2  LEU  65          2HD2      LEU  65 -10.831   1.299  -8.067
  543   3HD2  LEU  65          3HD2      LEU  65  -9.749   1.649  -6.720
  544    H    ASP  66           H        ASP  66 -10.354  -0.010 -12.501
  545    HA   ASP  66           HA       ASP  66  -9.891   1.916 -14.553
  546   1HB   ASP  66          1HB       ASP  66 -10.475  -1.030 -14.518
  547   2HB   ASP  66          2HB       ASP  66 -10.487  -0.141 -16.039
  548    H    ARG  67           H        ARG  67 -12.720   0.330 -13.242
  549    HA   ARG  67           HA       ARG  67 -14.517   0.970 -15.329
  550   1HB   ARG  67          1HB       ARG  67 -14.721   0.011 -12.538
  551   2HB   ARG  67          2HB       ARG  67 -16.141   0.837 -13.169
  552   1HG   ARG  67          1HG       ARG  67 -16.140  -0.726 -15.089
  553   2HG   ARG  67          2HG       ARG  67 -14.802  -1.593 -14.334
  554   1HD   ARG  67          1HD       ARG  67 -16.115  -2.386 -12.607
  555   2HD   ARG  67          2HD       ARG  67 -17.307  -1.100 -12.788
  556    HE   ARG  67           HE       ARG  67 -17.363  -3.635 -14.038
  557   1HH1  ARG  67          1HH1      ARG  67 -18.045  -0.273 -14.646
  558   2HH1  ARG  67          2HH1      ARG  67 -19.255  -0.600 -15.839
  559   1HH2  ARG  67          1HH2      ARG  67 -18.956  -4.077 -15.609
  560   2HH2  ARG  67          2HH2      ARG  67 -19.774  -2.763 -16.387
  561    H    GLN  68           H        GLN  68 -13.504   2.671 -12.417
  562    HA   GLN  68           HA       GLN  68 -15.412   4.769 -12.613
  563   1HB   GLN  68          1HB       GLN  68 -12.906   4.300 -11.064
  564   2HB   GLN  68          2HB       GLN  68 -13.529   5.941 -11.159
  565   1HG   GLN  68          1HG       GLN  68 -15.124   5.519  -9.677
  566   2HG   GLN  68          2HG       GLN  68 -15.613   4.046 -10.512
  567   1HE2  GLN  68          2HE2      GLN  68 -13.522   2.418 -10.317
  568   2HE2  GLN  68          1HE2      GLN  68 -13.135   2.082  -8.667
  569    H    ALA  69           H        ALA  69 -12.465   4.086 -14.229
  570    HA   ALA  69           HA       ALA  69 -11.732   6.742 -14.931
  571   1HB   ALA  69          1HB       ALA  69 -10.764   4.083 -15.425
  572   2HB   ALA  69          2HB       ALA  69 -10.766   5.021 -16.919
  573   3HB   ALA  69          3HB       ALA  69  -9.901   5.620 -15.502
  574    H    ALA  70           H        ALA  70 -14.207   4.666 -15.981
  575    HA   ALA  70           HA       ALA  70 -14.765   6.456 -18.246
  576   1HB   ALA  70          1HB       ALA  70 -14.982   3.449 -18.268
  577   2HB   ALA  70          2HB       ALA  70 -15.589   4.512 -19.537
  578   3HB   ALA  70          3HB       ALA  70 -13.859   4.436 -19.202
  579    H    ALA  71           H        ALA  71 -16.069   4.012 -16.029
  580    HA   ALA  71           HA       ALA  71 -18.716   4.069 -16.398
  581   1HB   ALA  71          1HB       ALA  71 -17.215   4.221 -13.803
  582   2HB   ALA  71          2HB       ALA  71 -18.965   4.011 -13.871
  583   3HB   ALA  71          3HB       ALA  71 -17.903   2.801 -14.593
  584    H    LEU  72           H        LEU  72 -17.957   6.050 -13.653
  585    HA   LEU  72           HA       LEU  72 -20.017   7.877 -14.099
  586   1HB   LEU  72          1HB       LEU  72 -17.507   8.401 -12.518
  587   2HB   LEU  72          2HB       LEU  72 -19.061   9.178 -12.314
  588    HG   LEU  72           HG       LEU  72 -19.462   6.414 -12.009
  589   1HD1  LEU  72          1HD1      LEU  72 -16.844   6.840 -11.477
  590   2HD1  LEU  72          2HD1      LEU  72 -17.564   7.120  -9.893
  591   3HD1  LEU  72          3HD1      LEU  72 -17.823   5.584 -10.719
  592   1HD2  LEU  72          1HD2      LEU  72 -20.423   8.647 -10.922
  593   2HD2  LEU  72          2HD2      LEU  72 -20.593   7.066 -10.160
  594   3HD2  LEU  72          3HD2      LEU  72 -19.316   8.165  -9.637
  595    H    THR  73           H        THR  73 -16.545   8.687 -14.197
  596    HA   THR  73           HA       THR  73 -17.156  10.827 -16.097
  597    HB   THR  73           HB       THR  73 -15.867  11.495 -14.159
  598    HG1  THR  73           HG1      THR  73 -14.888  12.740 -15.511
  599   1HG2  THR  73          1HG2      THR  73 -14.516   9.018 -14.523
  600   2HG2  THR  73          2HG2      THR  73 -13.344  10.334 -14.598
  601   3HG2  THR  73          3HG2      THR  73 -14.395  10.169 -13.191
  602    H    ARG  74           H        ARG  74 -15.762  11.163 -17.954
  603    HA   ARG  74           HA       ARG  74 -14.923   8.606 -19.126
  604   1HB   ARG  74          1HB       ARG  74 -15.302  11.159 -20.665
  605   2HB   ARG  74          2HB       ARG  74 -15.370   9.503 -21.251
  606   1HG   ARG  74          1HG       ARG  74 -17.459   9.170 -19.986
  607   2HG   ARG  74          2HG       ARG  74 -17.401  10.863 -19.492
  608   1HD   ARG  74          1HD       ARG  74 -18.863  10.778 -21.342
  609   2HD   ARG  74          2HD       ARG  74 -17.348  11.444 -21.952
  610    HE   ARG  74           HE       ARG  74 -17.026   8.864 -22.506
  611   1HH1  ARG  74          1HH1      ARG  74 -19.765  10.960 -22.983
  612   2HH1  ARG  74          2HH1      ARG  74 -20.340  10.107 -24.377
  613   1HH2  ARG  74          1HH2      ARG  74 -17.774   7.732 -24.340
  614   2HH2  ARG  74          2HH2      ARG  74 -19.208   8.272 -25.149
  615    H    ASN  75           H        ASN  75 -13.462  10.761 -17.369
  616    HA   ASN  75           HA       ASN  75 -11.039  10.830 -19.045
  617   1HB   ASN  75          1HB       ASN  75 -12.436  13.031 -18.055
  618   2HB   ASN  75          2HB       ASN  75 -11.070  12.852 -16.957
  619   1HD2  ASN  75          2HD2      ASN  75  -9.127  13.533 -17.587
  620   2HD2  ASN  75          1HD2      ASN  75  -8.740  14.105 -19.171
  621    H    GLY  76           H        GLY  76 -11.893  11.361 -15.618
  622   1HA   GLY  76          1HA       GLY  76 -11.232   9.529 -14.054
  623   2HA   GLY  76          2HA       GLY  76  -9.704   9.499 -14.920
  Start of MODEL    9
    1   2H    MET   0          2H        MET   0  26.742   4.623   6.570
    2   3H    MET   0          3H        MET   0  25.524   5.685   5.995
    3   1H    MET   0          1H        MET   0  25.562   5.241   7.653
    4    HA   MET   0           HA       MET   0  23.857   4.119   6.320
    5   1HB   MET   0          1HB       MET   0  26.350   2.942   5.077
    6   2HB   MET   0          2HB       MET   0  24.744   2.252   4.888
    7   1HG   MET   0          1HG       MET   0  25.806   4.848   3.843
    8   2HG   MET   0          2HG       MET   0  25.092   3.505   2.952
    9   1HE   MET   0          1HE       MET   0  24.877   6.686   3.346
   10   2HE   MET   0          2HE       MET   0  23.180   7.143   3.207
   11   3HE   MET   0          3HE       MET   0  23.941   7.054   4.796
   12    H    GLN   1           H        GLN   1  26.969   2.825   7.456
   13    HA   GLN   1           HA       GLN   1  27.478   1.151   8.922
   14   1HB   GLN   1          1HB       GLN   1  26.651   2.869  10.466
   15   2HB   GLN   1          2HB       GLN   1  25.014   2.251  10.288
   16   1HG   GLN   1          1HG       GLN   1  25.383   0.485  11.648
   17   2HG   GLN   1          2HG       GLN   1  27.070   0.319  11.160
   18   1HE2  GLN   1          2HE2      GLN   1  25.102   1.096  13.657
   19   2HE2  GLN   1          1HE2      GLN   1  26.180   2.070  14.594
   20    H    HIS   2           H        HIS   2  25.752   0.417   6.690
   21    HA   HIS   2           HA       HIS   2  24.377  -1.259   5.966
   22   1HB   HIS   2          1HB       HIS   2  25.955  -2.577   8.172
   23   2HB   HIS   2          2HB       HIS   2  24.846  -3.479   7.145
   24    HD1  HIS   2           HD1      HIS   2  27.769  -4.238   7.082
   25    HD2  HIS   2           HD2      HIS   2  26.108  -1.399   4.543
   26    HE1  HIS   2           HE1      HIS   2  29.307  -4.132   5.095
   27    HE2  HIS   2           HE2      HIS   2  28.329  -2.345   3.613
   28    H    HIS   3           H        HIS   3  23.196   0.530   7.901
   29    HA   HIS   3           HA       HIS   3  20.909  -1.069   8.602
   30   1HB   HIS   3          1HB       HIS   3  22.547  -1.358  10.522
   31   2HB   HIS   3          2HB       HIS   3  22.322   0.355  10.855
   32    HD1  HIS   3           HD1      HIS   3  19.813  -2.423  10.140
   33    HD2  HIS   3           HD2      HIS   3  20.645   0.515  12.958
   34    HE1  HIS   3           HE1      HIS   3  17.954  -2.565  11.828
   35    HE2  HIS   3           HE2      HIS   3  18.542  -0.854  13.581
   36    H    GLY   4           H        GLY   4  20.378   0.617   6.899
   37   1HA   GLY   4          1HA       GLY   4  18.527   2.354   7.440
   38   2HA   GLY   4          2HA       GLY   4  19.887   3.261   8.085
   39    H    VAL   5           H        VAL   5  19.843   1.249   5.177
   40    HA   VAL   5           HA       VAL   5  20.579   3.635   3.627
   41    HB   VAL   5           HB       VAL   5  22.249   1.913   3.480
   42   1HG1  VAL   5          1HG1      VAL   5  19.917   0.162   3.293
   43   2HG1  VAL   5          2HG1      VAL   5  21.208  -0.242   2.161
   44   3HG1  VAL   5          3HG1      VAL   5  21.542  -0.172   3.891
   45   1HG2  VAL   5          1HG2      VAL   5  20.556   2.321   1.047
   46   2HG2  VAL   5          2HG2      VAL   5  22.128   3.015   1.441
   47   3HG2  VAL   5          3HG2      VAL   5  22.004   1.318   0.975
   48    H    THR   6           H        THR   6  19.044   4.512   2.424
   49    HA   THR   6           HA       THR   6  16.908   2.774   1.376
   50    HB   THR   6           HB       THR   6  15.955   5.376   1.235
   51    HG1  THR   6           HG1      THR   6  16.418   6.332   3.146
   52   1HG2  THR   6          1HG2      THR   6  15.359   2.985   2.747
   53   2HG2  THR   6          2HG2      THR   6  14.992   4.456   3.649
   54   3HG2  THR   6          3HG2      THR   6  14.274   4.194   2.059
   55    H    LYS   7           H        LYS   7  15.967   3.455  -0.696
   56    HA   LYS   7           HA       LYS   7  17.126   5.339  -2.394
   57   1HB   LYS   7          1HB       LYS   7  18.541   4.052  -3.820
   58   2HB   LYS   7          2HB       LYS   7  19.083   3.778  -2.171
   59   1HG   LYS   7          1HG       LYS   7  18.703   1.593  -2.308
   60   2HG   LYS   7          2HG       LYS   7  17.098   1.835  -3.001
   61   1HD   LYS   7          1HD       LYS   7  18.140   2.221  -5.203
   62   2HD   LYS   7          2HD       LYS   7  19.724   1.903  -4.491
   63   1HE   LYS   7          1HE       LYS   7  19.399  -0.239  -5.015
   64   2HE   LYS   7          2HE       LYS   7  18.196  -0.276  -3.727
   65   1HZ   LYS   7          1HZ       LYS   7  17.556   0.499  -6.516
   66   2HZ   LYS   7          2HZ       LYS   7  17.420  -1.087  -5.946
   67   3HZ   LYS   7          3HZ       LYS   7  16.472   0.137  -5.268
   68    H    CYS   8           H        CYS   8  14.556   4.677  -1.877
   69    HA   CYS   8           HA       CYS   8  13.348   4.502  -4.327
   70   1HB   CYS   8          1HB       CYS   8  14.168   1.879  -3.339
   71   2HB   CYS   8          2HB       CYS   8  12.443   1.968  -3.678
   72    H    ASN   9           H        ASN   9  11.703   5.740  -3.703
   73    HA   ASN   9           HA       ASN   9  10.542   6.161  -1.337
   74   1HB   ASN   9          1HB       ASN   9   8.647   6.993  -2.436
   75   2HB   ASN   9          2HB       ASN   9   9.908   7.097  -3.661
   76   1HD2  ASN   9          2HD2      ASN   9  10.014   5.362  -5.237
   77   2HD2  ASN   9          1HD2      ASN   9   8.553   4.577  -5.721
   78    H    ILE  10           H        ILE  10   9.530   3.539  -3.524
   79    HA   ILE  10           HA       ILE  10   8.530   2.080  -1.177
   80    HB   ILE  10           HB       ILE  10   6.594   3.088  -2.281
   81   1HG1  ILE  10          1HG1      ILE  10   6.411   0.209  -3.034
   82   2HG1  ILE  10          2HG1      ILE  10   6.775   0.601  -1.356
   83   1HG2  ILE  10          1HG2      ILE  10   7.982   2.596  -4.620
   84   2HG2  ILE  10          2HG2      ILE  10   6.645   1.446  -4.672
   85   3HG2  ILE  10          3HG2      ILE  10   6.320   3.170  -4.490
   86   1HD1  ILE  10          1HD1      ILE  10   4.749   1.968  -1.257
   87   2HD1  ILE  10          2HD1      ILE  10   4.373   1.505  -2.917
   88   3HD1  ILE  10          3HD1      ILE  10   4.409   0.282  -1.646
   89    H    THR  11           H        THR  11   9.217   0.039  -1.082
   90    HA   THR  11           HA       THR  11  10.239  -1.204  -3.550
   91    HB   THR  11           HB       THR  11  12.045  -0.526  -1.967
   92    HG1  THR  11           HG1      THR  11  13.139  -2.336  -2.340
   93   1HG2  THR  11          1HG2      THR  11  10.404  -1.470   0.019
   94   2HG2  THR  11          2HG2      THR  11  11.620  -2.736  -0.138
   95   3HG2  THR  11          3HG2      THR  11  12.113  -1.074   0.181
   96    H    CYS  12           H        CYS  12   8.854  -2.748  -4.119
   97    HA   CYS  12           HA       CYS  12   7.101  -4.045  -2.298
   98   1HB   CYS  12          1HB       CYS  12   7.788  -5.083  -5.040
   99   2HB   CYS  12          2HB       CYS  12   6.269  -5.228  -4.163
  100    H    SER  13           H        SER  13   9.132  -4.567  -0.906
  101    HA   SER  13           HA       SER  13  10.729  -6.796  -1.664
  102   1HB   SER  13          1HB       SER  13  10.175  -5.651   1.084
  103   2HB   SER  13          2HB       SER  13  11.447  -6.809   0.697
  104    HG   SER  13           HG       SER  13  12.195  -5.154  -0.840
  105    H    LYS  14           H        LYS  14   7.937  -6.440   0.510
  106    HA   LYS  14           HA       LYS  14   7.491  -9.340   0.252
  107   1HB   LYS  14          1HB       LYS  14   7.991  -7.880   2.608
  108   2HB   LYS  14          2HB       LYS  14   6.276  -8.269   2.632
  109   1HG   LYS  14          1HG       LYS  14   7.813  -9.929   3.740
  110   2HG   LYS  14          2HG       LYS  14   6.694 -10.585   2.544
  111   1HD   LYS  14          1HD       LYS  14   9.197  -9.759   1.340
  112   2HD   LYS  14          2HD       LYS  14   9.447 -10.948   2.619
  113   1HE   LYS  14          1HE       LYS  14   7.430 -11.298   0.414
  114   2HE   LYS  14          2HE       LYS  14   9.090 -11.877   0.298
  115   1HZ   LYS  14          1HZ       LYS  14   7.491 -12.637   2.637
  116   2HZ   LYS  14          2HZ       LYS  14   7.198 -13.422   1.167
  117   3HZ   LYS  14          3HZ       LYS  14   8.737 -13.482   1.867
  118    H    MET  15           H        MET  15   5.191  -9.976   0.645
  119    HA   MET  15           HA       MET  15   3.461  -8.184  -0.854
  120   1HB   MET  15          1HB       MET  15   3.287 -11.057  -0.004
  121   2HB   MET  15          2HB       MET  15   1.855 -10.209  -0.573
  122   1HG   MET  15          1HG       MET  15   3.096 -11.552  -2.291
  123   2HG   MET  15          2HG       MET  15   2.782  -9.869  -2.710
  124   1HE   MET  15          1HE       MET  15   4.123  -8.479  -3.575
  125   2HE   MET  15          2HE       MET  15   5.261  -7.895  -2.362
  126   3HE   MET  15          3HE       MET  15   5.859  -8.598  -3.863
  127    H    THR  16           H        THR  16   1.292  -7.685  -0.154
  128    HA   THR  16           HA       THR  16   1.155  -7.311   2.756
  129    HB   THR  16           HB       THR  16   1.066  -5.326   1.135
  130    HG1  THR  16           HG1      THR  16  -0.845  -4.480   2.389
  131   1HG2  THR  16          1HG2      THR  16  -0.808  -6.652  -0.214
  132   2HG2  THR  16          2HG2      THR  16  -1.843  -5.760   0.900
  133   3HG2  THR  16          3HG2      THR  16  -0.730  -4.891  -0.157
  134    H    SER  17           H        SER  17  -1.452  -6.889   3.212
  135    HA   SER  17           HA       SER  17  -2.647  -9.500   2.584
  136   1HB   SER  17          1HB       SER  17  -2.855  -7.645   4.926
  137   2HB   SER  17          2HB       SER  17  -4.192  -8.741   4.577
  138    HG   SER  17           HG       SER  17  -3.030 -10.356   5.258
  139    H    LYS  18           H        LYS  18  -5.016  -9.563   2.339
  140    HA   LYS  18           HA       LYS  18  -5.939  -8.023   0.258
  141   1HB   LYS  18          1HB       LYS  18  -6.966 -10.069   1.888
  142   2HB   LYS  18          2HB       LYS  18  -8.143  -8.766   1.967
  143   1HG   LYS  18          1HG       LYS  18  -7.656  -8.841  -0.692
  144   2HG   LYS  18          2HG       LYS  18  -7.432 -10.537  -0.260
  145   1HD   LYS  18          1HD       LYS  18  -9.824  -9.036   0.724
  146   2HD   LYS  18          2HD       LYS  18  -9.797  -9.687  -0.917
  147   1HE   LYS  18          1HE       LYS  18  -8.919 -11.577   1.137
  148   2HE   LYS  18          2HE       LYS  18 -10.593 -11.053   1.312
  149   1HZ   LYS  18          1HZ       LYS  18 -10.378 -11.564  -1.338
  150   2HZ   LYS  18          2HZ       LYS  18  -9.411 -12.774  -0.659
  151   3HZ   LYS  18          3HZ       LYS  18 -11.030 -12.621  -0.189
  152    H    ILE  19           H        ILE  19  -6.935  -6.098   0.017
  153    HA   ILE  19           HA       ILE  19  -7.681  -4.611   2.445
  154    HB   ILE  19           HB       ILE  19  -6.336  -3.294   0.093
  155   1HG1  ILE  19          1HG1      ILE  19  -5.075  -4.218   2.686
  156   2HG1  ILE  19          2HG1      ILE  19  -4.769  -4.904   1.093
  157   1HG2  ILE  19          1HG2      ILE  19  -7.273  -2.441   2.785
  158   2HG2  ILE  19          2HG2      ILE  19  -5.866  -1.644   2.085
  159   3HG2  ILE  19          3HG2      ILE  19  -7.409  -1.621   1.230
  160   1HD1  ILE  19          1HD1      ILE  19  -4.305  -2.091   1.008
  161   2HD1  ILE  19          2HD1      ILE  19  -3.420  -2.798   2.360
  162   3HD1  ILE  19          3HD1      ILE  19  -3.179  -3.420   0.729
  163    HA   PRO  20           HA       PRO  20 -11.626  -4.147   0.489
  164   1HB   PRO  20          1HB       PRO  20 -11.488  -1.517   1.888
  165   2HB   PRO  20          2HB       PRO  20 -12.784  -2.711   1.877
  166   1HG   PRO  20          1HG       PRO  20 -11.160  -2.453   3.972
  167   2HG   PRO  20          2HG       PRO  20 -11.746  -4.034   3.443
  168   1HD   PRO  20          1HD       PRO  20  -9.053  -2.825   3.156
  169   2HD   PRO  20          2HD       PRO  20  -9.512  -4.531   3.313
  170    H    VAL  21           H        VAL  21 -11.834  -3.624  -1.591
  171    HA   VAL  21           HA       VAL  21 -10.197  -1.833  -2.982
  172    HB   VAL  21           HB       VAL  21 -11.541  -3.671  -4.021
  173   1HG1  VAL  21          1HG1      VAL  21 -13.798  -1.716  -3.607
  174   2HG1  VAL  21          2HG1      VAL  21 -13.875  -3.116  -4.678
  175   3HG1  VAL  21          3HG1      VAL  21 -13.659  -3.345  -2.944
  176   1HG2  VAL  21          1HG2      VAL  21 -10.546  -1.551  -5.185
  177   2HG2  VAL  21          2HG2      VAL  21 -11.594  -2.651  -6.082
  178   3HG2  VAL  21          3HG2      VAL  21 -12.243  -1.141  -5.438
  179    H    ALA  22           H        ALA  22 -13.063  -1.314  -1.122
  180    HA   ALA  22           HA       ALA  22 -13.897   1.133  -2.275
  181   1HB   ALA  22          1HB       ALA  22 -14.340   0.049   0.504
  182   2HB   ALA  22          2HB       ALA  22 -15.181   1.431  -0.197
  183   3HB   ALA  22          3HB       ALA  22 -15.393  -0.175  -0.894
  184    H    LEU  23           H        LEU  23 -11.118   0.389  -0.587
  185    HA   LEU  23           HA       LEU  23 -10.851   3.097   0.515
  186   1HB   LEU  23          1HB       LEU  23  -9.014   0.759   0.992
  187   2HB   LEU  23          2HB       LEU  23  -9.090   2.261   1.893
  188    HG   LEU  23           HG       LEU  23 -11.418   0.361   1.826
  189   1HD1  LEU  23          1HD1      LEU  23  -9.403  -0.854   2.588
  190   2HD1  LEU  23          2HD1      LEU  23  -9.180   0.362   3.845
  191   3HD1  LEU  23          3HD1      LEU  23 -10.617  -0.663   3.852
  192   1HD2  LEU  23          1HD2      LEU  23 -10.765   2.874   3.122
  193   2HD2  LEU  23          2HD2      LEU  23 -12.322   2.066   2.938
  194   3HD2  LEU  23          3HD2      LEU  23 -11.256   1.629   4.273
  195    H    LEU  24           H        LEU  24  -9.821   1.062  -2.024
  196    HA   LEU  24           HA       LEU  24  -7.324   2.391  -2.537
  197   1HB   LEU  24          1HB       LEU  24  -8.965   0.541  -4.268
  198   2HB   LEU  24          2HB       LEU  24  -7.343   1.090  -4.640
  199    HG   LEU  24           HG       LEU  24  -8.129  -0.633  -2.287
  200   1HD1  LEU  24          1HD1      LEU  24  -6.629  -1.265  -4.825
  201   2HD1  LEU  24          2HD1      LEU  24  -6.809  -2.356  -3.450
  202   3HD1  LEU  24          3HD1      LEU  24  -8.228  -1.855  -4.369
  203   1HD2  LEU  24          1HD2      LEU  24  -5.619   0.769  -3.031
  204   2HD2  LEU  24          2HD2      LEU  24  -6.301   0.434  -1.440
  205   3HD2  LEU  24          3HD2      LEU  24  -5.495  -0.849  -2.341
  206    H    ILE  25           H        ILE  25  -7.022   4.222  -3.629
  207    HA   ILE  25           HA       ILE  25  -9.287   5.304  -5.168
  208    HB   ILE  25           HB       ILE  25  -7.962   7.516  -4.849
  209   1HG1  ILE  25          1HG1      ILE  25  -7.022   6.127  -2.352
  210   2HG1  ILE  25          2HG1      ILE  25  -6.025   6.142  -3.804
  211   1HG2  ILE  25          1HG2      ILE  25  -9.676   6.082  -2.876
  212   2HG2  ILE  25          2HG2      ILE  25  -9.010   7.660  -2.457
  213   3HG2  ILE  25          3HG2      ILE  25 -10.043   7.487  -3.877
  214   1HD1  ILE  25          1HD1      ILE  25  -7.091   8.721  -2.787
  215   2HD1  ILE  25          2HD1      ILE  25  -5.743   7.959  -1.943
  216   3HD1  ILE  25          3HD1      ILE  25  -5.593   8.375  -3.650
  217    H    HIS  26           H        HIS  26  -5.876   4.548  -5.234
  218    HA   HIS  26           HA       HIS  26  -5.893   4.883  -8.129
  219   1HB   HIS  26          1HB       HIS  26  -4.846   6.893  -6.549
  220   2HB   HIS  26          2HB       HIS  26  -3.426   5.941  -6.970
  221    HD1  HIS  26           HD1      HIS  26  -2.650   5.979  -9.411
  222    HD2  HIS  26           HD2      HIS  26  -6.097   8.194  -8.719
  223    HE1  HIS  26           HE1      HIS  26  -3.006   7.340 -11.497
  224    HE2  HIS  26           HE2      HIS  26  -5.140   8.613 -11.084
  225    H    TYR  27           H        TYR  27  -4.547   3.506  -9.202
  226    HA   TYR  27           HA       TYR  27  -2.888   1.717  -7.551
  227   1HB   TYR  27          1HB       TYR  27  -3.564  -0.158  -8.794
  228   2HB   TYR  27          2HB       TYR  27  -5.056   0.742  -8.541
  229    HD1  TYR  27           HD1      TYR  27  -2.469  -0.156 -11.014
  230    HD2  TYR  27           HD2      TYR  27  -6.255   1.700 -10.381
  231    HE1  TYR  27           HE1      TYR  27  -2.856  -0.128 -13.448
  232    HE2  TYR  27           HE2      TYR  27  -6.653   1.731 -12.812
  233    HH   TYR  27           HH       TYR  27  -4.176   0.628 -15.097
  234    H    GLN  28           H        GLN  28  -0.809   1.984  -7.993
  235    HA   GLN  28           HA       GLN  28  -0.039   2.831 -10.704
  236   1HB   GLN  28          1HB       GLN  28   1.885   2.996  -8.443
  237   2HB   GLN  28          2HB       GLN  28   1.674   4.068  -9.820
  238   1HG   GLN  28          1HG       GLN  28   0.958   5.367  -8.067
  239   2HG   GLN  28          2HG       GLN  28  -0.556   4.704  -8.679
  240   1HE2  GLN  28          2HE2      GLN  28   1.421   5.110  -5.993
  241   2HE2  GLN  28          1HE2      GLN  28   0.586   4.065  -4.900
  242    H    GLN  29           H        GLN  29   2.556   2.225 -10.820
  243    HA   GLN  29           HA       GLN  29   2.703  -0.683 -10.377
  244   1HB   GLN  29          1HB       GLN  29   2.454   0.504 -12.840
  245   2HB   GLN  29          2HB       GLN  29   4.197   0.332 -12.691
  246   1HG   GLN  29          1HG       GLN  29   4.098  -1.844 -13.092
  247   2HG   GLN  29          2HG       GLN  29   2.840  -2.079 -11.879
  248   1HE2  GLN  29          2HE2      GLN  29   2.408  -3.696 -13.744
  249   2HE2  GLN  29          1HE2      GLN  29   1.251  -3.170 -14.914
  250    H    ASN  30           H        ASN  30   4.645  -1.496  -9.697
  251    HA   ASN  30           HA       ASN  30   6.411   0.226  -8.348
  252   1HB   ASN  30          1HB       ASN  30   5.988  -2.215  -7.840
  253   2HB   ASN  30          2HB       ASN  30   7.027  -2.602  -9.210
  254   1HD2  ASN  30          2HD2      ASN  30   8.683  -3.532  -8.153
  255   2HD2  ASN  30          1HD2      ASN  30   9.685  -2.719  -7.006
  256    H    GLN  31           H        GLN  31   8.681   0.576  -8.733
  257    HA   GLN  31           HA       GLN  31   9.232   0.998 -11.566
  258   1HB   GLN  31          1HB       GLN  31  11.085   1.869  -9.384
  259   2HB   GLN  31          2HB       GLN  31  10.753   2.630 -10.934
  260   1HG   GLN  31          1HG       GLN  31   8.348   2.906  -9.837
  261   2HG   GLN  31          2HG       GLN  31   9.311   2.847  -8.362
  262   1HE2  GLN  31          2HE2      GLN  31   7.824   5.075  -9.288
  263   2HE2  GLN  31          1HE2      GLN  31   8.939   6.356  -9.604
  264    H    ALA  32           H        ALA  32  10.987   0.155 -12.645
  265    HA   ALA  32           HA       ALA  32  11.960  -2.362 -11.693
  266   1HB   ALA  32          1HB       ALA  32  12.216  -0.778 -14.188
  267   2HB   ALA  32          2HB       ALA  32  13.439  -2.007 -13.868
  268   3HB   ALA  32          3HB       ALA  32  11.738  -2.459 -13.956
  269    H    SER  33           H        SER  33  12.824  -0.970  -9.726
  270    HA   SER  33           HA       SER  33  15.587  -1.256  -9.661
  271   1HB   SER  33          1HB       SER  33  15.905   1.415  -9.373
  272   2HB   SER  33          2HB       SER  33  16.185   0.565 -10.892
  273    HG   SER  33           HG       SER  33  13.959   2.100 -10.102
  274    H    CYS  34           H        CYS  34  13.298  -1.768  -8.050
  275    HA   CYS  34           HA       CYS  34  14.137  -0.397  -5.592
  276   1HB   CYS  34          1HB       CYS  34  11.289  -0.839  -6.508
  277   2HB   CYS  34          2HB       CYS  34  11.730  -0.375  -4.868
  278    H    GLY  35           H        GLY  35  11.423  -2.596  -5.888
  279   1HA   GLY  35          1HA       GLY  35  13.027  -4.657  -4.503
  280   2HA   GLY  35          2HA       GLY  35  11.358  -4.306  -4.079
  281    H    LYS  36           H        LYS  36   9.912  -5.674  -4.866
  282    HA   LYS  36           HA       LYS  36  10.657  -7.357  -7.145
  283   1HB   LYS  36          1HB       LYS  36   8.387  -7.642  -5.168
  284   2HB   LYS  36          2HB       LYS  36   8.781  -8.789  -6.440
  285   1HG   LYS  36          1HG       LYS  36  11.041  -8.186  -4.707
  286   2HG   LYS  36          2HG       LYS  36   9.667  -8.891  -3.853
  287   1HD   LYS  36          1HD       LYS  36   9.719 -10.518  -5.970
  288   2HD   LYS  36          2HD       LYS  36  11.427 -10.070  -5.923
  289   1HE   LYS  36          1HE       LYS  36   9.794 -11.541  -3.900
  290   2HE   LYS  36          2HE       LYS  36  11.373 -11.944  -4.572
  291   1HZ   LYS  36          1HZ       LYS  36  12.113  -9.807  -3.363
  292   2HZ   LYS  36          2HZ       LYS  36  10.701 -10.013  -2.453
  293   3HZ   LYS  36          3HZ       LYS  36  11.886 -11.220  -2.461
  294    H    ARG  37           H        ARG  37   9.466  -7.467  -9.009
  295    HA   ARG  37           HA       ARG  37   8.056  -5.183  -9.830
  296   1HB   ARG  37          1HB       ARG  37   7.384  -6.620 -11.796
  297   2HB   ARG  37          2HB       ARG  37   9.113  -6.505 -11.499
  298   1HG   ARG  37          1HG       ARG  37   9.173  -8.684 -10.542
  299   2HG   ARG  37          2HG       ARG  37   7.411  -8.792 -10.539
  300   1HD   ARG  37          1HD       ARG  37   7.352  -9.468 -12.665
  301   2HD   ARG  37          2HD       ARG  37   8.483  -8.216 -13.177
  302    HE   ARG  37           HE       ARG  37  10.184  -9.747 -13.053
  303   1HH1  ARG  37          1HH1      ARG  37   7.389 -10.996 -11.391
  304   2HH1  ARG  37          2HH1      ARG  37   8.066 -12.574 -11.168
  305   1HH2  ARG  37          1HH2      ARG  37  11.085 -11.823 -12.763
  306   2HH2  ARG  37          2HH2      ARG  37  10.168 -13.044 -11.947
  307    H    ALA  38           H        ALA  38   6.386  -4.758  -8.383
  308    HA   ALA  38           HA       ALA  38   4.071  -6.563  -8.625
  309   1HB   ALA  38          1HB       ALA  38   5.378  -6.407  -6.338
  310   2HB   ALA  38          2HB       ALA  38   4.398  -4.954  -6.147
  311   3HB   ALA  38          3HB       ALA  38   3.618  -6.517  -6.387
  312    H    ILE  39           H        ILE  39   2.271  -4.980  -7.201
  313    HA   ILE  39           HA       ILE  39   2.040  -2.634  -8.971
  314    HB   ILE  39           HB       ILE  39  -0.152  -4.271  -7.695
  315   1HG1  ILE  39          1HG1      ILE  39   1.138  -5.154  -9.752
  316   2HG1  ILE  39          2HG1      ILE  39  -0.621  -5.135  -9.823
  317   1HG2  ILE  39          1HG2      ILE  39  -0.288  -1.799  -9.410
  318   2HG2  ILE  39          2HG2      ILE  39  -1.671  -2.827  -9.034
  319   3HG2  ILE  39          3HG2      ILE  39  -0.830  -1.974  -7.740
  320   1HD1  ILE  39          1HD1      ILE  39  -0.544  -3.067 -11.113
  321   2HD1  ILE  39          2HD1      ILE  39   1.219  -3.091 -11.044
  322   3HD1  ILE  39          3HD1      ILE  39   0.352  -4.364 -11.904
  323    H    ILE  40           H        ILE  40   1.112  -0.708  -8.096
  324    HA   ILE  40           HA       ILE  40   1.567  -0.451  -5.204
  325    HB   ILE  40           HB       ILE  40   1.255   1.899  -7.032
  326   1HG1  ILE  40          1HG1      ILE  40   2.908   0.426  -8.114
  327   2HG1  ILE  40          2HG1      ILE  40   3.661   1.885  -7.479
  328   1HG2  ILE  40          1HG2      ILE  40   1.315   2.274  -4.626
  329   2HG2  ILE  40          2HG2      ILE  40   2.860   1.429  -4.524
  330   3HG2  ILE  40          3HG2      ILE  40   2.746   2.952  -5.405
  331   1HD1  ILE  40          1HD1      ILE  40   3.848   0.035  -5.416
  332   2HD1  ILE  40          2HD1      ILE  40   4.212  -0.871  -6.885
  333   3HD1  ILE  40          3HD1      ILE  40   5.139   0.576  -6.489
  334    H    LEU  41           H        LEU  41  -0.116  -0.162  -3.894
  335    HA   LEU  41           HA       LEU  41  -2.676   0.671  -5.084
  336   1HB   LEU  41          1HB       LEU  41  -2.052  -1.171  -2.792
  337   2HB   LEU  41          2HB       LEU  41  -3.648  -0.476  -3.010
  338    HG   LEU  41           HG       LEU  41  -2.234  -2.513  -4.682
  339   1HD1  LEU  41          1HD1      LEU  41  -4.347  -2.520  -2.837
  340   2HD1  LEU  41          2HD1      LEU  41  -5.073  -2.782  -4.423
  341   3HD1  LEU  41          3HD1      LEU  41  -3.792  -3.851  -3.851
  342   1HD2  LEU  41          1HD2      LEU  41  -4.482  -0.736  -5.620
  343   2HD2  LEU  41          2HD2      LEU  41  -2.841  -0.777  -6.264
  344   3HD2  LEU  41          3HD2      LEU  41  -3.897  -2.176  -6.455
  345    H    GLU  42           H        GLU  42  -3.229   2.676  -4.599
  346    HA   GLU  42           HA       GLU  42  -2.312   3.833  -2.055
  347   1HB   GLU  42          1HB       GLU  42  -1.575   5.020  -4.077
  348   2HB   GLU  42          2HB       GLU  42  -3.250   5.216  -4.575
  349   1HG   GLU  42          1HG       GLU  42  -3.480   6.381  -2.240
  350   2HG   GLU  42          2HG       GLU  42  -1.739   6.590  -2.414
  351    H    THR  43           H        THR  43  -3.747   4.347  -0.521
  352    HA   THR  43           HA       THR  43  -6.599   4.099  -1.183
  353    HB   THR  43           HB       THR  43  -6.992   3.587   1.122
  354    HG1  THR  43           HG1      THR  43  -5.638   4.076   2.672
  355   1HG2  THR  43          1HG2      THR  43  -4.555   2.171   0.091
  356   2HG2  THR  43          2HG2      THR  43  -5.386   1.712   1.578
  357   3HG2  THR  43          3HG2      THR  43  -6.236   1.639   0.034
  358    H    ARG  44           H        ARG  44  -8.072   5.503   0.152
  359    HA   ARG  44           HA       ARG  44  -7.517   8.214  -0.349
  360   1HB   ARG  44          1HB       ARG  44  -9.564   7.446   1.682
  361   2HB   ARG  44          2HB       ARG  44  -9.654   8.646   0.401
  362   1HG   ARG  44          1HG       ARG  44 -10.953   7.156  -0.633
  363   2HG   ARG  44          2HG       ARG  44  -9.440   6.339  -1.029
  364   1HD   ARG  44          1HD       ARG  44 -11.357   4.977   0.042
  365   2HD   ARG  44          2HD       ARG  44  -9.714   4.751   0.639
  366    HE   ARG  44           HE       ARG  44 -10.378   5.590   2.657
  367   1HH1  ARG  44          1HH1      ARG  44 -12.734   6.453   0.244
  368   2HH1  ARG  44          2HH1      ARG  44 -13.854   7.118   1.386
  369   1HH2  ARG  44          1HH2      ARG  44 -11.846   6.462   4.172
  370   2HH2  ARG  44          2HH2      ARG  44 -13.349   7.122   3.620
  371    H    GLN  45           H        GLN  45  -6.453   6.223   2.136
  372    HA   GLN  45           HA       GLN  45  -6.088   8.475   3.988
  373   1HB   GLN  45          1HB       GLN  45  -5.703   5.520   4.499
  374   2HB   GLN  45          2HB       GLN  45  -5.620   6.804   5.697
  375   1HG   GLN  45          1HG       GLN  45  -7.921   7.192   5.614
  376   2HG   GLN  45          2HG       GLN  45  -8.101   6.322   4.091
  377   1HE2  GLN  45          2HE2      GLN  45  -9.381   6.022   6.770
  378   2HE2  GLN  45          1HE2      GLN  45  -9.166   4.358   7.178
  379    H    HIS  46           H        HIS  46  -4.531   7.792   1.488
  380    HA   HIS  46           HA       HIS  46  -2.376   7.933   0.773
  381   1HB   HIS  46          1HB       HIS  46  -1.552   8.583   3.594
  382   2HB   HIS  46          2HB       HIS  46  -0.810   9.114   2.089
  383    HD1  HIS  46           HD1      HIS  46  -3.171  10.318   0.623
  384    HD2  HIS  46           HD2      HIS  46  -2.491  10.876   4.684
  385    HE1  HIS  46           HE1      HIS  46  -4.384  12.438   1.222
  386    HE2  HIS  46           HE2      HIS  46  -3.877  12.805   3.663
  387    H    ARG  47           H        ARG  47  -3.258   5.406   1.318
  388    HA   ARG  47           HA       ARG  47  -1.035   4.108   2.735
  389   1HB   ARG  47          1HB       ARG  47  -3.433   3.604   3.387
  390   2HB   ARG  47          2HB       ARG  47  -3.600   2.811   1.826
  391   1HG   ARG  47          1HG       ARG  47  -1.308   1.698   2.884
  392   2HG   ARG  47          2HG       ARG  47  -2.385   1.855   4.273
  393   1HD   ARG  47          1HD       ARG  47  -4.169   0.802   2.766
  394   2HD   ARG  47          2HD       ARG  47  -2.829   0.352   1.711
  395    HE   ARG  47           HE       ARG  47  -2.203  -1.251   3.232
  396   1HH1  ARG  47          1HH1      ARG  47  -4.536   0.888   4.684
  397   2HH1  ARG  47          2HH1      ARG  47  -4.747  -0.092   6.096
  398   1HH2  ARG  47          1HH2      ARG  47  -2.475  -2.550   5.088
  399   2HH2  ARG  47          2HH2      ARG  47  -3.576  -2.045   6.327
  400    H    LEU  48           H        LEU  48   0.594   3.655   1.402
  401    HA   LEU  48           HA       LEU  48  -0.038   2.605  -1.276
  402   1HB   LEU  48          1HB       LEU  48   2.706   3.514  -0.583
  403   2HB   LEU  48          2HB       LEU  48   1.856   3.588  -2.115
  404    HG   LEU  48           HG       LEU  48   1.615   5.451   0.233
  405   1HD1  LEU  48          1HD1      LEU  48   3.366   5.681  -1.639
  406   2HD1  LEU  48          2HD1      LEU  48   2.002   6.156  -2.651
  407   3HD1  LEU  48          3HD1      LEU  48   2.401   7.093  -1.211
  408   1HD2  LEU  48          1HD2      LEU  48  -0.363   4.809  -1.869
  409   2HD2  LEU  48          2HD2      LEU  48  -0.599   5.430  -0.234
  410   3HD2  LEU  48          3HD2      LEU  48  -0.093   6.518  -1.526
  411    H    PHE  49           H        PHE  49  -0.041   0.447  -1.202
  412    HA   PHE  49           HA       PHE  49   2.239  -0.884   0.106
  413   1HB   PHE  49          1HB       PHE  49  -0.679  -1.566   0.147
  414   2HB   PHE  49          2HB       PHE  49   0.517  -2.850   0.288
  415    HD1  PHE  49           HD1      PHE  49  -0.726   0.264   1.840
  416    HD2  PHE  49           HD2      PHE  49   1.674  -3.231   2.310
  417    HE1  PHE  49           HE1      PHE  49  -0.520   0.734   4.253
  418    HE2  PHE  49           HE2      PHE  49   1.883  -2.766   4.722
  419    HZ   PHE  49           HZ       PHE  49   0.785  -0.783   5.695
  420    H    CYS  50           H        CYS  50   3.120  -2.679  -0.935
  421    HA   CYS  50           HA       CYS  50   2.616  -2.749  -3.802
  422   1HB   CYS  50          1HB       CYS  50   4.835  -3.639  -2.016
  423   2HB   CYS  50          2HB       CYS  50   4.646  -4.438  -3.573
  424    H    ALA  51           H        ALA  51   1.093  -4.080  -4.511
  425    HA   ALA  51           HA       ALA  51   0.763  -6.685  -3.176
  426   1HB   ALA  51          1HB       ALA  51  -1.171  -5.017  -3.206
  427   2HB   ALA  51          2HB       ALA  51  -1.303  -5.387  -4.926
  428   3HB   ALA  51          3HB       ALA  51  -1.514  -6.667  -3.729
  429    H    ASP  52           H        ASP  52   0.684  -8.554  -4.389
  430    HA   ASP  52           HA       ASP  52   1.944  -8.402  -6.989
  431   1HB   ASP  52          1HB       ASP  52   1.282 -10.614  -5.078
  432   2HB   ASP  52          2HB       ASP  52   1.656 -10.999  -6.756
  433    HA   PRO  53           HA       PRO  53  -1.841  -8.265  -9.320
  434   1HB   PRO  53          1HB       PRO  53  -0.107  -9.700 -11.282
  435   2HB   PRO  53          2HB       PRO  53  -1.136  -8.282 -11.517
  436   1HG   PRO  53          1HG       PRO  53   1.508  -8.025 -11.320
  437   2HG   PRO  53          2HG       PRO  53   0.418  -6.835 -10.584
  438   1HD   PRO  53          1HD       PRO  53   2.027  -8.986  -9.294
  439   2HD   PRO  53          2HD       PRO  53   1.588  -7.379  -8.681
  440    H    LYS  54           H        LYS  54   0.014 -11.105  -8.595
  441    HA   LYS  54           HA       LYS  54  -1.634 -13.066  -9.753
  442   1HB   LYS  54          1HB       LYS  54  -0.430 -14.636  -8.502
  443   2HB   LYS  54          2HB       LYS  54   0.712 -13.320  -8.736
  444   1HG   LYS  54          1HG       LYS  54   0.211 -12.492  -6.487
  445   2HG   LYS  54          2HG       LYS  54  -0.916 -13.830  -6.254
  446   1HD   LYS  54          1HD       LYS  54   1.690 -14.741  -7.149
  447   2HD   LYS  54          2HD       LYS  54   1.792 -13.820  -5.647
  448   1HE   LYS  54          1HE       LYS  54   1.107 -15.619  -4.541
  449   2HE   LYS  54          2HE       LYS  54  -0.434 -15.522  -5.392
  450   1HZ   LYS  54          1HZ       LYS  54   0.944 -16.736  -7.243
  451   2HZ   LYS  54          2HZ       LYS  54   1.883 -17.233  -5.927
  452   3HZ   LYS  54          3HZ       LYS  54   0.233 -17.604  -5.977
  453    H    GLU  55           H        GLU  55  -1.846 -11.296  -6.738
  454    HA   GLU  55           HA       GLU  55  -3.849 -12.938  -5.552
  455   1HB   GLU  55          1HB       GLU  55  -3.355 -10.026  -4.939
  456   2HB   GLU  55          2HB       GLU  55  -4.022 -11.256  -3.874
  457   1HG   GLU  55          1HG       GLU  55  -1.898 -12.353  -3.712
  458   2HG   GLU  55          2HG       GLU  55  -1.205 -11.281  -4.928
  459    H    GLN  56           H        GLN  56  -6.018 -12.871  -5.716
  460    HA   GLN  56           HA       GLN  56  -7.252 -11.677  -7.920
  461   1HB   GLN  56          1HB       GLN  56  -8.045 -13.659  -6.499
  462   2HB   GLN  56          2HB       GLN  56  -8.728 -12.455  -5.415
  463   1HG   GLN  56          1HG       GLN  56  -9.488 -13.078  -8.242
  464   2HG   GLN  56          2HG       GLN  56 -10.497 -13.075  -6.796
  465   1HE2  GLN  56          2HE2      GLN  56  -8.949 -11.122  -9.222
  466   2HE2  GLN  56          1HE2      GLN  56  -9.808  -9.661  -8.888
  467    H    TRP  57           H        TRP  57  -7.420 -10.734  -4.480
  468    HA   TRP  57           HA       TRP  57  -9.094  -8.571  -4.680
  469   1HB   TRP  57          1HB       TRP  57  -8.359  -7.926  -2.585
  470   2HB   TRP  57          2HB       TRP  57  -7.855  -9.612  -2.620
  471    HD1  TRP  57           HD1      TRP  57  -5.190 -10.069  -3.023
  472    HE1  TRP  57           HE1      TRP  57  -3.148  -8.622  -2.424
  473    HE3  TRP  57           HE3      TRP  57  -7.547  -5.575  -2.369
  474    HZ2  TRP  57           HZ2      TRP  57  -2.607  -5.925  -1.760
  475    HZ3  TRP  57           HZ3      TRP  57  -6.198  -3.608  -1.752
  476    HH2  TRP  57           HH2      TRP  57  -3.776  -3.782  -1.453
  477    H    VAL  58           H        VAL  58  -5.908  -8.877  -5.940
  478    HA   VAL  58           HA       VAL  58  -5.520  -6.012  -6.228
  479    HB   VAL  58           HB       VAL  58  -3.842  -8.327  -7.205
  480   1HG1  VAL  58          1HG1      VAL  58  -3.258  -5.368  -7.179
  481   2HG1  VAL  58          2HG1      VAL  58  -2.098  -6.636  -7.582
  482   3HG1  VAL  58          3HG1      VAL  58  -3.510  -6.375  -8.605
  483   1HG2  VAL  58          1HG2      VAL  58  -3.506  -6.480  -4.844
  484   2HG2  VAL  58          2HG2      VAL  58  -3.893  -8.201  -4.786
  485   3HG2  VAL  58          3HG2      VAL  58  -2.320  -7.669  -5.381
  486    H    LYS  59           H        LYS  59  -6.069  -8.836  -8.309
  487    HA   LYS  59           HA       LYS  59  -6.033  -7.422 -10.754
  488   1HB   LYS  59          1HB       LYS  59  -7.640  -9.923 -10.271
  489   2HB   LYS  59          2HB       LYS  59  -6.856  -9.399 -11.754
  490   1HG   LYS  59          1HG       LYS  59  -4.667  -9.779 -10.722
  491   2HG   LYS  59          2HG       LYS  59  -5.470 -10.336  -9.252
  492   1HD   LYS  59          1HD       LYS  59  -6.673 -11.988 -10.860
  493   2HD   LYS  59          2HD       LYS  59  -5.322 -11.635 -11.939
  494   1HE   LYS  59          1HE       LYS  59  -3.908 -12.879 -10.740
  495   2HE   LYS  59          2HE       LYS  59  -4.465 -12.187  -9.217
  496   1HZ   LYS  59          1HZ       LYS  59  -6.519 -13.712  -9.704
  497   2HZ   LYS  59          2HZ       LYS  59  -5.394 -14.584 -10.620
  498   3HZ   LYS  59          3HZ       LYS  59  -5.130 -14.336  -8.968
  499    H    ASP  60           H        ASP  60  -8.630  -8.287  -8.513
  500    HA   ASP  60           HA       ASP  60 -10.700  -7.164 -10.149
  501   1HB   ASP  60          1HB       ASP  60 -11.462  -8.844  -8.683
  502   2HB   ASP  60          2HB       ASP  60 -10.593  -8.165  -7.311
  503    H    ALA  61           H        ALA  61  -8.923  -6.149  -7.255
  504    HA   ALA  61           HA       ALA  61 -10.230  -3.797  -6.706
  505   1HB   ALA  61          1HB       ALA  61  -7.380  -4.640  -6.368
  506   2HB   ALA  61          2HB       ALA  61  -7.887  -3.009  -5.932
  507   3HB   ALA  61          3HB       ALA  61  -8.626  -4.401  -5.142
  508    H    MET  62           H        MET  62  -7.511  -4.301  -8.937
  509    HA   MET  62           HA       MET  62  -7.370  -1.617  -9.819
  510   1HB   MET  62          1HB       MET  62  -6.348  -4.224 -10.906
  511   2HB   MET  62          2HB       MET  62  -6.180  -2.739 -11.833
  512   1HG   MET  62          1HG       MET  62  -4.567  -1.926 -10.498
  513   2HG   MET  62          2HG       MET  62  -5.294  -2.589  -9.036
  514   1HE   MET  62          1HE       MET  62  -4.418  -4.121 -12.362
  515   2HE   MET  62          2HE       MET  62  -3.265  -5.406 -12.002
  516   3HE   MET  62          3HE       MET  62  -4.961  -5.592 -11.554
  517    H    GLN  63           H        GLN  63  -8.771  -4.516 -11.355
  518    HA   GLN  63           HA       GLN  63  -9.776  -3.444 -13.649
  519   1HB   GLN  63          1HB       GLN  63 -10.016  -5.809 -13.092
  520   2HB   GLN  63          2HB       GLN  63 -11.155  -5.415 -11.812
  521   1HG   GLN  63          1HG       GLN  63 -12.231  -4.243 -14.085
  522   2HG   GLN  63          2HG       GLN  63 -11.606  -5.796 -14.636
  523   1HE2  GLN  63          2HE2      GLN  63 -13.385  -6.991 -14.852
  524   2HE2  GLN  63          1HE2      GLN  63 -14.537  -7.296 -13.601
  525    H    HIS  64           H        HIS  64 -10.828  -2.907 -10.394
  526    HA   HIS  64           HA       HIS  64 -13.330  -1.688 -11.062
  527   1HB   HIS  64          1HB       HIS  64 -12.863  -2.759  -8.857
  528   2HB   HIS  64          2HB       HIS  64 -11.736  -1.455  -8.502
  529    HD1  HIS  64           HD1      HIS  64 -15.406  -1.739  -9.494
  530    HD2  HIS  64           HD2      HIS  64 -12.893   0.515  -7.071
  531    HE1  HIS  64           HE1      HIS  64 -16.908  -0.129  -8.282
  532    HE2  HIS  64           HE2      HIS  64 -15.355   1.288  -6.894
  533    H    LEU  65           H        LEU  65 -10.298  -0.371  -9.724
  534    HA   LEU  65           HA       LEU  65 -10.964   2.326 -10.023
  535   1HB   LEU  65          1HB       LEU  65  -8.367   0.846  -9.825
  536   2HB   LEU  65          2HB       LEU  65  -8.373   2.573 -10.128
  537    HG   LEU  65           HG       LEU  65  -9.573   1.199  -7.723
  538   1HD1  LEU  65          1HD1      LEU  65  -6.960   1.598  -8.145
  539   2HD1  LEU  65          2HD1      LEU  65  -7.393   3.178  -7.489
  540   3HD1  LEU  65          3HD1      LEU  65  -7.711   1.717  -6.552
  541   1HD2  LEU  65          1HD2      LEU  65  -9.765   3.954  -8.785
  542   2HD2  LEU  65          2HD2      LEU  65 -10.904   3.031  -7.806
  543   3HD2  LEU  65          3HD2      LEU  65  -9.500   3.783  -7.050
  544    H    ASP  66           H        ASP  66 -10.031  -0.014 -12.354
  545    HA   ASP  66           HA       ASP  66  -8.813   1.522 -14.318
  546   1HB   ASP  66          1HB       ASP  66 -10.438  -0.977 -14.325
  547   2HB   ASP  66          2HB       ASP  66 -10.129  -0.193 -15.870
  548    H    ARG  67           H        ARG  67 -12.159   1.351 -13.366
  549    HA   ARG  67           HA       ARG  67 -12.923   3.066 -15.625
  550   1HB   ARG  67          1HB       ARG  67 -14.763   1.693 -13.664
  551   2HB   ARG  67          2HB       ARG  67 -15.199   2.442 -15.195
  552   1HG   ARG  67          1HG       ARG  67 -14.953   0.489 -16.199
  553   2HG   ARG  67          2HG       ARG  67 -13.244   0.486 -15.757
  554   1HD   ARG  67          1HD       ARG  67 -13.654  -1.285 -14.479
  555   2HD   ARG  67          2HD       ARG  67 -14.600  -0.232 -13.428
  556    HE   ARG  67           HE       ARG  67 -16.094  -1.207 -15.670
  557   1HH1  ARG  67          1HH1      ARG  67 -14.983  -1.958 -12.457
  558   2HH1  ARG  67          2HH1      ARG  67 -16.262  -3.081 -12.136
  559   1HH2  ARG  67          1HH2      ARG  67 -17.782  -2.682 -15.261
  560   2HH2  ARG  67          2HH2      ARG  67 -17.855  -3.494 -13.732
  561    H    GLN  68           H        GLN  68 -11.659   3.579 -12.770
  562    HA   GLN  68           HA       GLN  68 -13.372   5.905 -12.194
  563   1HB   GLN  68          1HB       GLN  68 -12.121   3.921 -10.332
  564   2HB   GLN  68          2HB       GLN  68 -12.357   5.577  -9.793
  565   1HG   GLN  68          1HG       GLN  68 -14.347   4.821  -9.115
  566   2HG   GLN  68          2HG       GLN  68 -14.799   5.038 -10.806
  567   1HE2  GLN  68          2HE2      GLN  68 -12.889   2.578  -9.108
  568   2HE2  GLN  68          1HE2      GLN  68 -13.822   1.230  -9.655
  569    H    ALA  69           H        ALA  69 -10.112   4.547 -12.128
  570    HA   ALA  69           HA       ALA  69  -8.667   6.737 -11.262
  571   1HB   ALA  69          1HB       ALA  69  -8.065   4.408 -13.002
  572   2HB   ALA  69          2HB       ALA  69  -6.906   5.737 -12.971
  573   3HB   ALA  69          3HB       ALA  69  -7.332   4.904 -11.476
  574    H    ALA  70           H        ALA  70 -10.315   6.264 -14.263
  575    HA   ALA  70           HA       ALA  70  -8.929   7.995 -15.947
  576   1HB   ALA  70          1HB       ALA  70 -11.570   6.759 -15.889
  577   2HB   ALA  70          2HB       ALA  70 -11.541   8.315 -16.719
  578   3HB   ALA  70          3HB       ALA  70 -10.467   7.016 -17.241
  579    H    ALA  71           H        ALA  71 -11.786   8.710 -13.937
  580    HA   ALA  71           HA       ALA  71 -11.475  11.540 -14.391
  581   1HB   ALA  71          1HB       ALA  71 -13.610   9.837 -13.682
  582   2HB   ALA  71          2HB       ALA  71 -13.397  10.989 -12.362
  583   3HB   ALA  71          3HB       ALA  71 -13.658  11.571 -14.006
  584    H    LEU  72           H        LEU  72  -9.585   9.734 -12.725
  585    HA   LEU  72           HA       LEU  72  -8.138  10.127 -11.007
  586   1HB   LEU  72          1HB       LEU  72  -9.376  12.707 -11.448
  587   2HB   LEU  72          2HB       LEU  72  -9.011  12.465  -9.751
  588    HG   LEU  72           HG       LEU  72  -7.259  13.561 -11.388
  589   1HD1  LEU  72          1HD1      LEU  72  -6.921  11.756  -9.064
  590   2HD1  LEU  72          2HD1      LEU  72  -5.471  12.218  -9.952
  591   3HD1  LEU  72          3HD1      LEU  72  -6.507  13.460  -9.249
  592   1HD2  LEU  72          1HD2      LEU  72  -7.438  11.367 -12.793
  593   2HD2  LEU  72          2HD2      LEU  72  -5.877  12.155 -12.568
  594   3HD2  LEU  72          3HD2      LEU  72  -6.301  10.745 -11.597
  595    H    THR  73           H        THR  73 -10.879  11.841  -9.574
  596    HA   THR  73           HA       THR  73 -10.794  10.163  -7.250
  597    HB   THR  73           HB       THR  73 -11.315  12.498  -6.962
  598    HG1  THR  73           HG1      THR  73 -12.637  11.971  -5.443
  599   1HG2  THR  73          1HG2      THR  73 -12.369  12.896  -9.165
  600   2HG2  THR  73          2HG2      THR  73 -13.813  12.071  -8.579
  601   3HG2  THR  73          3HG2      THR  73 -13.278  13.566  -7.811
  602    H    ARG  74           H        ARG  74 -13.082  10.662  -9.914
  603    HA   ARG  74           HA       ARG  74 -13.896   8.131 -10.342
  604   1HB   ARG  74          1HB       ARG  74 -14.946   9.101  -7.782
  605   2HB   ARG  74          2HB       ARG  74 -16.188   8.477  -8.858
  606   1HG   ARG  74          1HG       ARG  74 -15.542   6.361  -8.563
  607   2HG   ARG  74          2HG       ARG  74 -13.829   6.769  -8.684
  608   1HD   ARG  74          1HD       ARG  74 -13.912   6.122  -6.498
  609   2HD   ARG  74          2HD       ARG  74 -14.277   7.838  -6.313
  610    HE   ARG  74           HE       ARG  74 -16.451   7.298  -5.740
  611   1HH1  ARG  74          1HH1      ARG  74 -14.736   4.468  -6.823
  612   2HH1  ARG  74          2HH1      ARG  74 -15.948   3.361  -6.268
  613   1HH2  ARG  74          1HH2      ARG  74 -18.052   5.850  -5.002
  614   2HH2  ARG  74          2HH2      ARG  74 -17.834   4.148  -5.231
  615    H    ASN  75           H        ASN  75 -16.294  10.491  -9.267
  616    HA   ASN  75           HA       ASN  75 -17.081  10.849 -12.080
  617   1HB   ASN  75          1HB       ASN  75 -18.590  10.319  -9.670
  618   2HB   ASN  75          2HB       ASN  75 -19.148  11.803 -10.437
  619   1HD2  ASN  75          2HD2      ASN  75 -17.766   9.007 -12.052
  620   2HD2  ASN  75          1HD2      ASN  75 -19.193   8.576 -12.927
  621    H    GLY  76           H        GLY  76 -16.294  12.687 -12.880
  622   1HA   GLY  76          1HA       GLY  76 -16.930  15.158 -12.698
  623   2HA   GLY  76          2HA       GLY  76 -16.173  15.046 -11.115
  Start of MODEL   10
    1   2H    MET   0          2H        MET   0  21.994   7.409   0.905
    2   3H    MET   0          3H        MET   0  21.419   8.484   2.115
    3   1H    MET   0          1H        MET   0  22.939   8.763   1.375
    4    HA   MET   0           HA       MET   0  22.210   7.038   3.527
    5   1HB   MET   0          1HB       MET   0  22.500   5.496   1.535
    6   2HB   MET   0          2HB       MET   0  24.167   6.046   1.452
    7   1HG   MET   0          1HG       MET   0  23.944   5.323   4.071
    8   2HG   MET   0          2HG       MET   0  22.897   4.152   3.273
    9   1HE   MET   0          1HE       MET   0  24.251   2.412   4.262
   10   2HE   MET   0          2HE       MET   0  24.177   1.718   2.641
   11   3HE   MET   0          3HE       MET   0  25.705   1.740   3.523
   12    H    GLN   1           H        GLN   1  23.226   9.699   3.147
   13    HA   GLN   1           HA       GLN   1  25.957   9.369   4.207
   14   1HB   GLN   1          1HB       GLN   1  24.975  11.886   2.885
   15   2HB   GLN   1          2HB       GLN   1  26.632  11.379   3.184
   16   1HG   GLN   1          1HG       GLN   1  26.075   9.439   1.569
   17   2HG   GLN   1          2HG       GLN   1  24.731  10.466   1.071
   18   1HE2  GLN   1          2HE2      GLN   1  25.667  12.917   0.985
   19   2HE2  GLN   1          1HE2      GLN   1  27.007  13.065  -0.095
   20    H    HIS   2           H        HIS   2  22.830  10.850   4.584
   21    HA   HIS   2           HA       HIS   2  23.588  11.666   7.290
   22   1HB   HIS   2          1HB       HIS   2  23.638  13.604   5.544
   23   2HB   HIS   2          2HB       HIS   2  21.884  13.509   5.647
   24    HD1  HIS   2           HD1      HIS   2  24.459  13.324   8.438
   25    HD2  HIS   2           HD2      HIS   2  21.216  15.615   7.214
   26    HE1  HIS   2           HE1      HIS   2  24.089  15.003  10.275
   27    HE2  HIS   2           HE2      HIS   2  22.067  16.320   9.551
   28    H    HIS   3           H        HIS   3  21.538  12.391   8.517
   29    HA   HIS   3           HA       HIS   3  19.673  11.523   9.539
   30   1HB   HIS   3          1HB       HIS   3  18.950  12.349   6.784
   31   2HB   HIS   3          2HB       HIS   3  17.746  11.416   7.666
   32    HD1  HIS   3           HD1      HIS   3  18.974  14.791   7.225
   33    HD2  HIS   3           HD2      HIS   3  17.054  12.676  10.243
   34    HE1  HIS   3           HE1      HIS   3  18.020  16.535   8.767
   35    HE2  HIS   3           HE2      HIS   3  16.932  15.231  10.627
   36    H    GLY   4           H        GLY   4  18.739  10.100   6.480
   37   1HA   GLY   4          1HA       GLY   4  19.698   7.478   7.033
   38   2HA   GLY   4          2HA       GLY   4  18.014   7.638   7.509
   39    H    VAL   5           H        VAL   5  18.662   5.813   5.612
   40    HA   VAL   5           HA       VAL   5  17.606   7.044   3.152
   41    HB   VAL   5           HB       VAL   5  20.005   6.340   2.944
   42   1HG1  VAL   5          1HG1      VAL   5  19.077   4.033   4.231
   43   2HG1  VAL   5          2HG1      VAL   5  19.487   3.536   2.589
   44   3HG1  VAL   5          3HG1      VAL   5  20.695   4.332   3.597
   45   1HG2  VAL   5          1HG2      VAL   5  17.800   5.802   1.208
   46   2HG2  VAL   5          2HG2      VAL   5  19.451   6.264   0.796
   47   3HG2  VAL   5          3HG2      VAL   5  19.032   4.561   0.987
   48    H    THR   6           H        THR   6  15.969   5.982   2.116
   49    HA   THR   6           HA       THR   6  14.861   3.654   3.527
   50    HB   THR   6           HB       THR   6  13.376   5.582   3.484
   51    HG1  THR   6           HG1      THR   6  11.595   4.563   2.520
   52   1HG2  THR   6          1HG2      THR   6  14.362   6.406   1.219
   53   2HG2  THR   6          2HG2      THR   6  13.078   5.414   0.529
   54   3HG2  THR   6          3HG2      THR   6  12.678   6.730   1.632
   55    H    LYS   7           H        LYS   7  16.503   4.501   0.740
   56    HA   LYS   7           HA       LYS   7  16.949   3.453  -1.233
   57   1HB   LYS   7          1HB       LYS   7  17.384   1.627   0.560
   58   2HB   LYS   7          2HB       LYS   7  15.890   0.911  -0.028
   59   1HG   LYS   7          1HG       LYS   7  16.952  -0.009  -1.737
   60   2HG   LYS   7          2HG       LYS   7  17.575   1.562  -2.247
   61   1HD   LYS   7          1HD       LYS   7  19.402   1.323  -0.589
   62   2HD   LYS   7          2HD       LYS   7  18.803  -0.294  -0.209
   63   1HE   LYS   7          1HE       LYS   7  19.053  -0.760  -2.718
   64   2HE   LYS   7          2HE       LYS   7  20.031   0.707  -2.759
   65   1HZ   LYS   7          1HZ       LYS   7  21.492  -0.278  -1.091
   66   2HZ   LYS   7          2HZ       LYS   7  20.565  -1.694  -1.095
   67   3HZ   LYS   7          3HZ       LYS   7  21.416  -1.238  -2.483
   68    H    CYS   8           H        CYS   8  15.388   4.480  -2.479
   69    HA   CYS   8           HA       CYS   8  13.683   4.530  -3.991
   70   1HB   CYS   8          1HB       CYS   8  14.260   2.188  -4.489
   71   2HB   CYS   8          2HB       CYS   8  13.226   1.652  -3.168
   72    H    ASN   9           H        ASN   9  12.211   5.915  -3.268
   73    HA   ASN   9           HA       ASN   9  10.921   6.238  -0.989
   74   1HB   ASN   9          1HB       ASN   9   9.049   7.244  -2.151
   75   2HB   ASN   9          2HB       ASN   9  10.534   7.605  -3.028
   76   1HD2  ASN   9          2HD2      ASN   9  11.059   5.925  -4.757
   77   2HD2  ASN   9          1HD2      ASN   9   9.739   5.437  -5.758
   78    H    ILE  10           H        ILE  10   9.930   3.825  -3.387
   79    HA   ILE  10           HA       ILE  10   8.430   2.459  -1.263
   80    HB   ILE  10           HB       ILE  10   6.850   3.712  -2.728
   81   1HG1  ILE  10          1HG1      ILE  10   6.353   0.816  -3.237
   82   2HG1  ILE  10          2HG1      ILE  10   6.538   1.340  -1.566
   83   1HG2  ILE  10          1HG2      ILE  10   8.458   2.804  -4.775
   84   2HG2  ILE  10          2HG2      ILE  10   7.005   1.815  -4.924
   85   3HG2  ILE  10          3HG2      ILE  10   6.882   3.574  -4.953
   86   1HD1  ILE  10          1HD1      ILE  10   4.772   3.088  -2.100
   87   2HD1  ILE  10          2HD1      ILE  10   4.453   2.140  -3.554
   88   3HD1  ILE  10          3HD1      ILE  10   4.250   1.410  -1.960
   89    H    THR  11           H        THR  11   9.253   0.505  -0.998
   90    HA   THR  11           HA       THR  11  10.356  -0.893  -3.346
   91    HB   THR  11           HB       THR  11  11.908  -0.209  -1.390
   92    HG1  THR  11           HG1      THR  11  12.094  -2.020  -3.098
   93   1HG2  THR  11          1HG2      THR  11  10.149  -1.398   0.227
   94   2HG2  THR  11          2HG2      THR  11  11.204  -2.768  -0.111
   95   3HG2  THR  11          3HG2      THR  11  11.872  -1.291   0.583
   96    H    CYS  12           H        CYS  12   9.583  -2.866  -3.847
   97    HA   CYS  12           HA       CYS  12   7.422  -3.915  -2.165
   98   1HB   CYS  12          1HB       CYS  12   8.082  -4.864  -4.944
   99   2HB   CYS  12          2HB       CYS  12   6.551  -4.973  -4.083
  100    H    SER  13           H        SER  13   9.344  -4.608  -0.752
  101    HA   SER  13           HA       SER  13  10.899  -6.841  -1.617
  102   1HB   SER  13          1HB       SER  13  10.855  -6.853   1.187
  103   2HB   SER  13          2HB       SER  13  12.081  -6.128   0.149
  104    HG   SER  13           HG       SER  13  10.737  -4.820   1.818
  105    H    LYS  14           H        LYS  14   7.826  -6.424  -0.023
  106    HA   LYS  14           HA       LYS  14   7.410  -9.323  -0.166
  107   1HB   LYS  14          1HB       LYS  14   7.348  -7.626   2.243
  108   2HB   LYS  14          2HB       LYS  14   5.964  -8.692   2.056
  109   1HG   LYS  14          1HG       LYS  14   8.855  -9.529   2.093
  110   2HG   LYS  14          2HG       LYS  14   7.685  -9.740   3.398
  111   1HD   LYS  14          1HD       LYS  14   6.903 -11.615   2.483
  112   2HD   LYS  14          2HD       LYS  14   6.675 -10.821   0.922
  113   1HE   LYS  14          1HE       LYS  14   8.311 -12.134   0.164
  114   2HE   LYS  14          2HE       LYS  14   9.413 -11.127   1.101
  115   1HZ   LYS  14          1HZ       LYS  14   8.086 -13.268   2.551
  116   2HZ   LYS  14          2HZ       LYS  14   9.229 -13.752   1.403
  117   3HZ   LYS  14          3HZ       LYS  14   9.680 -12.712   2.659
  118    H    MET  15           H        MET  15   4.919  -9.678   0.499
  119    HA   MET  15           HA       MET  15   3.399  -7.803  -1.191
  120   1HB   MET  15          1HB       MET  15   3.307 -10.766  -0.869
  121   2HB   MET  15          2HB       MET  15   1.805  -9.926  -1.233
  122   1HG   MET  15          1HG       MET  15   2.723 -10.636  -3.290
  123   2HG   MET  15          2HG       MET  15   2.963  -8.893  -3.195
  124   1HE   MET  15          1HE       MET  15   5.076  -7.701  -3.208
  125   2HE   MET  15          2HE       MET  15   6.528  -8.433  -3.892
  126   3HE   MET  15          3HE       MET  15   5.016  -8.457  -4.801
  127    H    THR  16           H        THR  16   1.764  -6.712  -0.308
  128    HA   THR  16           HA       THR  16   1.237  -6.891   2.480
  129    HB   THR  16           HB       THR  16   1.046  -4.850   0.880
  130    HG1  THR  16           HG1      THR  16   0.235  -5.241   3.220
  131   1HG2  THR  16          1HG2      THR  16  -0.978  -6.312  -0.254
  132   2HG2  THR  16          2HG2      THR  16  -1.835  -5.185   0.800
  133   3HG2  THR  16          3HG2      THR  16  -0.725  -4.576  -0.428
  134    H    SER  17           H        SER  17  -1.418  -6.632   2.864
  135    HA   SER  17           HA       SER  17  -2.437  -9.272   2.064
  136   1HB   SER  17          1HB       SER  17  -2.977  -7.547   4.480
  137   2HB   SER  17          2HB       SER  17  -3.998  -8.923   4.059
  138    HG   SER  17           HG       SER  17  -2.257 -10.278   4.329
  139    H    LYS  18           H        LYS  18  -5.040  -9.165   2.405
  140    HA   LYS  18           HA       LYS  18  -6.003  -7.788   0.158
  141   1HB   LYS  18          1HB       LYS  18  -6.944  -9.824   1.652
  142   2HB   LYS  18          2HB       LYS  18  -7.952  -8.520   2.265
  143   1HG   LYS  18          1HG       LYS  18  -8.160  -8.118  -0.406
  144   2HG   LYS  18          2HG       LYS  18  -7.987  -9.872  -0.336
  145   1HD   LYS  18          1HD       LYS  18 -10.165  -9.964   0.122
  146   2HD   LYS  18          2HD       LYS  18  -9.776  -9.274   1.700
  147   1HE   LYS  18          1HE       LYS  18  -9.828  -7.090  -0.007
  148   2HE   LYS  18          2HE       LYS  18 -11.173  -8.093  -0.549
  149   1HZ   LYS  18          1HZ       LYS  18 -11.810  -8.191   1.891
  150   2HZ   LYS  18          2HZ       LYS  18 -10.734  -6.908   2.123
  151   3HZ   LYS  18          3HZ       LYS  18 -12.063  -6.720   1.094
  152    H    ILE  19           H        ILE  19  -7.509  -6.059   0.009
  153    HA   ILE  19           HA       ILE  19  -7.897  -4.366   2.342
  154    HB   ILE  19           HB       ILE  19  -6.451  -3.368  -0.115
  155   1HG1  ILE  19          1HG1      ILE  19  -5.505  -3.412   2.754
  156   2HG1  ILE  19          2HG1      ILE  19  -5.112  -4.674   1.589
  157   1HG2  ILE  19          1HG2      ILE  19  -8.214  -1.876   1.105
  158   2HG2  ILE  19          2HG2      ILE  19  -6.937  -1.704   2.309
  159   3HG2  ILE  19          3HG2      ILE  19  -6.647  -1.208   0.643
  160   1HD1  ILE  19          1HD1      ILE  19  -4.300  -2.573   0.185
  161   2HD1  ILE  19          2HD1      ILE  19  -4.098  -1.910   1.807
  162   3HD1  ILE  19          3HD1      ILE  19  -3.267  -3.395   1.353
  163    HA   PRO  20           HA       PRO  20 -11.887  -3.676   0.594
  164   1HB   PRO  20          1HB       PRO  20 -12.049  -0.953   1.232
  165   2HB   PRO  20          2HB       PRO  20 -12.572  -2.292   2.254
  166   1HG   PRO  20          1HG       PRO  20 -10.016  -0.751   2.316
  167   2HG   PRO  20          2HG       PRO  20 -10.964  -1.410   3.659
  168   1HD   PRO  20          1HD       PRO  20  -8.723  -2.596   2.856
  169   2HD   PRO  20          2HD       PRO  20 -10.138  -3.551   3.335
  170    H    VAL  21           H        VAL  21 -12.467  -3.316  -1.456
  171    HA   VAL  21           HA       VAL  21 -10.758  -1.993  -3.297
  172    HB   VAL  21           HB       VAL  21 -12.423  -3.865  -3.809
  173   1HG1  VAL  21          1HG1      VAL  21 -14.362  -2.744  -2.748
  174   2HG1  VAL  21          2HG1      VAL  21 -14.331  -1.544  -4.042
  175   3HG1  VAL  21          3HG1      VAL  21 -14.666  -3.234  -4.414
  176   1HG2  VAL  21          1HG2      VAL  21 -11.155  -2.214  -5.418
  177   2HG2  VAL  21          2HG2      VAL  21 -12.360  -3.346  -6.034
  178   3HG2  VAL  21          3HG2      VAL  21 -12.792  -1.657  -5.764
  179    H    ALA  22           H        ALA  22 -13.709  -1.068  -1.607
  180    HA   ALA  22           HA       ALA  22 -14.014   1.420  -2.997
  181   1HB   ALA  22          1HB       ALA  22 -15.698  -0.105  -1.530
  182   2HB   ALA  22          2HB       ALA  22 -15.281   1.143  -0.357
  183   3HB   ALA  22          3HB       ALA  22 -15.979   1.592  -1.913
  184    H    LEU  23           H        LEU  23 -11.663   0.466  -1.000
  185    HA   LEU  23           HA       LEU  23 -11.479   2.987   0.481
  186   1HB   LEU  23          1HB       LEU  23 -10.633   0.229   0.946
  187   2HB   LEU  23          2HB       LEU  23  -9.392   1.407   1.320
  188    HG   LEU  23           HG       LEU  23 -11.281   2.573   2.677
  189   1HD1  LEU  23          1HD1      LEU  23 -12.852   0.670   1.673
  190   2HD1  LEU  23          2HD1      LEU  23 -12.345  -0.121   3.165
  191   3HD1  LEU  23          3HD1      LEU  23 -13.144   1.448   3.228
  192   1HD2  LEU  23          1HD2      LEU  23  -9.286   0.675   3.301
  193   2HD2  LEU  23          2HD2      LEU  23  -9.965   1.936   4.332
  194   3HD2  LEU  23          3HD2      LEU  23 -10.696   0.330   4.303
  195    H    LEU  24           H        LEU  24 -10.359   1.479  -2.304
  196    HA   LEU  24           HA       LEU  24  -7.730   2.707  -2.301
  197   1HB   LEU  24          1HB       LEU  24  -9.233   0.963  -4.231
  198   2HB   LEU  24          2HB       LEU  24  -7.753   1.769  -4.709
  199    HG   LEU  24           HG       LEU  24  -7.843   0.001  -2.281
  200   1HD1  LEU  24          1HD1      LEU  24  -7.323  -0.840  -5.129
  201   2HD1  LEU  24          2HD1      LEU  24  -7.028  -1.831  -3.701
  202   3HD1  LEU  24          3HD1      LEU  24  -8.673  -1.349  -4.114
  203   1HD2  LEU  24          1HD2      LEU  24  -5.677   1.009  -4.113
  204   2HD2  LEU  24          2HD2      LEU  24  -5.897   1.354  -2.398
  205   3HD2  LEU  24          3HD2      LEU  24  -5.425  -0.264  -2.919
  206    H    ILE  25           H        ILE  25  -7.107   4.456  -3.521
  207    HA   ILE  25           HA       ILE  25  -9.279   5.915  -4.881
  208    HB   ILE  25           HB       ILE  25  -8.181   8.007  -4.264
  209   1HG1  ILE  25          1HG1      ILE  25  -6.320   6.358  -2.546
  210   2HG1  ILE  25          2HG1      ILE  25  -5.870   6.976  -4.133
  211   1HG2  ILE  25          1HG2      ILE  25  -9.823   6.656  -2.743
  212   2HG2  ILE  25          2HG2      ILE  25  -8.414   6.518  -1.691
  213   3HG2  ILE  25          3HG2      ILE  25  -9.034   8.109  -2.131
  214   1HD1  ILE  25          1HD1      ILE  25  -6.789   8.738  -1.884
  215   2HD1  ILE  25          2HD1      ILE  25  -5.099   8.336  -2.183
  216   3HD1  ILE  25          3HD1      ILE  25  -6.024   9.219  -3.399
  217    H    HIS  26           H        HIS  26  -5.840   5.108  -4.905
  218    HA   HIS  26           HA       HIS  26  -5.815   5.628  -7.784
  219   1HB   HIS  26          1HB       HIS  26  -4.402   7.197  -5.793
  220   2HB   HIS  26          2HB       HIS  26  -3.291   6.471  -6.951
  221    HD1  HIS  26           HD1      HIS  26  -6.567   7.247  -8.387
  222    HD2  HIS  26           HD2      HIS  26  -2.942   9.203  -7.850
  223    HE1  HIS  26           HE1      HIS  26  -6.643   9.235  -9.924
  224    HE2  HIS  26           HE2      HIS  26  -4.476  10.453  -9.514
  225    H    TYR  27           H        TYR  27  -4.418   4.363  -8.966
  226    HA   TYR  27           HA       TYR  27  -2.772   2.422  -7.504
  227   1HB   TYR  27          1HB       TYR  27  -3.689   0.564  -8.549
  228   2HB   TYR  27          2HB       TYR  27  -5.116   1.566  -8.305
  229    HD1  TYR  27           HD1      TYR  27  -5.830   3.075 -10.286
  230    HD2  TYR  27           HD2      TYR  27  -3.174  -0.235 -10.678
  231    HE1  TYR  27           HE1      TYR  27  -6.311   2.983 -12.700
  232    HE2  TYR  27           HE2      TYR  27  -3.647  -0.337 -13.093
  233    HH   TYR  27           HH       TYR  27  -5.339   0.346 -14.670
  234    H    GLN  28           H        GLN  28  -0.791   2.165  -8.352
  235    HA   GLN  28           HA       GLN  28  -0.343   2.846 -11.158
  236   1HB   GLN  28          1HB       GLN  28   1.888   3.932 -10.116
  237   2HB   GLN  28          2HB       GLN  28   0.438   4.858 -10.481
  238   1HG   GLN  28          1HG       GLN  28   0.266   3.703  -7.859
  239   2HG   GLN  28          2HG       GLN  28   1.747   4.643  -8.031
  240   1HE2  GLN  28          2HE2      GLN  28  -0.552   5.222  -6.391
  241   2HE2  GLN  28          1HE2      GLN  28  -1.167   6.748  -6.916
  242    H    GLN  29           H        GLN  29   2.064   2.367 -11.715
  243    HA   GLN  29           HA       GLN  29   2.605  -0.330 -10.718
  244   1HB   GLN  29          1HB       GLN  29   2.789   0.943 -13.272
  245   2HB   GLN  29          2HB       GLN  29   4.388   0.375 -12.813
  246   1HG   GLN  29          1HG       GLN  29   3.839  -1.773 -13.092
  247   2HG   GLN  29          2HG       GLN  29   2.255  -1.566 -12.344
  248   1HE2  GLN  29          2HE2      GLN  29   0.523  -0.800 -13.635
  249   2HE2  GLN  29          1HE2      GLN  29   0.543  -1.004 -15.351
  250    H    ASN  30           H        ASN  30   4.434  -0.887  -9.654
  251    HA   ASN  30           HA       ASN  30   5.970   1.185  -8.434
  252   1HB   ASN  30          1HB       ASN  30   6.953  -0.497  -7.137
  253   2HB   ASN  30          2HB       ASN  30   5.349  -1.137  -7.481
  254   1HD2  ASN  30          2HD2      ASN  30   8.365  -2.079  -7.149
  255   2HD2  ASN  30          1HD2      ASN  30   8.450  -3.363  -8.301
  256    H    GLN  31           H        GLN  31   8.528   0.374  -8.314
  257    HA   GLN  31           HA       GLN  31   9.453   0.806 -11.061
  258   1HB   GLN  31          1HB       GLN  31  10.792   1.232  -8.389
  259   2HB   GLN  31          2HB       GLN  31  11.624   1.409  -9.928
  260   1HG   GLN  31          1HG       GLN  31  10.275   3.247 -10.552
  261   2HG   GLN  31          2HG       GLN  31   9.149   2.957  -9.226
  262   1HE2  GLN  31          2HE2      GLN  31  12.687   3.071  -9.304
  263   2HE2  GLN  31          1HE2      GLN  31  12.846   4.342  -8.144
  264    H    ALA  32           H        ALA  32  10.862  -0.554 -12.079
  265    HA   ALA  32           HA       ALA  32  10.955  -3.257 -11.176
  266   1HB   ALA  32          1HB       ALA  32  11.178  -2.003 -13.616
  267   2HB   ALA  32          2HB       ALA  32  12.810  -2.608 -13.322
  268   3HB   ALA  32          3HB       ALA  32  11.440  -3.720 -13.305
  269    H    SER  33           H        SER  33  12.738  -0.624 -10.270
  270    HA   SER  33           HA       SER  33  15.176  -2.197  -9.801
  271   1HB   SER  33          1HB       SER  33  16.403  -0.287  -9.990
  272   2HB   SER  33          2HB       SER  33  14.993   0.273 -10.889
  273    HG   SER  33           HG       SER  33  15.774   0.856  -8.253
  274    H    CYS  34           H        CYS  34  12.488  -1.995  -8.274
  275    HA   CYS  34           HA       CYS  34  13.737  -1.760  -5.627
  276   1HB   CYS  34          1HB       CYS  34  10.944  -0.766  -6.180
  277   2HB   CYS  34          2HB       CYS  34  11.915  -0.525  -4.729
  278    H    GLY  35           H        GLY  35  13.639  -3.716  -4.746
  279   1HA   GLY  35          1HA       GLY  35  12.883  -5.807  -4.167
  280   2HA   GLY  35          2HA       GLY  35  11.313  -5.029  -4.039
  281    H    LYS  36           H        LYS  36  10.062  -6.638  -4.876
  282    HA   LYS  36           HA       LYS  36  10.764  -7.820  -7.441
  283   1HB   LYS  36          1HB       LYS  36   8.600  -8.363  -5.421
  284   2HB   LYS  36          2HB       LYS  36   8.569  -9.093  -7.020
  285   1HG   LYS  36          1HG       LYS  36   9.687 -10.747  -5.999
  286   2HG   LYS  36          2HG       LYS  36  11.084  -9.701  -6.269
  287   1HD   LYS  36          1HD       LYS  36  11.421  -9.706  -4.070
  288   2HD   LYS  36          2HD       LYS  36   9.920  -8.792  -3.895
  289   1HE   LYS  36          1HE       LYS  36   8.904 -10.524  -2.940
  290   2HE   LYS  36          2HE       LYS  36   9.358 -11.587  -4.271
  291   1HZ   LYS  36          1HZ       LYS  36  11.277 -10.880  -2.138
  292   2HZ   LYS  36          2HZ       LYS  36  10.198 -12.172  -1.962
  293   3HZ   LYS  36          3HZ       LYS  36  11.332 -12.183  -3.215
  294    H    ARG  37           H        ARG  37   9.370  -7.778  -9.265
  295    HA   ARG  37           HA       ARG  37   8.232  -5.233  -9.785
  296   1HB   ARG  37          1HB       ARG  37   8.624  -7.757 -11.263
  297   2HB   ARG  37          2HB       ARG  37   7.269  -6.775 -11.802
  298   1HG   ARG  37          1HG       ARG  37   9.230  -4.908 -11.596
  299   2HG   ARG  37          2HG       ARG  37  10.148  -6.334 -12.084
  300   1HD   ARG  37          1HD       ARG  37   7.758  -5.155 -13.496
  301   2HD   ARG  37          2HD       ARG  37   9.434  -5.097 -14.039
  302    HE   ARG  37           HE       ARG  37   8.565  -7.776 -13.661
  303   1HH1  ARG  37          1HH1      ARG  37   8.339  -5.070 -15.839
  304   2HH1  ARG  37          2HH1      ARG  37   8.059  -6.052 -17.238
  305   1HH2  ARG  37          1HH2      ARG  37   8.199  -9.081 -15.495
  306   2HH2  ARG  37          2HH2      ARG  37   7.980  -8.334 -17.043
  307    H    ALA  38           H        ALA  38   6.632  -4.943  -8.185
  308    HA   ALA  38           HA       ALA  38   4.211  -6.582  -8.552
  309   1HB   ALA  38          1HB       ALA  38   5.592  -6.144  -6.227
  310   2HB   ALA  38          2HB       ALA  38   4.302  -4.947  -6.138
  311   3HB   ALA  38          3HB       ALA  38   3.908  -6.655  -6.337
  312    H    ILE  39           H        ILE  39   2.492  -4.847  -7.129
  313    HA   ILE  39           HA       ILE  39   2.343  -2.562  -8.987
  314    HB   ILE  39           HB       ILE  39   0.115  -4.192  -7.773
  315   1HG1  ILE  39          1HG1      ILE  39   1.427  -4.799  -9.976
  316   2HG1  ILE  39          2HG1      ILE  39  -0.323  -4.964  -9.903
  317   1HG2  ILE  39          1HG2      ILE  39  -0.030  -1.577  -9.260
  318   2HG2  ILE  39          2HG2      ILE  39  -1.414  -2.629  -8.962
  319   3HG2  ILE  39          3HG2      ILE  39  -0.553  -1.899  -7.606
  320   1HD1  ILE  39          1HD1      ILE  39  -0.452  -2.658 -10.914
  321   2HD1  ILE  39          2HD1      ILE  39   1.282  -2.793 -11.210
  322   3HD1  ILE  39          3HD1      ILE  39   0.166  -3.936 -11.959
  323    H    ILE  40           H        ILE  40   1.448  -0.596  -8.171
  324    HA   ILE  40           HA       ILE  40   1.867  -0.281  -5.279
  325    HB   ILE  40           HB       ILE  40   1.893   1.806  -7.461
  326   1HG1  ILE  40          1HG1      ILE  40   3.887   0.542  -7.650
  327   2HG1  ILE  40          2HG1      ILE  40   4.332   1.970  -6.720
  328   1HG2  ILE  40          1HG2      ILE  40   1.371   2.117  -4.732
  329   2HG2  ILE  40          2HG2      ILE  40   3.041   2.632  -4.959
  330   3HG2  ILE  40          3HG2      ILE  40   1.751   3.380  -5.901
  331   1HD1  ILE  40          1HD1      ILE  40   3.942   0.522  -4.656
  332   2HD1  ILE  40          2HD1      ILE  40   3.972  -0.844  -5.772
  333   3HD1  ILE  40          3HD1      ILE  40   5.381   0.207  -5.626
  334    H    LEU  41           H        LEU  41   0.057  -0.282  -4.126
  335    HA   LEU  41           HA       LEU  41  -2.394   0.801  -5.331
  336   1HB   LEU  41          1HB       LEU  41  -1.906  -1.208  -3.156
  337   2HB   LEU  41          2HB       LEU  41  -3.461  -0.415  -3.323
  338    HG   LEU  41           HG       LEU  41  -2.117  -2.210  -5.340
  339   1HD1  LEU  41          1HD1      LEU  41  -4.369  -2.497  -3.417
  340   2HD1  LEU  41          2HD1      LEU  41  -4.456  -3.342  -4.964
  341   3HD1  LEU  41          3HD1      LEU  41  -3.109  -3.648  -3.865
  342   1HD2  LEU  41          1HD2      LEU  41  -4.277  -0.224  -5.627
  343   2HD2  LEU  41          2HD2      LEU  41  -3.167  -0.880  -6.830
  344   3HD2  LEU  41          3HD2      LEU  41  -4.581  -1.811  -6.336
  345    H    GLU  42           H        GLU  42  -3.165   2.674  -4.642
  346    HA   GLU  42           HA       GLU  42  -2.197   3.731  -2.070
  347   1HB   GLU  42          1HB       GLU  42  -1.431   5.120  -3.864
  348   2HB   GLU  42          2HB       GLU  42  -3.025   5.146  -4.605
  349   1HG   GLU  42          1HG       GLU  42  -3.877   6.612  -3.020
  350   2HG   GLU  42          2HG       GLU  42  -2.599   6.251  -1.860
  351    H    THR  43           H        THR  43  -3.643   4.175  -0.519
  352    HA   THR  43           HA       THR  43  -6.488   3.868  -1.190
  353    HB   THR  43           HB       THR  43  -6.860   3.262   1.097
  354    HG1  THR  43           HG1      THR  43  -5.449   3.625   2.670
  355   1HG2  THR  43          1HG2      THR  43  -4.453   1.954  -0.098
  356   2HG2  THR  43          2HG2      THR  43  -5.077   1.463   1.478
  357   3HG2  THR  43          3HG2      THR  43  -6.100   1.341   0.047
  358    H    ARG  44           H        ARG  44  -8.015   5.174   0.154
  359    HA   ARG  44           HA       ARG  44  -7.534   7.922  -0.220
  360   1HB   ARG  44          1HB       ARG  44  -9.641   8.220   1.108
  361   2HB   ARG  44          2HB       ARG  44  -9.786   7.129  -0.263
  362   1HG   ARG  44          1HG       ARG  44  -9.262   5.297   1.537
  363   2HG   ARG  44          2HG       ARG  44  -9.849   6.534   2.651
  364   1HD   ARG  44          1HD       ARG  44 -11.603   4.944   1.858
  365   2HD   ARG  44          2HD       ARG  44 -11.957   6.641   1.534
  366    HE   ARG  44           HE       ARG  44 -10.681   5.183  -0.623
  367   1HH1  ARG  44          1HH1      ARG  44 -13.651   6.303   0.804
  368   2HH1  ARG  44          2HH1      ARG  44 -14.558   6.180  -0.667
  369   1HH2  ARG  44          1HH2      ARG  44 -11.863   5.015  -2.568
  370   2HH2  ARG  44          2HH2      ARG  44 -13.541   5.446  -2.585
  371    H    GLN  45           H        GLN  45  -6.484   5.848   2.209
  372    HA   GLN  45           HA       GLN  45  -6.212   8.026   4.160
  373   1HB   GLN  45          1HB       GLN  45  -6.204   5.036   4.387
  374   2HB   GLN  45          2HB       GLN  45  -5.435   6.013   5.629
  375   1HG   GLN  45          1HG       GLN  45  -7.399   6.275   6.601
  376   2HG   GLN  45          2HG       GLN  45  -7.962   7.151   5.178
  377   1HE2  GLN  45          2HE2      GLN  45  -9.334   5.297   7.040
  378   2HE2  GLN  45          1HE2      GLN  45 -10.030   4.077   6.033
  379    H    HIS  46           H        HIS  46  -4.580   7.627   1.704
  380    HA   HIS  46           HA       HIS  46  -2.411   7.780   1.043
  381   1HB   HIS  46          1HB       HIS  46  -1.956   8.482   3.952
  382   2HB   HIS  46          2HB       HIS  46  -0.812   8.759   2.641
  383    HD1  HIS  46           HD1      HIS  46  -1.673  10.496   0.749
  384    HD2  HIS  46           HD2      HIS  46  -3.729  10.509   4.361
  385    HE1  HIS  46           HE1      HIS  46  -2.937  12.669   0.796
  386    HE2  HIS  46           HE2      HIS  46  -4.107  12.691   3.027
  387    H    ARG  47           H        ARG  47  -3.213   5.223   1.434
  388    HA   ARG  47           HA       ARG  47  -1.025   3.919   2.900
  389   1HB   ARG  47          1HB       ARG  47  -3.573   3.380   3.228
  390   2HB   ARG  47          2HB       ARG  47  -3.361   2.429   1.764
  391   1HG   ARG  47          1HG       ARG  47  -1.252   1.569   3.205
  392   2HG   ARG  47          2HG       ARG  47  -2.396   1.940   4.496
  393   1HD   ARG  47          1HD       ARG  47  -3.254   0.340   2.116
  394   2HD   ARG  47          2HD       ARG  47  -2.391  -0.429   3.448
  395    HE   ARG  47           HE       ARG  47  -4.739   1.141   4.144
  396   1HH1  ARG  47          1HH1      ARG  47  -3.367  -2.005   3.526
  397   2HH1  ARG  47          2HH1      ARG  47  -4.633  -2.857   4.345
  398   1HH2  ARG  47          1HH2      ARG  47  -6.407   0.023   5.222
  399   2HH2  ARG  47          2HH2      ARG  47  -6.361  -1.707   5.307
  400    H    LEU  48           H        LEU  48   0.679   3.588   1.627
  401    HA   LEU  48           HA       LEU  48   0.223   2.696  -1.139
  402   1HB   LEU  48          1HB       LEU  48   2.769   3.808   0.037
  403   2HB   LEU  48          2HB       LEU  48   2.435   3.497  -1.656
  404    HG   LEU  48           HG       LEU  48   1.111   5.606   0.051
  405   1HD1  LEU  48          1HD1      LEU  48   3.151   5.772  -2.160
  406   2HD1  LEU  48          2HD1      LEU  48   2.280   7.155  -1.498
  407   3HD1  LEU  48          3HD1      LEU  48   3.368   6.224  -0.469
  408   1HD2  LEU  48          1HD2      LEU  48   0.571   4.575  -2.688
  409   2HD2  LEU  48          2HD2      LEU  48  -0.552   5.135  -1.448
  410   3HD2  LEU  48          3HD2      LEU  48   0.386   6.301  -2.382
  411    H    PHE  49           H        PHE  49   0.165   0.526  -1.130
  412    HA   PHE  49           HA       PHE  49   2.432  -0.876   0.121
  413   1HB   PHE  49          1HB       PHE  49  -0.492  -1.530   0.194
  414   2HB   PHE  49          2HB       PHE  49   0.698  -2.823   0.300
  415    HD1  PHE  49           HD1      PHE  49   2.371  -2.786   2.172
  416    HD2  PHE  49           HD2      PHE  49  -0.999  -0.176   2.044
  417    HE1  PHE  49           HE1      PHE  49   2.615  -2.359   4.589
  418    HE2  PHE  49           HE2      PHE  49  -0.759   0.256   4.460
  419    HZ   PHE  49           HZ       PHE  49   1.049  -0.836   5.734
  420    H    CYS  50           H        CYS  50   3.371  -2.517  -1.035
  421    HA   CYS  50           HA       CYS  50   2.814  -2.540  -3.873
  422   1HB   CYS  50          1HB       CYS  50   4.977  -3.670  -2.130
  423   2HB   CYS  50          2HB       CYS  50   4.790  -4.249  -3.782
  424    H    ALA  51           H        ALA  51   1.110  -3.728  -4.487
  425    HA   ALA  51           HA       ALA  51   0.776  -6.407  -3.317
  426   1HB   ALA  51          1HB       ALA  51  -1.102  -4.679  -3.188
  427   2HB   ALA  51          2HB       ALA  51  -1.313  -4.960  -4.916
  428   3HB   ALA  51          3HB       ALA  51  -1.518  -6.290  -3.776
  429    H    ASP  52           H        ASP  52   1.370  -8.073  -4.519
  430    HA   ASP  52           HA       ASP  52   2.274  -7.850  -7.172
  431   1HB   ASP  52          1HB       ASP  52   2.210  -9.850  -5.156
  432   2HB   ASP  52          2HB       ASP  52   1.517 -10.554  -6.614
  433    HA   PRO  53           HA       PRO  53  -1.459  -7.832  -9.537
  434   1HB   PRO  53          1HB       PRO  53   0.165  -9.310 -11.537
  435   2HB   PRO  53          2HB       PRO  53  -0.734  -7.799 -11.712
  436   1HG   PRO  53          1HG       PRO  53   1.928  -7.798 -11.563
  437   2HG   PRO  53          2HG       PRO  53   0.966  -6.525 -10.790
  438   1HD   PRO  53          1HD       PRO  53   2.331  -8.882  -9.560
  439   2HD   PRO  53          2HD       PRO  53   2.159  -7.228  -8.939
  440    H    LYS  54           H        LYS  54   0.392 -10.743  -8.963
  441    HA   LYS  54           HA       LYS  54  -1.451 -12.597 -10.042
  442   1HB   LYS  54          1HB       LYS  54   0.767 -12.824  -8.024
  443   2HB   LYS  54          2HB       LYS  54  -0.252 -14.202  -8.419
  444   1HG   LYS  54          1HG       LYS  54   1.100 -12.677 -10.600
  445   2HG   LYS  54          2HG       LYS  54   2.003 -13.860  -9.652
  446   1HD   LYS  54          1HD       LYS  54   0.661 -15.634 -10.371
  447   2HD   LYS  54          2HD       LYS  54  -0.632 -14.558 -10.906
  448   1HE   LYS  54          1HE       LYS  54   0.501 -15.422 -12.839
  449   2HE   LYS  54          2HE       LYS  54   0.879 -13.707 -12.680
  450   1HZ   LYS  54          1HZ       LYS  54   2.879 -14.832 -11.301
  451   2HZ   LYS  54          2HZ       LYS  54   2.622 -16.008 -12.490
  452   3HZ   LYS  54          3HZ       LYS  54   2.975 -14.415 -12.938
  453    H    GLU  55           H        GLU  55  -1.286 -10.898  -7.013
  454    HA   GLU  55           HA       GLU  55  -2.990 -12.567  -5.500
  455   1HB   GLU  55          1HB       GLU  55  -2.489  -9.594  -5.248
  456   2HB   GLU  55          2HB       GLU  55  -3.263 -10.600  -4.032
  457   1HG   GLU  55          1HG       GLU  55  -1.255 -11.820  -3.651
  458   2HG   GLU  55          2HG       GLU  55  -0.465 -11.054  -5.028
  459    H    GLN  56           H        GLN  56  -5.137 -12.817  -5.512
  460    HA   GLN  56           HA       GLN  56  -6.755 -11.884  -7.561
  461   1HB   GLN  56          1HB       GLN  56  -7.167 -13.831  -5.961
  462   2HB   GLN  56          2HB       GLN  56  -7.806 -12.639  -4.839
  463   1HG   GLN  56          1HG       GLN  56  -8.878 -13.412  -7.533
  464   2HG   GLN  56          2HG       GLN  56  -9.658 -13.564  -5.960
  465   1HE2  GLN  56          2HE2      GLN  56  -8.684 -11.351  -8.476
  466   2HE2  GLN  56          1HE2      GLN  56  -9.703 -10.040  -7.995
  467    H    TRP  57           H        TRP  57  -6.933 -10.834  -4.146
  468    HA   TRP  57           HA       TRP  57  -8.740  -8.816  -4.381
  469   1HB   TRP  57          1HB       TRP  57  -8.024  -8.040  -2.329
  470   2HB   TRP  57          2HB       TRP  57  -7.363  -9.669  -2.323
  471    HD1  TRP  57           HD1      TRP  57  -4.695  -9.912  -2.599
  472    HE1  TRP  57           HE1      TRP  57  -2.783  -8.250  -2.151
  473    HE3  TRP  57           HE3      TRP  57  -7.409  -5.577  -2.444
  474    HZ2  TRP  57           HZ2      TRP  57  -2.465  -5.464  -1.779
  475    HZ3  TRP  57           HZ3      TRP  57  -6.227  -3.455  -2.035
  476    HH2  TRP  57           HH2      TRP  57  -3.804  -3.400  -1.706
  477    H    VAL  58           H        VAL  58  -5.542  -8.844  -5.693
  478    HA   VAL  58           HA       VAL  58  -5.486  -5.966  -6.096
  479    HB   VAL  58           HB       VAL  58  -3.567  -8.079  -7.087
  480   1HG1  VAL  58          1HG1      VAL  58  -3.771  -5.718  -8.208
  481   2HG1  VAL  58          2HG1      VAL  58  -2.876  -5.196  -6.780
  482   3HG1  VAL  58          3HG1      VAL  58  -2.187  -6.412  -7.857
  483   1HG2  VAL  58          1HG2      VAL  58  -3.786  -7.843  -4.588
  484   2HG2  VAL  58          2HG2      VAL  58  -2.173  -7.555  -5.241
  485   3HG2  VAL  58          3HG2      VAL  58  -3.191  -6.194  -4.771
  486    H    LYS  59           H        LYS  59  -5.646  -8.901  -8.107
  487    HA   LYS  59           HA       LYS  59  -5.770  -7.719 -10.608
  488   1HB   LYS  59          1HB       LYS  59  -7.291 -10.158  -9.661
  489   2HB   LYS  59          2HB       LYS  59  -6.987  -9.733 -11.339
  490   1HG   LYS  59          1HG       LYS  59  -4.546  -9.915 -10.865
  491   2HG   LYS  59          2HG       LYS  59  -4.963 -10.539  -9.267
  492   1HD   LYS  59          1HD       LYS  59  -6.367 -12.274 -10.499
  493   2HD   LYS  59          2HD       LYS  59  -5.514 -11.763 -11.955
  494   1HE   LYS  59          1HE       LYS  59  -3.387 -12.156 -10.481
  495   2HE   LYS  59          2HE       LYS  59  -4.475 -13.179  -9.543
  496   1HZ   LYS  59          1HZ       LYS  59  -4.512 -13.569 -12.424
  497   2HZ   LYS  59          2HZ       LYS  59  -3.097 -14.050 -11.631
  498   3HZ   LYS  59          3HZ       LYS  59  -4.587 -14.707 -11.176
  499    H    ASP  60           H        ASP  60  -8.503  -8.631  -8.509
  500    HA   ASP  60           HA       ASP  60 -10.469  -7.379 -10.121
  501   1HB   ASP  60          1HB       ASP  60 -11.192  -9.089  -8.611
  502   2HB   ASP  60          2HB       ASP  60 -10.477  -8.261  -7.231
  503    H    ALA  61           H        ALA  61  -8.696  -6.368  -7.216
  504    HA   ALA  61           HA       ALA  61  -9.965  -3.994  -6.675
  505   1HB   ALA  61          1HB       ALA  61  -7.141  -4.906  -6.349
  506   2HB   ALA  61          2HB       ALA  61  -7.564  -3.232  -5.984
  507   3HB   ALA  61          3HB       ALA  61  -8.357  -4.551  -5.120
  508    H    MET  62           H        MET  62  -7.316  -4.569  -8.968
  509    HA   MET  62           HA       MET  62  -7.162  -1.884  -9.864
  510   1HB   MET  62          1HB       MET  62  -6.067  -4.501 -10.772
  511   2HB   MET  62          2HB       MET  62  -6.071  -3.172 -11.924
  512   1HG   MET  62          1HG       MET  62  -4.793  -1.807 -10.359
  513   2HG   MET  62          2HG       MET  62  -4.796  -3.132  -9.198
  514   1HE   MET  62          1HE       MET  62  -4.807  -4.777 -12.394
  515   2HE   MET  62          2HE       MET  62  -3.191  -5.482 -12.393
  516   3HE   MET  62          3HE       MET  62  -4.261  -5.732 -11.016
  517    H    GLN  63           H        GLN  63  -8.560  -4.796 -11.378
  518    HA   GLN  63           HA       GLN  63  -9.636  -3.597 -13.627
  519   1HB   GLN  63          1HB       GLN  63  -9.601  -6.088 -12.947
  520   2HB   GLN  63          2HB       GLN  63 -11.111  -5.742 -12.114
  521   1HG   GLN  63          1HG       GLN  63 -11.859  -4.776 -14.397
  522   2HG   GLN  63          2HG       GLN  63 -10.519  -5.726 -15.040
  523   1HE2  GLN  63          2HE2      GLN  63 -12.085  -6.943 -16.207
  524   2HE2  GLN  63          1HE2      GLN  63 -12.987  -8.191 -15.422
  525    H    HIS  64           H        HIS  64 -10.537  -3.309 -10.334
  526    HA   HIS  64           HA       HIS  64 -13.218  -2.434 -10.747
  527   1HB   HIS  64          1HB       HIS  64 -13.300  -2.795  -8.542
  528   2HB   HIS  64          2HB       HIS  64 -11.568  -3.095  -8.534
  529    HD1  HIS  64           HD1      HIS  64 -10.205  -1.537  -7.164
  530    HD2  HIS  64           HD2      HIS  64 -13.913   0.067  -8.122
  531    HE1  HIS  64           HE1      HIS  64 -10.347   0.630  -5.898
  532    HE2  HIS  64           HE2      HIS  64 -12.560   1.628  -6.568
  533    H    LEU  65           H        LEU  65 -10.373  -0.647  -9.556
  534    HA   LEU  65           HA       LEU  65 -11.354   1.905  -9.747
  535   1HB   LEU  65          1HB       LEU  65  -8.629   0.732  -9.980
  536   2HB   LEU  65          2HB       LEU  65  -8.835   2.414 -10.426
  537    HG   LEU  65           HG       LEU  65  -9.320   1.158  -7.734
  538   1HD1  LEU  65          1HD1      LEU  65  -7.102   2.421  -8.925
  539   2HD1  LEU  65          2HD1      LEU  65  -7.762   3.549  -7.739
  540   3HD1  LEU  65          3HD1      LEU  65  -7.299   1.921  -7.244
  541   1HD2  LEU  65          1HD2      LEU  65 -10.094   3.887  -8.745
  542   2HD2  LEU  65          2HD2      LEU  65 -11.143   2.655  -8.040
  543   3HD2  LEU  65          3HD2      LEU  65  -9.956   3.483  -7.032
  544    H    ASP  66           H        ASP  66  -9.447   0.268 -12.281
  545    HA   ASP  66           HA       ASP  66  -9.511   2.137 -14.256
  546   1HB   ASP  66          1HB       ASP  66 -10.050  -0.751 -14.903
  547   2HB   ASP  66          2HB       ASP  66  -9.090   0.416 -15.807
  548    H    ARG  67           H        ARG  67 -12.165   0.210 -13.112
  549    HA   ARG  67           HA       ARG  67 -13.879   0.980 -15.334
  550   1HB   ARG  67          1HB       ARG  67 -13.810  -1.199 -13.573
  551   2HB   ARG  67          2HB       ARG  67 -15.255  -0.300 -13.137
  552   1HG   ARG  67          1HG       ARG  67 -15.921  -1.895 -14.736
  553   2HG   ARG  67          2HG       ARG  67 -15.881  -0.342 -15.575
  554   1HD   ARG  67          1HD       ARG  67 -13.870  -0.871 -16.676
  555   2HD   ARG  67          2HD       ARG  67 -13.546  -2.232 -15.602
  556    HE   ARG  67           HE       ARG  67 -15.965  -2.622 -17.029
  557   1HH1  ARG  67          1HH1      ARG  67 -12.504  -2.704 -17.393
  558   2HH1  ARG  67          2HH1      ARG  67 -12.536  -3.870 -18.675
  559   1HH2  ARG  67          1HH2      ARG  67 -16.021  -4.155 -18.717
  560   2HH2  ARG  67          2HH2      ARG  67 -14.536  -4.693 -19.428
  561    H    GLN  68           H        GLN  68 -13.196   1.908 -12.069
  562    HA   GLN  68           HA       GLN  68 -15.589   3.573 -11.912
  563   1HB   GLN  68          1HB       GLN  68 -13.815   2.318 -10.000
  564   2HB   GLN  68          2HB       GLN  68 -14.012   4.028  -9.646
  565   1HG   GLN  68          1HG       GLN  68 -15.928   3.557  -8.655
  566   2HG   GLN  68          2HG       GLN  68 -16.577   3.056 -10.218
  567   1HE2  GLN  68          2HE2      GLN  68 -14.879   0.804 -10.565
  568   2HE2  GLN  68          1HE2      GLN  68 -15.383  -0.407  -9.439
  569    H    ALA  69           H        ALA  69 -12.083   3.993 -11.398
  570    HA   ALA  69           HA       ALA  69 -12.150   6.811 -11.452
  571   1HB   ALA  69          1HB       ALA  69 -10.020   4.743 -11.621
  572   2HB   ALA  69          2HB       ALA  69  -9.621   6.399 -12.082
  573   3HB   ALA  69          3HB       ALA  69 -10.234   6.056 -10.464
  574    H    ALA  70           H        ALA  70 -12.574   4.581 -13.928
  575    HA   ALA  70           HA       ALA  70 -11.300   5.445 -16.149
  576   1HB   ALA  70          1HB       ALA  70 -14.122   4.527 -15.760
  577   2HB   ALA  70          2HB       ALA  70 -13.538   4.989 -17.359
  578   3HB   ALA  70          3HB       ALA  70 -12.758   3.672 -16.481
  579    H    ALA  71           H        ALA  71 -14.131   6.997 -14.682
  580    HA   ALA  71           HA       ALA  71 -14.625   8.943 -16.582
  581   1HB   ALA  71          1HB       ALA  71 -15.451   8.395 -13.927
  582   2HB   ALA  71          2HB       ALA  71 -15.031  10.105 -14.026
  583   3HB   ALA  71          3HB       ALA  71 -16.228   9.426 -15.129
  584    H    LEU  72           H        LEU  72 -11.935   8.614 -14.521
  585    HA   LEU  72           HA       LEU  72 -11.102  11.385 -15.075
  586   1HB   LEU  72          1HB       LEU  72 -10.377   9.508 -12.835
  587   2HB   LEU  72          2HB       LEU  72  -9.457  10.960 -13.178
  588    HG   LEU  72           HG       LEU  72 -10.937  11.507 -11.413
  589   1HD1  LEU  72          1HD1      LEU  72 -10.853  12.958 -13.641
  590   2HD1  LEU  72          2HD1      LEU  72 -12.578  12.589 -13.629
  591   3HD1  LEU  72          3HD1      LEU  72 -11.842  13.412 -12.253
  592   1HD2  LEU  72          1HD2      LEU  72 -12.546   9.520 -12.427
  593   2HD2  LEU  72          2HD2      LEU  72 -12.948  10.599 -11.091
  594   3HD2  LEU  72          3HD2      LEU  72 -13.480  10.986 -12.727
  595    H    THR  73           H        THR  73 -10.172   8.005 -15.185
  596    HA   THR  73           HA       THR  73  -7.980   8.730 -17.001
  597    HB   THR  73           HB       THR  73  -6.477   7.177 -15.992
  598    HG1  THR  73           HG1      THR  73  -7.080   5.654 -14.630
  599   1HG2  THR  73          1HG2      THR  73  -7.862   8.829 -13.904
  600   2HG2  THR  73          2HG2      THR  73  -6.407   7.885 -13.578
  601   3HG2  THR  73          3HG2      THR  73  -6.367   9.185 -14.769
  602    H    ARG  74           H        ARG  74  -9.545   8.180 -18.642
  603    HA   ARG  74           HA       ARG  74 -10.937   5.839 -18.939
  604   1HB   ARG  74          1HB       ARG  74  -9.894   7.898 -20.729
  605   2HB   ARG  74          2HB       ARG  74 -10.030   6.327 -21.507
  606   1HG   ARG  74          1HG       ARG  74 -12.374   6.204 -20.927
  607   2HG   ARG  74          2HG       ARG  74 -12.258   7.725 -20.042
  608   1HD   ARG  74          1HD       ARG  74 -12.262   8.977 -21.926
  609   2HD   ARG  74          2HD       ARG  74 -11.346   7.784 -22.847
  610    HE   ARG  74           HE       ARG  74 -14.225   7.966 -22.598
  611   1HH1  ARG  74          1HH1      ARG  74 -11.488   6.023 -23.524
  612   2HH1  ARG  74          2HH1      ARG  74 -12.412   4.978 -24.550
  613   1HH2  ARG  74          1HH2      ARG  74 -15.453   6.595 -23.945
  614   2HH2  ARG  74          2HH2      ARG  74 -14.667   5.304 -24.791
  615    H    ASN  75           H        ASN  75  -8.113   6.206 -21.013
  616    HA   ASN  75           HA       ASN  75  -7.187   3.549 -20.149
  617   1HB   ASN  75          1HB       ASN  75  -6.960   4.464 -23.004
  618   2HB   ASN  75          2HB       ASN  75  -6.859   2.830 -22.360
  619   1HD2  ASN  75          2HD2      ASN  75  -8.689   4.667 -24.212
  620   2HD2  ASN  75          1HD2      ASN  75 -10.259   4.038 -23.862
  621    H    GLY  76           H        GLY  76  -5.339   3.948 -19.097
  622   1HA   GLY  76          1HA       GLY  76  -3.162   4.583 -18.741
  623   2HA   GLY  76          2HA       GLY  76  -3.046   4.855 -20.474
  Start of MODEL   11
    1   2H    MET   0          2H        MET   0  22.669  -0.140   5.195
    2   3H    MET   0          3H        MET   0  22.628   1.548   5.503
    3   1H    MET   0          1H        MET   0  22.316   0.439   6.772
    4    HA   MET   0           HA       MET   0  20.646   1.233   4.522
    5   1HB   MET   0          1HB       MET   0  21.066  -1.471   5.529
    6   2HB   MET   0          2HB       MET   0  19.392  -0.957   5.687
    7   1HG   MET   0          1HG       MET   0  19.020  -1.145   3.506
    8   2HG   MET   0          2HG       MET   0  20.507  -0.293   3.094
    9   1HE   MET   0          1HE       MET   0  22.507  -1.232   2.246
   10   2HE   MET   0          2HE       MET   0  22.626  -2.876   1.621
   11   3HE   MET   0          3HE       MET   0  21.373  -1.792   1.017
   12    H    GLN   1           H        GLN   1  18.272   0.971   5.524
   13    HA   GLN   1           HA       GLN   1  16.746   1.619   7.095
   14   1HB   GLN   1          1HB       GLN   1  18.601   0.387   8.622
   15   2HB   GLN   1          2HB       GLN   1  18.720   2.019   9.265
   16   1HG   GLN   1          1HG       GLN   1  16.926   1.670  10.499
   17   2HG   GLN   1          2HG       GLN   1  15.973   1.377   9.045
   18   1HE2  GLN   1          2HE2      GLN   1  18.493  -0.361  10.847
   19   2HE2  GLN   1          1HE2      GLN   1  17.642  -1.862  10.922
   20    H    HIS   2           H        HIS   2  17.266   3.457   9.290
   21    HA   HIS   2           HA       HIS   2  16.778   5.882   8.146
   22   1HB   HIS   2          1HB       HIS   2  17.895   6.832  10.300
   23   2HB   HIS   2          2HB       HIS   2  16.454   5.830  10.447
   24    HD1  HIS   2           HD1      HIS   2  20.153   4.933  10.208
   25    HD2  HIS   2           HD2      HIS   2  16.820   4.243  12.594
   26    HE1  HIS   2           HE1      HIS   2  20.924   3.343  11.998
   27    HE2  HIS   2           HE2      HIS   2  18.904   2.981  13.461
   28    H    HIS   3           H        HIS   3  17.880   7.291   6.959
   29    HA   HIS   3           HA       HIS   3  19.608   8.071   5.661
   30   1HB   HIS   3          1HB       HIS   3  20.917   8.185   8.386
   31   2HB   HIS   3          2HB       HIS   3  21.354   9.154   6.981
   32    HD1  HIS   3           HD1      HIS   3  18.250   8.582   9.114
   33    HD2  HIS   3           HD2      HIS   3  20.192  11.588   7.004
   34    HE1  HIS   3           HE1      HIS   3  16.910  10.670   9.530
   35    HE2  HIS   3           HE2      HIS   3  18.049  12.454   8.163
   36    H    GLY   4           H        GLY   4  20.044   6.100   4.529
   37   1HA   GLY   4          1HA       GLY   4  22.762   5.189   4.958
   38   2HA   GLY   4          2HA       GLY   4  21.532   3.953   5.177
   39    H    VAL   5           H        VAL   5  21.088   2.770   3.453
   40    HA   VAL   5           HA       VAL   5  21.565   3.943   0.790
   41    HB   VAL   5           HB       VAL   5  22.000   1.088   1.672
   42   1HG1  VAL   5          1HG1      VAL   5  21.634   2.292  -0.983
   43   2HG1  VAL   5          2HG1      VAL   5  23.035   1.233  -0.826
   44   3HG1  VAL   5          3HG1      VAL   5  21.423   0.624  -0.452
   45   1HG2  VAL   5          1HG2      VAL   5  23.729   2.842   2.266
   46   2HG2  VAL   5          2HG2      VAL   5  24.306   1.459   1.334
   47   3HG2  VAL   5          3HG2      VAL   5  24.017   3.005   0.533
   48    H    THR   6           H        THR   6  19.583   4.425   0.047
   49    HA   THR   6           HA       THR   6  17.478   2.380   0.290
   50    HB   THR   6           HB       THR   6  16.302   4.772  -0.575
   51    HG1  THR   6           HG1      THR   6  17.938   6.058   0.051
   52   1HG2  THR   6          1HG2      THR   6  16.312   3.198   1.926
   53   2HG2  THR   6          2HG2      THR   6  15.690   4.845   2.003
   54   3HG2  THR   6          3HG2      THR   6  14.970   3.682   0.890
   55    H    LYS   7           H        LYS   7  15.739   3.152  -1.629
   56    HA   LYS   7           HA       LYS   7  16.703   3.829  -4.132
   57   1HB   LYS   7          1HB       LYS   7  17.970   1.592  -3.603
   58   2HB   LYS   7          2HB       LYS   7  16.442   0.847  -4.046
   59   1HG   LYS   7          1HG       LYS   7  16.553   1.696  -6.245
   60   2HG   LYS   7          2HG       LYS   7  17.868   2.798  -5.830
   61   1HD   LYS   7          1HD       LYS   7  19.422   1.223  -6.151
   62   2HD   LYS   7          2HD       LYS   7  18.500   0.015  -5.253
   63   1HE   LYS   7          1HE       LYS   7  16.998   0.070  -7.428
   64   2HE   LYS   7          2HE       LYS   7  18.495   0.644  -8.160
   65   1HZ   LYS   7          1HZ       LYS   7  19.586  -1.348  -7.152
   66   2HZ   LYS   7          2HZ       LYS   7  18.048  -1.922  -6.746
   67   3HZ   LYS   7          3HZ       LYS   7  18.465  -1.695  -8.370
   68    H    CYS   8           H        CYS   8  14.795   4.698  -4.665
   69    HA   CYS   8           HA       CYS   8  12.696   4.669  -5.616
   70   1HB   CYS   8          1HB       CYS   8  13.249   2.137  -5.992
   71   2HB   CYS   8          2HB       CYS   8  12.169   1.891  -4.623
   72    H    ASN   9           H        ASN   9  11.248   5.855  -4.586
   73    HA   ASN   9           HA       ASN   9  10.951   6.355  -1.983
   74   1HB   ASN   9          1HB       ASN   9   8.812   7.235  -2.406
   75   2HB   ASN   9          2HB       ASN   9   9.626   7.315  -3.965
   76   1HD2  ASN   9          2HD2      ASN   9   9.127   5.696  -5.539
   77   2HD2  ASN   9          1HD2      ASN   9   7.586   4.916  -5.519
   78    H    ILE  10           H        ILE  10   9.336   3.671  -3.650
   79    HA   ILE  10           HA       ILE  10   8.995   2.363  -1.041
   80    HB   ILE  10           HB       ILE  10   6.837   3.395  -1.808
   81   1HG1  ILE  10          1HG1      ILE  10   6.460   0.437  -1.812
   82   2HG1  ILE  10          2HG1      ILE  10   7.264   1.164  -0.425
   83   1HG2  ILE  10          1HG2      ILE  10   7.424   2.671  -4.261
   84   2HG2  ILE  10          2HG2      ILE  10   6.590   1.188  -3.795
   85   3HG2  ILE  10          3HG2      ILE  10   5.748   2.736  -3.717
   86   1HD1  ILE  10          1HD1      ILE  10   4.713   2.354  -1.351
   87   2HD1  ILE  10          2HD1      ILE  10   4.668   0.822  -0.480
   88   3HD1  ILE  10          3HD1      ILE  10   5.393   2.243   0.272
   89    H    THR  11           H        THR  11   9.828   0.387  -1.023
   90    HA   THR  11           HA       THR  11  10.253  -0.975  -3.601
   91    HB   THR  11           HB       THR  11  12.328  -0.396  -2.420
   92    HG1  THR  11           HG1      THR  11  13.183  -2.532  -2.360
   93   1HG2  THR  11          1HG2      THR  11  10.933  -1.265  -0.110
   94   2HG2  THR  11          2HG2      THR  11  12.344  -2.298  -0.335
   95   3HG2  THR  11          3HG2      THR  11  12.541  -0.549  -0.231
   96    H    CYS  12           H        CYS  12   9.001  -2.672  -3.966
   97    HA   CYS  12           HA       CYS  12   7.275  -3.769  -2.011
   98   1HB   CYS  12          1HB       CYS  12   8.050  -4.921  -4.701
   99   2HB   CYS  12          2HB       CYS  12   6.646  -5.377  -3.740
  100    H    SER  13           H        SER  13   9.274  -4.096  -0.529
  101    HA   SER  13           HA       SER  13  10.863  -6.429  -1.002
  102   1HB   SER  13          1HB       SER  13  10.430  -4.903   1.577
  103   2HB   SER  13          2HB       SER  13  11.718  -6.063   1.257
  104    HG   SER  13           HG       SER  13  12.772  -4.597   0.163
  105    H    LYS  14           H        LYS  14   7.708  -5.919   0.082
  106    HA   LYS  14           HA       LYS  14   7.466  -8.723   0.821
  107   1HB   LYS  14          1HB       LYS  14   6.599  -8.413   2.952
  108   2HB   LYS  14          2HB       LYS  14   7.889  -7.220   2.897
  109   1HG   LYS  14          1HG       LYS  14   4.935  -6.754   2.618
  110   2HG   LYS  14          2HG       LYS  14   6.015  -6.173   3.888
  111   1HD   LYS  14          1HD       LYS  14   7.186  -4.779   2.255
  112   2HD   LYS  14          2HD       LYS  14   6.118  -5.369   0.979
  113   1HE   LYS  14          1HE       LYS  14   5.097  -3.385   1.522
  114   2HE   LYS  14          2HE       LYS  14   4.233  -4.505   2.574
  115   1HZ   LYS  14          1HZ       LYS  14   6.639  -3.110   3.546
  116   2HZ   LYS  14          2HZ       LYS  14   5.142  -2.325   3.553
  117   3HZ   LYS  14          3HZ       LYS  14   5.351  -3.756   4.433
  118    H    MET  15           H        MET  15   4.894  -8.805   1.668
  119    HA   MET  15           HA       MET  15   3.341  -7.462  -0.440
  120   1HB   MET  15          1HB       MET  15   3.311 -10.381   0.306
  121   2HB   MET  15          2HB       MET  15   1.982  -9.620  -0.556
  122   1HG   MET  15          1HG       MET  15   4.834  -9.856  -1.484
  123   2HG   MET  15          2HG       MET  15   3.439 -10.729  -2.112
  124   1HE   MET  15          1HE       MET  15   5.544  -9.378  -3.628
  125   2HE   MET  15          2HE       MET  15   4.897  -8.185  -4.755
  126   3HE   MET  15          3HE       MET  15   5.679  -7.657  -3.266
  127    H    THR  16           H        THR  16   1.406  -6.654   0.171
  128    HA   THR  16           HA       THR  16   0.801  -6.623   2.990
  129    HB   THR  16           HB       THR  16   0.579  -4.697   1.234
  130    HG1  THR  16           HG1      THR  16  -1.677  -4.780   2.841
  131   1HG2  THR  16          1HG2      THR  16  -1.033  -6.027  -0.190
  132   2HG2  THR  16          2HG2      THR  16  -2.226  -5.745   1.080
  133   3HG2  THR  16          3HG2      THR  16  -1.510  -4.381   0.223
  134    H    SER  17           H        SER  17  -1.841  -6.590   3.274
  135    HA   SER  17           HA       SER  17  -2.635  -9.307   2.488
  136   1HB   SER  17          1HB       SER  17  -4.026  -7.737   4.631
  137   2HB   SER  17          2HB       SER  17  -3.853  -9.483   4.465
  138    HG   SER  17           HG       SER  17  -1.423  -8.502   4.671
  139    H    LYS  18           H        LYS  18  -5.010  -9.644   2.197
  140    HA   LYS  18           HA       LYS  18  -5.985  -8.144   0.074
  141   1HB   LYS  18          1HB       LYS  18  -6.692 -10.484   1.116
  142   2HB   LYS  18          2HB       LYS  18  -7.934  -9.500   1.876
  143   1HG   LYS  18          1HG       LYS  18  -8.240  -8.626  -0.602
  144   2HG   LYS  18          2HG       LYS  18  -7.551 -10.207  -0.975
  145   1HD   LYS  18          1HD       LYS  18  -9.590 -11.062  -0.716
  146   2HD   LYS  18          2HD       LYS  18  -9.452 -10.697   1.005
  147   1HE   LYS  18          1HE       LYS  18 -11.447  -9.670   0.378
  148   2HE   LYS  18          2HE       LYS  18 -10.275  -8.352   0.374
  149   1HZ   LYS  18          1HZ       LYS  18 -10.031  -8.841  -2.085
  150   2HZ   LYS  18          2HZ       LYS  18 -11.440  -9.769  -1.946
  151   3HZ   LYS  18          3HZ       LYS  18 -11.480  -8.114  -1.597
  152    H    ILE  19           H        ILE  19  -6.480  -6.054   0.105
  153    HA   ILE  19           HA       ILE  19  -7.856  -4.960   2.467
  154    HB   ILE  19           HB       ILE  19  -6.637  -3.216   0.367
  155   1HG1  ILE  19          1HG1      ILE  19  -5.139  -4.606   2.596
  156   2HG1  ILE  19          2HG1      ILE  19  -4.856  -4.784   0.868
  157   1HG2  ILE  19          1HG2      ILE  19  -7.174  -2.986   3.317
  158   2HG2  ILE  19          2HG2      ILE  19  -6.219  -1.807   2.416
  159   3HG2  ILE  19          3HG2      ILE  19  -7.912  -2.073   2.001
  160   1HD1  ILE  19          1HD1      ILE  19  -4.571  -2.096   1.216
  161   2HD1  ILE  19          2HD1      ILE  19  -3.921  -2.744   2.722
  162   3HD1  ILE  19          3HD1      ILE  19  -3.256  -3.270   1.176
  163    HA   PRO  20           HA       PRO  20 -11.642  -4.499   0.259
  164   1HB   PRO  20          1HB       PRO  20 -11.839  -1.900   1.684
  165   2HB   PRO  20          2HB       PRO  20 -12.978  -3.244   1.640
  166   1HG   PRO  20          1HG       PRO  20 -11.482  -2.768   3.794
  167   2HG   PRO  20          2HG       PRO  20 -11.849  -4.416   3.267
  168   1HD   PRO  20          1HD       PRO  20  -9.325  -2.854   2.984
  169   2HD   PRO  20          2HD       PRO  20  -9.549  -4.590   3.285
  170    H    VAL  21           H        VAL  21 -11.847  -3.882  -1.789
  171    HA   VAL  21           HA       VAL  21 -10.200  -1.999  -3.054
  172    HB   VAL  21           HB       VAL  21 -11.420  -3.849  -4.211
  173   1HG1  VAL  21          1HG1      VAL  21 -13.601  -3.446  -3.087
  174   2HG1  VAL  21          2HG1      VAL  21 -13.794  -1.995  -4.072
  175   3HG1  VAL  21          3HG1      VAL  21 -13.722  -3.581  -4.842
  176   1HG2  VAL  21          1HG2      VAL  21 -11.399  -1.031  -5.171
  177   2HG2  VAL  21          2HG2      VAL  21 -10.485  -2.428  -5.741
  178   3HG2  VAL  21          3HG2      VAL  21 -12.189  -2.257  -6.164
  179    H    ALA  22           H        ALA  22 -13.176  -1.640  -1.328
  180    HA   ALA  22           HA       ALA  22 -14.022   0.821  -2.451
  181   1HB   ALA  22          1HB       ALA  22 -14.874  -0.944  -0.350
  182   2HB   ALA  22          2HB       ALA  22 -14.940   0.733   0.193
  183   3HB   ALA  22          3HB       ALA  22 -15.807   0.243  -1.262
  184    H    LEU  23           H        LEU  23 -11.324   0.110  -0.637
  185    HA   LEU  23           HA       LEU  23 -11.225   2.774   0.594
  186   1HB   LEU  23          1HB       LEU  23  -9.471   0.367   1.084
  187   2HB   LEU  23          2HB       LEU  23  -9.373   1.895   1.938
  188    HG   LEU  23           HG       LEU  23 -11.670  -0.059   2.033
  189   1HD1  LEU  23          1HD1      LEU  23  -9.406   0.603   3.858
  190   2HD1  LEU  23          2HD1      LEU  23 -10.948   0.078   4.533
  191   3HD1  LEU  23          3HD1      LEU  23 -10.072  -0.969   3.416
  192   1HD2  LEU  23          1HD2      LEU  23 -11.340   2.696   3.180
  193   2HD2  LEU  23          2HD2      LEU  23 -12.660   2.065   2.194
  194   3HD2  LEU  23          3HD2      LEU  23 -12.464   1.518   3.859
  195    H    LEU  24           H        LEU  24  -9.998   0.918  -1.983
  196    HA   LEU  24           HA       LEU  24  -7.513   2.334  -2.281
  197   1HB   LEU  24          1HB       LEU  24  -8.936   0.658  -4.343
  198   2HB   LEU  24          2HB       LEU  24  -7.236   1.081  -4.309
  199    HG   LEU  24           HG       LEU  24  -8.640  -0.729  -2.341
  200   1HD1  LEU  24          1HD1      LEU  24  -7.042  -1.204  -4.802
  201   2HD1  LEU  24          2HD1      LEU  24  -6.864  -2.320  -3.450
  202   3HD1  LEU  24          3HD1      LEU  24  -8.448  -2.068  -4.182
  203   1HD2  LEU  24          1HD2      LEU  24  -6.442   0.793  -1.840
  204   2HD2  LEU  24          2HD2      LEU  24  -6.795  -0.752  -1.066
  205   3HD2  LEU  24          3HD2      LEU  24  -5.712  -0.690  -2.457
  206    H    ILE  25           H        ILE  25  -7.049   4.027  -3.611
  207    HA   ILE  25           HA       ILE  25  -9.338   5.265  -4.998
  208    HB   ILE  25           HB       ILE  25  -8.299   7.436  -4.636
  209   1HG1  ILE  25          1HG1      ILE  25  -6.230   5.995  -2.965
  210   2HG1  ILE  25          2HG1      ILE  25  -5.942   6.559  -4.609
  211   1HG2  ILE  25          1HG2      ILE  25  -9.846   6.445  -2.946
  212   2HG2  ILE  25          2HG2      ILE  25  -8.430   5.943  -2.024
  213   3HG2  ILE  25          3HG2      ILE  25  -8.740   7.656  -2.298
  214   1HD1  ILE  25          1HD1      ILE  25  -6.863   8.444  -2.480
  215   2HD1  ILE  25          2HD1      ILE  25  -5.161   8.016  -2.654
  216   3HD1  ILE  25          3HD1      ILE  25  -6.017   8.791  -3.988
  217    H    HIS  26           H        HIS  26  -5.969   4.353  -5.193
  218    HA   HIS  26           HA       HIS  26  -6.036   4.300  -8.036
  219   1HB   HIS  26          1HB       HIS  26  -5.396   6.796  -6.925
  220   2HB   HIS  26          2HB       HIS  26  -3.859   6.104  -7.433
  221    HD1  HIS  26           HD1      HIS  26  -5.198   4.593  -9.947
  222    HD2  HIS  26           HD2      HIS  26  -5.438   8.637  -9.021
  223    HE1  HIS  26           HE1      HIS  26  -5.696   5.752 -12.122
  224    HE2  HIS  26           HE2      HIS  26  -5.751   8.206 -11.551
  225    H    TYR  27           H        TYR  27  -4.198   3.307  -8.948
  226    HA   TYR  27           HA       TYR  27  -2.420   2.054  -6.961
  227   1HB   TYR  27          1HB       TYR  27  -2.196   0.180  -8.534
  228   2HB   TYR  27          2HB       TYR  27  -3.879   0.447  -8.096
  229    HD1  TYR  27           HD1      TYR  27  -1.393   0.683 -10.788
  230    HD2  TYR  27           HD2      TYR  27  -5.488   1.229  -9.733
  231    HE1  TYR  27           HE1      TYR  27  -1.984   0.825 -13.175
  232    HE2  TYR  27           HE2      TYR  27  -6.090   1.373 -12.117
  233    HH   TYR  27           HH       TYR  27  -4.590   2.102 -14.354
  234    H    GLN  28           H        GLN  28  -0.441   1.066  -8.474
  235    HA   GLN  28           HA       GLN  28   0.563   3.039 -10.322
  236   1HB   GLN  28          1HB       GLN  28   2.299   2.566  -7.933
  237   2HB   GLN  28          2HB       GLN  28   2.328   3.893  -9.087
  238   1HG   GLN  28          1HG       GLN  28   0.289   4.795  -8.148
  239   2HG   GLN  28          2HG       GLN  28   0.185   3.438  -7.028
  240   1HE2  GLN  28          2HE2      GLN  28   0.264   6.188  -6.336
  241   2HE2  GLN  28          1HE2      GLN  28   1.693   6.449  -5.404
  242    H    GLN  29           H        GLN  29   2.700   2.420 -11.204
  243    HA   GLN  29           HA       GLN  29   3.011  -0.507 -11.158
  244   1HB   GLN  29          1HB       GLN  29   2.459   0.984 -13.318
  245   2HB   GLN  29          2HB       GLN  29   4.213   1.099 -13.350
  246   1HG   GLN  29          1HG       GLN  29   4.457  -1.007 -14.043
  247   2HG   GLN  29          2HG       GLN  29   3.224  -1.615 -12.939
  248   1HE2  GLN  29          2HE2      GLN  29   1.293  -2.142 -13.732
  249   2HE2  GLN  29          1HE2      GLN  29   0.763  -1.841 -15.348
  250    H    ASN  30           H        ASN  30   4.558  -0.927  -9.689
  251    HA   ASN  30           HA       ASN  30   6.712   0.704  -9.008
  252   1HB   ASN  30          1HB       ASN  30   5.712  -1.655  -8.073
  253   2HB   ASN  30          2HB       ASN  30   7.217  -2.193  -8.813
  254   1HD2  ASN  30          2HD2      ASN  30   8.214  -2.685  -6.899
  255   2HD2  ASN  30          1HD2      ASN  30   8.714  -1.485  -5.762
  256    H    GLN  31           H        GLN  31   8.763   0.942  -9.741
  257    HA   GLN  31           HA       GLN  31   9.320   0.199 -12.436
  258   1HB   GLN  31          1HB       GLN  31  10.473   1.930 -10.419
  259   2HB   GLN  31          2HB       GLN  31  11.722   1.038 -11.275
  260   1HG   GLN  31          1HG       GLN  31   9.564   2.472 -12.770
  261   2HG   GLN  31          2HG       GLN  31  10.984   3.331 -12.173
  262   1HE2  GLN  31          2HE2      GLN  31   9.954   2.577 -14.912
  263   2HE2  GLN  31          1HE2      GLN  31  11.314   1.852 -15.691
  264    H    ALA  32           H        ALA  32  11.381  -0.889 -13.072
  265    HA   ALA  32           HA       ALA  32  11.512  -3.466 -11.836
  266   1HB   ALA  32          1HB       ALA  32  11.735  -3.071 -14.287
  267   2HB   ALA  32          2HB       ALA  32  13.318  -2.359 -13.978
  268   3HB   ALA  32          3HB       ALA  32  13.024  -4.055 -13.594
  269    H    SER  33           H        SER  33  12.846  -0.598 -10.945
  270    HA   SER  33           HA       SER  33  15.316  -1.831  -9.929
  271   1HB   SER  33          1HB       SER  33  15.860   0.675  -9.431
  272   2HB   SER  33          2HB       SER  33  15.982   0.078 -11.086
  273    HG   SER  33           HG       SER  33  14.773   1.841 -11.328
  274    H    CYS  34           H        CYS  34  12.377  -1.729  -8.895
  275    HA   CYS  34           HA       CYS  34  13.089  -0.932  -6.149
  276   1HB   CYS  34          1HB       CYS  34  10.252  -0.934  -7.127
  277   2HB   CYS  34          2HB       CYS  34  10.959  -0.053  -5.775
  278    H    GLY  35           H        GLY  35  13.373  -2.704  -4.965
  279   1HA   GLY  35          1HA       GLY  35  13.222  -4.940  -4.349
  280   2HA   GLY  35          2HA       GLY  35  11.545  -4.471  -4.117
  281    H    LYS  36           H        LYS  36  10.147  -5.791  -5.055
  282    HA   LYS  36           HA       LYS  36  11.011  -7.296  -7.429
  283   1HB   LYS  36          1HB       LYS  36   8.879  -7.873  -5.371
  284   2HB   LYS  36          2HB       LYS  36   9.071  -8.803  -6.849
  285   1HG   LYS  36          1HG       LYS  36  10.466 -10.104  -5.735
  286   2HG   LYS  36          2HG       LYS  36  11.607  -8.757  -5.719
  287   1HD   LYS  36          1HD       LYS  36  11.440  -9.301  -3.471
  288   2HD   LYS  36          2HD       LYS  36  10.279  -7.981  -3.633
  289   1HE   LYS  36          1HE       LYS  36   9.113  -9.575  -2.405
  290   2HE   LYS  36          2HE       LYS  36   8.549  -9.837  -4.055
  291   1HZ   LYS  36          1HZ       LYS  36  10.382 -11.581  -4.165
  292   2HZ   LYS  36          2HZ       LYS  36  10.436 -11.474  -2.477
  293   3HZ   LYS  36          3HZ       LYS  36   9.011 -11.955  -3.251
  294    H    ARG  37           H        ARG  37   9.638  -7.476  -9.228
  295    HA   ARG  37           HA       ARG  37   8.218  -5.133  -9.899
  296   1HB   ARG  37          1HB       ARG  37   9.199  -7.381 -11.258
  297   2HB   ARG  37          2HB       ARG  37   7.464  -7.391 -11.540
  298   1HG   ARG  37          1HG       ARG  37   8.087  -4.770 -11.968
  299   2HG   ARG  37          2HG       ARG  37   9.527  -5.598 -12.567
  300   1HD   ARG  37          1HD       ARG  37   6.670  -6.025 -13.425
  301   2HD   ARG  37          2HD       ARG  37   7.990  -5.360 -14.385
  302    HE   ARG  37           HE       ARG  37   8.636  -7.967 -13.502
  303   1HH1  ARG  37          1HH1      ARG  37   6.615  -6.270 -15.775
  304   2HH1  ARG  37          2HH1      ARG  37   6.566  -7.580 -16.907
  305   1HH2  ARG  37          1HH2      ARG  37   8.579  -9.697 -14.986
  306   2HH2  ARG  37          2HH2      ARG  37   7.683  -9.530 -16.458
  307    H    ALA  38           H        ALA  38   6.624  -4.831  -8.314
  308    HA   ALA  38           HA       ALA  38   4.318  -6.651  -8.554
  309   1HB   ALA  38          1HB       ALA  38   5.472  -6.794  -6.348
  310   2HB   ALA  38          2HB       ALA  38   5.067  -5.098  -6.081
  311   3HB   ALA  38          3HB       ALA  38   3.783  -6.296  -6.247
  312    H    ILE  39           H        ILE  39   2.583  -5.055  -6.985
  313    HA   ILE  39           HA       ILE  39   2.293  -2.667  -8.692
  314    HB   ILE  39           HB       ILE  39   0.152  -4.526  -7.669
  315   1HG1  ILE  39          1HG1      ILE  39   1.381  -5.086  -9.800
  316   2HG1  ILE  39          2HG1      ILE  39  -0.360  -4.893  -9.978
  317   1HG2  ILE  39          1HG2      ILE  39  -0.055  -1.738  -8.748
  318   2HG2  ILE  39          2HG2      ILE  39  -1.382  -2.888  -8.914
  319   3HG2  ILE  39          3HG2      ILE  39  -0.807  -2.432  -7.311
  320   1HD1  ILE  39          1HD1      ILE  39   1.090  -2.417 -10.411
  321   2HD1  ILE  39          2HD1      ILE  39   1.568  -3.703 -11.520
  322   3HD1  ILE  39          3HD1      ILE  39  -0.123  -3.214 -11.413
  323    H    ILE  40           H        ILE  40   1.393  -0.806  -7.735
  324    HA   ILE  40           HA       ILE  40   1.661  -0.748  -4.808
  325    HB   ILE  40           HB       ILE  40   1.504   1.738  -6.462
  326   1HG1  ILE  40          1HG1      ILE  40   3.163   0.379  -7.625
  327   2HG1  ILE  40          2HG1      ILE  40   3.961   1.683  -6.750
  328   1HG2  ILE  40          1HG2      ILE  40   1.480   1.818  -3.991
  329   2HG2  ILE  40          2HG2      ILE  40   3.072   1.059  -3.979
  330   3HG2  ILE  40          3HG2      ILE  40   2.862   2.656  -4.696
  331   1HD1  ILE  40          1HD1      ILE  40   4.106  -0.225  -4.892
  332   2HD1  ILE  40          2HD1      ILE  40   4.087  -1.232  -6.341
  333   3HD1  ILE  40          3HD1      ILE  40   5.331   0.003  -6.141
  334    H    LEU  41           H        LEU  41  -0.034  -0.284  -3.541
  335    HA   LEU  41           HA       LEU  41  -2.540   0.515  -4.866
  336   1HB   LEU  41          1HB       LEU  41  -2.028  -1.241  -2.479
  337   2HB   LEU  41          2HB       LEU  41  -3.607  -0.545  -2.794
  338    HG   LEU  41           HG       LEU  41  -2.164  -2.705  -4.252
  339   1HD1  LEU  41          1HD1      LEU  41  -4.317  -2.620  -2.567
  340   2HD1  LEU  41          2HD1      LEU  41  -5.081  -2.650  -4.156
  341   3HD1  LEU  41          3HD1      LEU  41  -3.951  -3.923  -3.698
  342   1HD2  LEU  41          1HD2      LEU  41  -4.185  -0.857  -5.515
  343   2HD2  LEU  41          2HD2      LEU  41  -2.501  -1.064  -5.999
  344   3HD2  LEU  41          3HD2      LEU  41  -3.646  -2.392  -6.197
  345    H    GLU  42           H        GLU  42  -3.225   2.484  -4.421
  346    HA   GLU  42           HA       GLU  42  -2.362   3.749  -1.905
  347   1HB   GLU  42          1HB       GLU  42  -1.638   4.776  -4.118
  348   2HB   GLU  42          2HB       GLU  42  -3.329   5.182  -4.378
  349   1HG   GLU  42          1HG       GLU  42  -3.362   6.696  -2.604
  350   2HG   GLU  42          2HG       GLU  42  -1.887   6.037  -1.899
  351    H    THR  43           H        THR  43  -3.862   4.292  -0.451
  352    HA   THR  43           HA       THR  43  -6.683   4.012  -1.223
  353    HB   THR  43           HB       THR  43  -7.171   3.530   1.062
  354    HG1  THR  43           HG1      THR  43  -6.014   4.340   2.593
  355   1HG2  THR  43          1HG2      THR  43  -4.754   2.134   0.022
  356   2HG2  THR  43          2HG2      THR  43  -5.341   1.782   1.648
  357   3HG2  THR  43          3HG2      THR  43  -6.393   1.528   0.255
  358    H    ARG  44           H        ARG  44  -8.217   5.439   0.025
  359    HA   ARG  44           HA       ARG  44  -7.572   8.155  -0.474
  360   1HB   ARG  44          1HB       ARG  44  -9.777   8.635   0.544
  361   2HB   ARG  44          2HB       ARG  44  -9.855   7.376  -0.682
  362   1HG   ARG  44          1HG       ARG  44  -9.574   5.790   1.394
  363   2HG   ARG  44          2HG       ARG  44 -10.222   7.185   2.259
  364   1HD   ARG  44          1HD       ARG  44 -11.958   5.565   1.527
  365   2HD   ARG  44          2HD       ARG  44 -12.191   7.194   0.893
  366    HE   ARG  44           HE       ARG  44 -10.721   5.627  -0.943
  367   1HH1  ARG  44          1HH1      ARG  44 -13.935   6.056   0.327
  368   2HH1  ARG  44          2HH1      ARG  44 -14.718   5.479  -1.106
  369   1HH2  ARG  44          1HH2      ARG  44 -11.742   4.867  -2.836
  370   2HH2  ARG  44          2HH2      ARG  44 -13.471   4.803  -2.905
  371    H    GLN  45           H        GLN  45  -6.722   6.164   2.055
  372    HA   GLN  45           HA       GLN  45  -6.618   8.368   3.994
  373   1HB   GLN  45          1HB       GLN  45  -7.517   5.849   4.382
  374   2HB   GLN  45          2HB       GLN  45  -5.829   5.638   4.824
  375   1HG   GLN  45          1HG       GLN  45  -5.999   6.952   6.672
  376   2HG   GLN  45          2HG       GLN  45  -7.283   7.947   5.985
  377   1HE2  GLN  45          2HE2      GLN  45  -9.351   6.630   5.551
  378   2HE2  GLN  45          1HE2      GLN  45  -9.868   5.614   6.849
  379    H    HIS  46           H        HIS  46  -4.799   7.694   1.621
  380    HA   HIS  46           HA       HIS  46  -2.595   7.968   1.126
  381   1HB   HIS  46          1HB       HIS  46  -2.574   8.842   4.007
  382   2HB   HIS  46          2HB       HIS  46  -1.096   8.780   3.053
  383    HD1  HIS  46           HD1      HIS  46  -2.064   9.954   0.412
  384    HD2  HIS  46           HD2      HIS  46  -3.089  11.503   4.129
  385    HE1  HIS  46           HE1      HIS  46  -2.685  12.355  -0.008
  386    HE2  HIS  46           HE2      HIS  46  -3.410  13.237   2.237
  387    H    ARG  47           H        ARG  47  -3.471   5.400   1.557
  388    HA   ARG  47           HA       ARG  47  -1.319   4.124   3.100
  389   1HB   ARG  47          1HB       ARG  47  -3.709   3.537   3.621
  390   2HB   ARG  47          2HB       ARG  47  -3.823   2.835   2.013
  391   1HG   ARG  47          1HG       ARG  47  -1.549   1.688   3.141
  392   2HG   ARG  47          2HG       ARG  47  -2.753   1.711   4.434
  393   1HD   ARG  47          1HD       ARG  47  -3.663   0.833   1.754
  394   2HD   ARG  47          2HD       ARG  47  -2.592  -0.258   2.634
  395    HE   ARG  47           HE       ARG  47  -5.319   0.452   3.324
  396   1HH1  ARG  47          1HH1      ARG  47  -2.328  -1.023   4.324
  397   2HH1  ARG  47          2HH1      ARG  47  -3.059  -1.956   5.588
  398   1HH2  ARG  47          1HH2      ARG  47  -6.293  -0.773   4.985
  399   2HH2  ARG  47          2HH2      ARG  47  -5.313  -1.813   5.961
  400    H    LEU  48           H        LEU  48   0.399   3.646   1.903
  401    HA   LEU  48           HA       LEU  48  -0.027   2.676  -0.844
  402   1HB   LEU  48          1HB       LEU  48   2.656   3.588   0.047
  403   2HB   LEU  48          2HB       LEU  48   1.899   3.709  -1.530
  404    HG   LEU  48           HG       LEU  48   1.041   5.397   0.814
  405   1HD1  LEU  48          1HD1      LEU  48   3.417   5.602  -0.855
  406   2HD1  LEU  48          2HD1      LEU  48   2.408   7.047  -0.908
  407   3HD1  LEU  48          3HD1      LEU  48   3.003   6.444   0.640
  408   1HD2  LEU  48          1HD2      LEU  48   0.024   4.970  -1.800
  409   2HD2  LEU  48          2HD2      LEU  48  -0.545   6.094  -0.567
  410   3HD2  LEU  48          3HD2      LEU  48   0.680   6.605  -1.728
  411    H    PHE  49           H        PHE  49   0.131   0.541  -0.980
  412    HA   PHE  49           HA       PHE  49   2.302  -0.793   0.486
  413   1HB   PHE  49          1HB       PHE  49  -0.606  -1.517   0.414
  414   2HB   PHE  49          2HB       PHE  49   0.607  -2.779   0.607
  415    HD1  PHE  49           HD1      PHE  49  -0.845   0.249   2.120
  416    HD2  PHE  49           HD2      PHE  49   1.782  -3.067   2.654
  417    HE1  PHE  49           HE1      PHE  49  -0.741   0.727   4.535
  418    HE2  PHE  49           HE2      PHE  49   1.890  -2.597   5.072
  419    HZ   PHE  49           HZ       PHE  49   0.627  -0.698   6.014
  420    H    CYS  50           H        CYS  50   2.906  -2.896  -0.431
  421    HA   CYS  50           HA       CYS  50   2.637  -2.851  -3.356
  422   1HB   CYS  50          1HB       CYS  50   4.781  -3.738  -1.484
  423   2HB   CYS  50          2HB       CYS  50   4.632  -4.579  -3.023
  424    H    ALA  51           H        ALA  51   1.095  -4.160  -4.083
  425    HA   ALA  51           HA       ALA  51   0.689  -6.745  -2.735
  426   1HB   ALA  51          1HB       ALA  51  -1.169  -4.835  -3.195
  427   2HB   ALA  51          2HB       ALA  51  -1.361  -5.835  -4.634
  428   3HB   ALA  51          3HB       ALA  51  -1.531  -6.553  -3.033
  429    H    ASP  52           H        ASP  52   0.772  -8.627  -3.872
  430    HA   ASP  52           HA       ASP  52   2.242  -8.663  -6.295
  431   1HB   ASP  52          1HB       ASP  52   1.443 -10.542  -4.325
  432   2HB   ASP  52          2HB       ASP  52   0.888 -11.154  -5.881
  433    HA   PRO  53           HA       PRO  53  -1.056  -7.972  -9.178
  434   1HB   PRO  53          1HB       PRO  53   0.235  -9.025 -11.368
  435   2HB   PRO  53          2HB       PRO  53   0.465  -7.381 -10.765
  436   1HG   PRO  53          1HG       PRO  53   2.134  -9.815 -10.316
  437   2HG   PRO  53          2HG       PRO  53   2.644  -8.144 -10.620
  438   1HD   PRO  53          1HD       PRO  53   2.691  -9.206  -8.153
  439   2HD   PRO  53          2HD       PRO  53   2.273  -7.502  -8.425
  440    H    LYS  54           H        LYS  54   0.242 -10.997  -8.280
  441    HA   LYS  54           HA       LYS  54  -1.400 -12.615  -9.992
  442   1HB   LYS  54          1HB       LYS  54  -0.075 -13.531  -7.447
  443   2HB   LYS  54          2HB       LYS  54  -0.475 -14.483  -8.868
  444   1HG   LYS  54          1HG       LYS  54   1.246 -13.389 -10.148
  445   2HG   LYS  54          2HG       LYS  54   1.591 -12.296  -8.807
  446   1HD   LYS  54          1HD       LYS  54   3.261 -13.976  -8.747
  447   2HD   LYS  54          2HD       LYS  54   2.137 -14.344  -7.436
  448   1HE   LYS  54          1HE       LYS  54   1.110 -15.682  -9.647
  449   2HE   LYS  54          2HE       LYS  54   2.853 -15.916  -9.758
  450   1HZ   LYS  54          1HZ       LYS  54   2.488 -16.419  -7.190
  451   2HZ   LYS  54          2HZ       LYS  54   0.971 -16.898  -7.766
  452   3HZ   LYS  54          3HZ       LYS  54   2.374 -17.618  -8.377
  453    H    GLU  55           H        GLU  55  -1.627 -11.306  -6.750
  454    HA   GLU  55           HA       GLU  55  -3.745 -12.882  -5.795
  455   1HB   GLU  55          1HB       GLU  55  -3.470  -9.991  -5.042
  456   2HB   GLU  55          2HB       GLU  55  -3.914 -11.362  -4.035
  457   1HG   GLU  55          1HG       GLU  55  -1.558 -12.189  -4.305
  458   2HG   GLU  55          2HG       GLU  55  -1.184 -10.639  -5.057
  459    H    GLN  56           H        GLN  56  -5.888 -12.860  -6.135
  460    HA   GLN  56           HA       GLN  56  -6.995 -11.569  -8.353
  461   1HB   GLN  56          1HB       GLN  56  -7.841 -13.643  -7.104
  462   2HB   GLN  56          2HB       GLN  56  -8.617 -12.516  -6.000
  463   1HG   GLN  56          1HG       GLN  56  -9.180 -12.990  -8.901
  464   2HG   GLN  56          2HG       GLN  56 -10.281 -13.085  -7.527
  465   1HE2  GLN  56          2HE2      GLN  56  -8.641 -10.981  -9.752
  466   2HE2  GLN  56          1HE2      GLN  56  -9.550  -9.555  -9.395
  467    H    TRP  57           H        TRP  57  -7.383 -10.825  -4.889
  468    HA   TRP  57           HA       TRP  57  -9.107  -8.711  -5.027
  469   1HB   TRP  57          1HB       TRP  57  -8.444  -8.143  -2.886
  470   2HB   TRP  57          2HB       TRP  57  -7.884  -9.808  -2.990
  471    HD1  TRP  57           HD1      TRP  57  -5.183 -10.132  -3.431
  472    HE1  TRP  57           HE1      TRP  57  -3.212  -8.661  -2.671
  473    HE3  TRP  57           HE3      TRP  57  -7.738  -5.818  -2.416
  474    HZ2  TRP  57           HZ2      TRP  57  -2.795  -6.015  -1.760
  475    HZ3  TRP  57           HZ3      TRP  57  -6.481  -3.859  -1.601
  476    HH2  TRP  57           HH2      TRP  57  -4.059  -3.960  -1.280
  477    H    VAL  58           H        VAL  58  -5.859  -8.827  -6.186
  478    HA   VAL  58           HA       VAL  58  -5.614  -5.934  -6.353
  479    HB   VAL  58           HB       VAL  58  -3.757  -8.048  -7.457
  480   1HG1  VAL  58          1HG1      VAL  58  -3.846  -5.235  -7.783
  481   2HG1  VAL  58          2HG1      VAL  58  -2.466  -5.612  -6.752
  482   3HG1  VAL  58          3HG1      VAL  58  -2.612  -6.364  -8.341
  483   1HG2  VAL  58          1HG2      VAL  58  -4.216  -7.986  -4.906
  484   2HG2  VAL  58          2HG2      VAL  58  -2.549  -8.028  -5.479
  485   3HG2  VAL  58          3HG2      VAL  58  -3.258  -6.505  -4.941
  486    H    LYS  59           H        LYS  59  -5.707  -8.689  -8.618
  487    HA   LYS  59           HA       LYS  59  -5.692  -7.240 -10.990
  488   1HB   LYS  59          1HB       LYS  59  -7.142  -9.832 -10.416
  489   2HB   LYS  59          2HB       LYS  59  -6.760  -9.209 -12.015
  490   1HG   LYS  59          1HG       LYS  59  -4.332  -9.288 -11.319
  491   2HG   LYS  59          2HG       LYS  59  -4.866 -10.217  -9.916
  492   1HD   LYS  59          1HD       LYS  59  -5.996 -11.783 -11.551
  493   2HD   LYS  59          2HD       LYS  59  -5.109 -10.944 -12.824
  494   1HE   LYS  59          1HE       LYS  59  -3.001 -11.476 -11.585
  495   2HE   LYS  59          2HE       LYS  59  -3.963 -12.482 -10.503
  496   1HZ   LYS  59          1HZ       LYS  59  -4.199 -12.951 -13.381
  497   2HZ   LYS  59          2HZ       LYS  59  -2.786 -13.474 -12.613
  498   3HZ   LYS  59          3HZ       LYS  59  -4.290 -14.050 -12.096
  499    H    ASP  60           H        ASP  60  -8.409  -8.194  -8.930
  500    HA   ASP  60           HA       ASP  60 -10.382  -6.985 -10.627
  501   1HB   ASP  60          1HB       ASP  60 -10.360  -8.475  -8.094
  502   2HB   ASP  60          2HB       ASP  60 -11.586  -7.213  -8.165
  503    H    ALA  61           H        ALA  61  -8.729  -6.119  -7.620
  504    HA   ALA  61           HA       ALA  61 -10.094  -3.808  -6.997
  505   1HB   ALA  61          1HB       ALA  61  -7.280  -4.694  -6.535
  506   2HB   ALA  61          2HB       ALA  61  -7.776  -3.066  -6.074
  507   3HB   ALA  61          3HB       ALA  61  -8.587  -4.467  -5.374
  508    H    MET  62           H        MET  62  -7.561  -4.339  -9.370
  509    HA   MET  62           HA       MET  62  -7.205  -1.570  -9.996
  510   1HB   MET  62          1HB       MET  62  -6.422  -4.075 -11.498
  511   2HB   MET  62          2HB       MET  62  -5.952  -2.448 -11.974
  512   1HG   MET  62          1HG       MET  62  -4.962  -2.287  -9.598
  513   2HG   MET  62          2HG       MET  62  -5.077  -4.046  -9.607
  514   1HE   MET  62          1HE       MET  62  -4.450  -5.025 -12.381
  515   2HE   MET  62          2HE       MET  62  -2.691  -5.108 -12.450
  516   3HE   MET  62          3HE       MET  62  -3.542  -5.635 -10.998
  517    H    GLN  63           H        GLN  63  -8.604  -4.265 -11.884
  518    HA   GLN  63           HA       GLN  63  -9.661  -2.864 -13.975
  519   1HB   GLN  63          1HB       GLN  63  -9.803  -5.410 -13.346
  520   2HB   GLN  63          2HB       GLN  63 -11.359  -4.958 -12.665
  521   1HG   GLN  63          1HG       GLN  63 -12.121  -4.169 -14.805
  522   2HG   GLN  63          2HG       GLN  63 -10.530  -4.454 -15.513
  523   1HE2  GLN  63          1HE2      GLN  63 -13.563  -5.774 -14.790
  524   2HE2  GLN  63          2HE2      GLN  63 -13.245  -7.398 -15.283
  525    H    HIS  64           H        HIS  64 -10.677  -2.884 -10.671
  526    HA   HIS  64           HA       HIS  64 -13.234  -1.684 -11.103
  527   1HB   HIS  64          1HB       HIS  64 -12.702  -3.063  -9.106
  528   2HB   HIS  64          2HB       HIS  64 -11.594  -1.806  -8.567
  529    HD1  HIS  64           HD1      HIS  64 -15.270  -1.950  -9.574
  530    HD2  HIS  64           HD2      HIS  64 -12.768  -0.185  -6.765
  531    HE1  HIS  64           HE1      HIS  64 -16.779  -0.603  -8.081
  532    HE2  HIS  64           HE2      HIS  64 -15.236   0.507  -6.427
  533    H    LEU  65           H        LEU  65 -10.238  -0.455  -9.612
  534    HA   LEU  65           HA       LEU  65 -10.978   2.202  -9.389
  535   1HB   LEU  65          1HB       LEU  65  -8.329   0.848  -9.737
  536   2HB   LEU  65          2HB       LEU  65  -8.422   2.597  -9.691
  537    HG   LEU  65           HG       LEU  65  -9.255   0.695  -7.502
  538   1HD1  LEU  65          1HD1      LEU  65  -6.759   1.693  -8.151
  539   2HD1  LEU  65          2HD1      LEU  65  -7.330   2.766  -6.873
  540   3HD1  LEU  65          3HD1      LEU  65  -7.251   1.026  -6.594
  541   1HD2  LEU  65          1HD2      LEU  65  -9.837   3.554  -7.971
  542   2HD2  LEU  65          2HD2      LEU  65 -10.749   2.339  -7.072
  543   3HD2  LEU  65          3HD2      LEU  65  -9.337   3.104  -6.341
  544    H    ASP  66           H        ASP  66 -10.088   0.398 -12.200
  545    HA   ASP  66           HA       ASP  66  -9.297   2.514 -13.883
  546   1HB   ASP  66          1HB       ASP  66 -10.629  -0.094 -14.644
  547   2HB   ASP  66          2HB       ASP  66  -9.730   0.964 -15.728
  548    H    ARG  67           H        ARG  67 -12.415   1.358 -12.865
  549    HA   ARG  67           HA       ARG  67 -13.800   2.980 -14.857
  550   1HB   ARG  67          1HB       ARG  67 -14.983   1.257 -12.676
  551   2HB   ARG  67          2HB       ARG  67 -15.831   1.940 -14.056
  552   1HG   ARG  67          1HG       ARG  67 -13.625  -0.102 -14.224
  553   2HG   ARG  67          2HG       ARG  67 -15.351  -0.456 -14.315
  554   1HD   ARG  67          1HD       ARG  67 -13.680   1.137 -16.245
  555   2HD   ARG  67          2HD       ARG  67 -14.548  -0.369 -16.546
  556    HE   ARG  67           HE       ARG  67 -15.657   2.307 -16.486
  557   1HH1  ARG  67          1HH1      ARG  67 -16.282  -1.118 -16.416
  558   2HH1  ARG  67          2HH1      ARG  67 -17.925  -0.961 -16.939
  559   1HH2  ARG  67          1HH2      ARG  67 -17.820   2.528 -17.171
  560   2HH2  ARG  67          2HH2      ARG  67 -18.801   1.113 -17.368
  561    H    GLN  68           H        GLN  68 -12.181   4.066 -12.560
  562    HA   GLN  68           HA       GLN  68 -14.280   5.825 -11.486
  563   1HB   GLN  68          1HB       GLN  68 -12.069   4.423 -10.024
  564   2HB   GLN  68          2HB       GLN  68 -12.672   5.966  -9.431
  565   1HG   GLN  68          1HG       GLN  68 -14.626   5.090  -8.729
  566   2HG   GLN  68          2HG       GLN  68 -14.709   3.931 -10.056
  567   1HE2  GLN  68          2HE2      GLN  68 -13.141   2.117  -9.936
  568   2HE2  GLN  68          1HE2      GLN  68 -12.818   1.438  -8.381
  569    H    ALA  69           H        ALA  69 -10.720   5.569 -11.556
  570    HA   ALA  69           HA       ALA  69 -10.283   8.354 -11.602
  571   1HB   ALA  69          1HB       ALA  69  -8.700   6.034 -11.465
  572   2HB   ALA  69          2HB       ALA  69  -8.115   6.960 -12.848
  573   3HB   ALA  69          3HB       ALA  69  -8.188   7.708 -11.253
  574    H    ALA  70           H        ALA  70 -11.401   6.259 -13.995
  575    HA   ALA  70           HA       ALA  70 -10.256   7.473 -16.297
  576   1HB   ALA  70          1HB       ALA  70 -12.323   5.460 -15.740
  577   2HB   ALA  70          2HB       ALA  70 -12.543   6.367 -17.237
  578   3HB   ALA  70          3HB       ALA  70 -11.046   5.475 -16.958
  579    H    ALA  71           H        ALA  71 -12.391   8.689 -14.078
  580    HA   ALA  71           HA       ALA  71 -13.029  10.937 -15.697
  581   1HB   ALA  71          1HB       ALA  71 -14.720   9.319 -16.501
  582   2HB   ALA  71          2HB       ALA  71 -15.348   9.206 -14.857
  583   3HB   ALA  71          3HB       ALA  71 -15.430  10.737 -15.729
  584    H    LEU  72           H        LEU  72 -11.833  10.180 -13.095
  585    HA   LEU  72           HA       LEU  72 -11.641  11.113 -11.029
  586   1HB   LEU  72          1HB       LEU  72 -12.980  13.067 -12.573
  587   2HB   LEU  72          2HB       LEU  72 -13.802  12.996 -11.026
  588    HG   LEU  72           HG       LEU  72 -12.174  14.653 -10.743
  589   1HD1  LEU  72          1HD1      LEU  72 -12.142  12.506  -9.152
  590   2HD1  LEU  72          2HD1      LEU  72 -10.472  12.463  -9.719
  591   3HD1  LEU  72          3HD1      LEU  72 -11.091  13.901  -8.905
  592   1HD2  LEU  72          1HD2      LEU  72 -10.691  13.057 -12.655
  593   2HD2  LEU  72          2HD2      LEU  72 -10.572  14.777 -12.285
  594   3HD2  LEU  72          3HD2      LEU  72  -9.679  13.604 -11.318
  595    H    THR  73           H        THR  73 -15.112  11.712 -11.432
  596    HA   THR  73           HA       THR  73 -15.847  10.691  -8.952
  597    HB   THR  73           HB       THR  73 -17.511  11.990  -9.857
  598    HG1  THR  73           HG1      THR  73 -19.084  10.648  -9.621
  599   1HG2  THR  73          1HG2      THR  73 -16.718  10.800 -12.440
  600   2HG2  THR  73          2HG2      THR  73 -18.399  11.304 -12.266
  601   3HG2  THR  73          3HG2      THR  73 -17.097  12.471 -12.022
  602    H    ARG  74           H        ARG  74 -17.353   9.112 -11.683
  603    HA   ARG  74           HA       ARG  74 -16.049   6.676 -11.708
  604   1HB   ARG  74          1HB       ARG  74 -17.928   5.421 -10.337
  605   2HB   ARG  74          2HB       ARG  74 -16.492   6.057  -9.545
  606   1HG   ARG  74          1HG       ARG  74 -17.637   7.726  -8.496
  607   2HG   ARG  74          2HG       ARG  74 -18.870   7.822  -9.754
  608   1HD   ARG  74          1HD       ARG  74 -20.026   5.971  -8.932
  609   2HD   ARG  74          2HD       ARG  74 -18.637   5.398  -8.008
  610    HE   ARG  74           HE       ARG  74 -20.618   7.268  -7.150
  611   1HH1  ARG  74          1HH1      ARG  74 -17.278   6.344  -6.805
  612   2HH1  ARG  74          2HH1      ARG  74 -17.121   7.017  -5.218
  613   1HH2  ARG  74          1HH2      ARG  74 -20.422   8.158  -5.060
  614   2HH2  ARG  74          2HH2      ARG  74 -18.910   8.049  -4.224
  615    H    ASN  75           H        ASN  75 -16.730   5.712 -13.505
  616    HA   ASN  75           HA       ASN  75 -19.501   6.197 -14.384
  617   1HB   ASN  75          1HB       ASN  75 -18.789   6.309 -16.631
  618   2HB   ASN  75          2HB       ASN  75 -17.605   7.260 -15.740
  619   1HD2  ASN  75          2HD2      ASN  75 -17.108   6.214 -18.256
  620   2HD2  ASN  75          1HD2      ASN  75 -15.878   5.010 -18.130
  621    H    GLY  76           H        GLY  76 -18.125   3.958 -12.812
  622   1HA   GLY  76          1HA       GLY  76 -18.056   1.642 -14.421
  623   2HA   GLY  76          2HA       GLY  76 -18.249   1.670 -12.675
  Start of MODEL   12
    1   2H    MET   0          2H        MET   0  21.581   6.937  -0.180
    2   3H    MET   0          3H        MET   0  21.031   6.012   1.155
    3   1H    MET   0          1H        MET   0  22.705   6.056   0.772
    4    HA   MET   0           HA       MET   0  20.656   4.392  -0.216
    5   1HB   MET   0          1HB       MET   0  21.013   6.384  -1.935
    6   2HB   MET   0          2HB       MET   0  22.432   5.442  -2.375
    7   1HG   MET   0          1HG       MET   0  19.561   4.551  -2.461
    8   2HG   MET   0          2HG       MET   0  20.624   4.868  -3.831
    9   1HE   MET   0          1HE       MET   0  22.827   3.848  -4.063
   10   2HE   MET   0          2HE       MET   0  23.265   2.194  -3.637
   11   3HE   MET   0          3HE       MET   0  22.115   2.494  -4.941
   12    H    GLN   1           H        GLN   1  22.516   3.886   1.621
   13    HA   GLN   1           HA       GLN   1  24.146   1.884   0.346
   14   1HB   GLN   1          1HB       GLN   1  26.225   2.773   1.601
   15   2HB   GLN   1          2HB       GLN   1  25.776   3.525   0.077
   16   1HG   GLN   1          1HG       GLN   1  24.937   5.434   1.134
   17   2HG   GLN   1          2HG       GLN   1  24.868   4.637   2.707
   18   1HE2  GLN   1          2HE2      GLN   1  27.278   3.562   3.033
   19   2HE2  GLN   1          1HE2      GLN   1  28.514   4.770   3.016
   20    H    HIS   2           H        HIS   2  21.989   2.239   2.404
   21    HA   HIS   2           HA       HIS   2  23.332   1.109   4.757
   22   1HB   HIS   2          1HB       HIS   2  20.672   2.444   4.342
   23   2HB   HIS   2          2HB       HIS   2  20.954   1.430   5.754
   24    HD1  HIS   2           HD1      HIS   2  23.945   2.389   6.201
   25    HD2  HIS   2           HD2      HIS   2  20.627   4.841   5.713
   26    HE1  HIS   2           HE1      HIS   2  24.559   4.574   7.283
   27    HE2  HIS   2           HE2      HIS   2  22.568   6.071   6.898
   28    H    HIS   3           H        HIS   3  20.130   0.601   3.281
   29    HA   HIS   3           HA       HIS   3  20.471  -2.008   2.424
   30   1HB   HIS   3          1HB       HIS   3  19.140  -3.106   4.396
   31   2HB   HIS   3          2HB       HIS   3  20.886  -2.906   4.518
   32    HD1  HIS   3           HD1      HIS   3  21.702  -1.744   6.553
   33    HD2  HIS   3           HD2      HIS   3  17.692  -0.949   5.807
   34    HE1  HIS   3           HE1      HIS   3  20.905  -0.397   8.522
   35    HE2  HIS   3           HE2      HIS   3  18.488   0.111   8.026
   36    H    GLY   4           H        GLY   4  18.278   0.221   4.062
   37   1HA   GLY   4          1HA       GLY   4  16.005  -0.879   2.580
   38   2HA   GLY   4          2HA       GLY   4  15.917   0.285   3.895
   39    H    VAL   5           H        VAL   5  18.340   1.399   2.042
   40    HA   VAL   5           HA       VAL   5  16.524   3.134   0.506
   41    HB   VAL   5           HB       VAL   5  18.780   4.534   0.398
   42   1HG1  VAL   5          1HG1      VAL   5  16.751   4.420   2.607
   43   2HG1  VAL   5          2HG1      VAL   5  18.009   5.656   2.560
   44   3HG1  VAL   5          3HG1      VAL   5  16.839   5.538   1.245
   45   1HG2  VAL   5          1HG2      VAL   5  20.059   2.805   1.623
   46   2HG2  VAL   5          2HG2      VAL   5  20.075   4.375   2.425
   47   3HG2  VAL   5          3HG2      VAL   5  19.034   3.087   3.030
   48    H    THR   6           H        THR   6  16.364   2.402  -1.518
   49    HA   THR   6           HA       THR   6  18.853   1.680  -2.920
   50    HB   THR   6           HB       THR   6  17.923  -0.314  -3.314
   51    HG1  THR   6           HG1      THR   6  16.133  -0.320  -4.828
   52   1HG2  THR   6          1HG2      THR   6  15.360   0.843  -2.263
   53   2HG2  THR   6          2HG2      THR   6  15.510  -0.815  -2.846
   54   3HG2  THR   6          3HG2      THR   6  16.462  -0.277  -1.462
   55    H    LYS   7           H        LYS   7  16.796   4.109  -2.631
   56    HA   LYS   7           HA       LYS   7  16.611   5.987  -3.957
   57   1HB   LYS   7          1HB       LYS   7  18.533   4.796  -5.322
   58   2HB   LYS   7          2HB       LYS   7  17.229   4.469  -6.455
   59   1HG   LYS   7          1HG       LYS   7  17.782   6.446  -7.330
   60   2HG   LYS   7          2HG       LYS   7  16.865   7.118  -5.980
   61   1HD   LYS   7          1HD       LYS   7  18.741   7.757  -4.848
   62   2HD   LYS   7          2HD       LYS   7  19.721   6.447  -5.513
   63   1HE   LYS   7          1HE       LYS   7  18.913   9.021  -6.849
   64   2HE   LYS   7          2HE       LYS   7  20.540   8.474  -6.444
   65   1HZ   LYS   7          1HZ       LYS   7  19.840   6.502  -8.015
   66   2HZ   LYS   7          2HZ       LYS   7  18.808   7.675  -8.660
   67   3HZ   LYS   7          3HZ       LYS   7  20.478   7.940  -8.636
   68    H    CYS   8           H        CYS   8  14.507   4.420  -3.205
   69    HA   CYS   8           HA       CYS   8  12.616   4.979  -5.330
   70   1HB   CYS   8          1HB       CYS   8  13.596   2.388  -5.088
   71   2HB   CYS   8          2HB       CYS   8  12.059   2.340  -4.232
   72    H    ASN   9           H        ASN   9  11.417   6.367  -4.180
   73    HA   ASN   9           HA       ASN   9  10.939   6.672  -1.576
   74   1HB   ASN   9          1HB       ASN   9   8.387   7.049  -2.462
   75   2HB   ASN   9          2HB       ASN   9   9.687   8.223  -2.641
   76   1HD2  ASN   9          2HD2      ASN   9   7.520   6.126  -4.229
   77   2HD2  ASN   9          1HD2      ASN   9   8.032   6.446  -5.848
   78    H    ILE  10           H        ILE  10   9.361   4.230  -3.587
   79    HA   ILE  10           HA       ILE  10   8.582   2.818  -1.130
   80    HB   ILE  10           HB       ILE  10   6.635   4.049  -2.204
   81   1HG1  ILE  10          1HG1      ILE  10   6.058   1.123  -2.213
   82   2HG1  ILE  10          2HG1      ILE  10   6.706   1.833  -0.738
   83   1HG2  ILE  10          1HG2      ILE  10   7.495   3.242  -4.538
   84   2HG2  ILE  10          2HG2      ILE  10   6.528   1.814  -4.173
   85   3HG2  ILE  10          3HG2      ILE  10   5.766   3.402  -4.230
   86   1HD1  ILE  10          1HD1      ILE  10   4.360   3.083  -2.081
   87   2HD1  ILE  10          2HD1      ILE  10   4.151   1.656  -1.065
   88   3HD1  ILE  10          3HD1      ILE  10   4.845   3.128  -0.386
   89    H    THR  11           H        THR  11   9.346   0.816  -1.113
   90    HA   THR  11           HA       THR  11   9.971  -0.475  -3.687
   91    HB   THR  11           HB       THR  11  11.889   0.078  -2.106
   92    HG1  THR  11           HG1      THR  11  11.664  -1.780  -3.740
   93   1HG2  THR  11          1HG2      THR  11  10.293  -1.326  -0.254
   94   2HG2  THR  11          2HG2      THR  11  11.728  -2.301  -0.569
   95   3HG2  THR  11          3HG2      THR  11  11.899  -0.634  -0.020
   96    H    CYS  12           H        CYS  12   9.556  -2.713  -3.907
   97    HA   CYS  12           HA       CYS  12   7.419  -3.669  -2.132
   98   1HB   CYS  12          1HB       CYS  12   8.110  -4.400  -4.982
   99   2HB   CYS  12          2HB       CYS  12   6.870  -5.215  -4.033
  100    H    SER  13           H        SER  13   9.198  -4.258  -0.623
  101    HA   SER  13           HA       SER  13  10.996  -6.365  -1.303
  102   1HB   SER  13          1HB       SER  13  10.600  -6.280   1.515
  103   2HB   SER  13          2HB       SER  13  11.961  -5.651   0.587
  104    HG   SER  13           HG       SER  13  10.540  -4.174   1.969
  105    H    LYS  14           H        LYS  14   7.826  -6.201   0.211
  106    HA   LYS  14           HA       LYS  14   7.569  -9.093  -0.133
  107   1HB   LYS  14          1HB       LYS  14   6.912  -7.645   2.438
  108   2HB   LYS  14          2HB       LYS  14   6.543  -9.331   2.100
  109   1HG   LYS  14          1HG       LYS  14   9.364  -8.525   1.782
  110   2HG   LYS  14          2HG       LYS  14   8.724  -8.529   3.427
  111   1HD   LYS  14          1HD       LYS  14   8.082 -10.835   3.234
  112   2HD   LYS  14          2HD       LYS  14   8.498 -10.852   1.519
  113   1HE   LYS  14          1HE       LYS  14  10.749 -10.926   1.924
  114   2HE   LYS  14          2HE       LYS  14  10.607 -10.086   3.468
  115   1HZ   LYS  14          1HZ       LYS  14   9.461 -12.201   4.257
  116   2HZ   LYS  14          2HZ       LYS  14  10.094 -12.934   2.873
  117   3HZ   LYS  14          3HZ       LYS  14  11.135 -12.268   4.029
  118    H    MET  15           H        MET  15   5.153  -9.660   0.619
  119    HA   MET  15           HA       MET  15   3.442  -7.770  -0.847
  120   1HB   MET  15          1HB       MET  15   3.146 -10.740  -0.375
  121   2HB   MET  15          2HB       MET  15   1.929  -9.741  -1.157
  122   1HG   MET  15          1HG       MET  15   4.633 -10.539  -2.142
  123   2HG   MET  15          2HG       MET  15   3.063 -10.705  -2.927
  124   1HE   MET  15          1HE       MET  15   5.995  -9.574  -3.822
  125   2HE   MET  15          2HE       MET  15   6.014  -7.849  -4.190
  126   3HE   MET  15          3HE       MET  15   6.237  -8.398  -2.529
  127    H    THR  16           H        THR  16   1.153  -7.678  -0.137
  128    HA   THR  16           HA       THR  16   0.994  -7.759   2.804
  129    HB   THR  16           HB       THR  16   0.873  -5.505   1.684
  130    HG1  THR  16           HG1      THR  16  -0.239  -4.996   3.371
  131   1HG2  THR  16          1HG2      THR  16  -1.003  -6.750   0.028
  132   2HG2  THR  16          2HG2      THR  16  -1.911  -5.627   1.040
  133   3HG2  THR  16          3HG2      THR  16  -0.559  -5.043   0.069
  134    H    SER  17           H        SER  17  -1.712  -7.385   3.104
  135    HA   SER  17           HA       SER  17  -2.755  -9.956   2.139
  136   1HB   SER  17          1HB       SER  17  -3.509  -8.269   4.533
  137   2HB   SER  17          2HB       SER  17  -4.393  -9.712   4.036
  138    HG   SER  17           HG       SER  17  -2.086 -10.643   4.132
  139    H    LYS  18           H        LYS  18  -5.403  -9.709   2.411
  140    HA   LYS  18           HA       LYS  18  -6.134  -8.150   0.139
  141   1HB   LYS  18          1HB       LYS  18  -7.157 -10.371   1.017
  142   2HB   LYS  18          2HB       LYS  18  -8.118  -9.331   2.059
  143   1HG   LYS  18          1HG       LYS  18  -8.764  -8.102  -0.098
  144   2HG   LYS  18          2HG       LYS  18  -8.135  -9.527  -0.927
  145   1HD   LYS  18          1HD       LYS  18  -9.809 -10.887  -0.158
  146   2HD   LYS  18          2HD       LYS  18 -10.057  -9.933   1.308
  147   1HE   LYS  18          1HE       LYS  18 -10.756  -8.153  -0.628
  148   2HE   LYS  18          2HE       LYS  18 -11.284  -9.675  -1.345
  149   1HZ   LYS  18          1HZ       LYS  18 -12.123  -9.799   1.258
  150   2HZ   LYS  18          2HZ       LYS  18 -12.431  -8.199   0.807
  151   3HZ   LYS  18          3HZ       LYS  18 -13.088  -9.473  -0.092
  152    H    ILE  19           H        ILE  19  -7.387  -6.309   0.009
  153    HA   ILE  19           HA       ILE  19  -8.111  -4.962   2.510
  154    HB   ILE  19           HB       ILE  19  -6.576  -3.613   0.287
  155   1HG1  ILE  19          1HG1      ILE  19  -5.699  -4.169   3.127
  156   2HG1  ILE  19          2HG1      ILE  19  -5.231  -5.155   1.744
  157   1HG2  ILE  19          1HG2      ILE  19  -8.377  -2.349   1.674
  158   2HG2  ILE  19          2HG2      ILE  19  -7.160  -2.394   2.950
  159   3HG2  ILE  19          3HG2      ILE  19  -6.796  -1.610   1.412
  160   1HD1  ILE  19          1HD1      ILE  19  -4.252  -3.068   0.737
  161   2HD1  ILE  19          2HD1      ILE  19  -4.512  -2.296   2.302
  162   3HD1  ILE  19          3HD1      ILE  19  -3.439  -3.689   2.174
  163    HA   PRO  20           HA       PRO  20 -11.929  -4.176   0.449
  164   1HB   PRO  20          1HB       PRO  20 -12.497  -1.753   1.679
  165   2HB   PRO  20          2HB       PRO  20 -12.867  -3.345   2.347
  166   1HG   PRO  20          1HG       PRO  20 -10.566  -1.530   2.928
  167   2HG   PRO  20          2HG       PRO  20 -11.495  -2.557   4.036
  168   1HD   PRO  20          1HD       PRO  20  -9.059  -3.270   3.183
  169   2HD   PRO  20          2HD       PRO  20 -10.344  -4.473   3.421
  170    H    VAL  21           H        VAL  21 -11.999  -3.551  -1.605
  171    HA   VAL  21           HA       VAL  21 -10.328  -1.662  -2.802
  172    HB   VAL  21           HB       VAL  21 -11.660  -3.488  -3.955
  173   1HG1  VAL  21          1HG1      VAL  21 -13.821  -2.110  -2.898
  174   2HG1  VAL  21          2HG1      VAL  21 -13.857  -1.720  -4.616
  175   3HG1  VAL  21          3HG1      VAL  21 -13.881  -3.403  -4.095
  176   1HG2  VAL  21          1HG2      VAL  21 -11.578  -0.687  -5.058
  177   2HG2  VAL  21          2HG2      VAL  21 -10.395  -1.977  -5.282
  178   3HG2  VAL  21          3HG2      VAL  21 -11.989  -2.102  -6.028
  179    H    ALA  22           H        ALA  22 -13.199  -1.239  -0.974
  180    HA   ALA  22           HA       ALA  22 -14.140   1.184  -2.065
  181   1HB   ALA  22          1HB       ALA  22 -15.299  -0.407  -0.420
  182   2HB   ALA  22          2HB       ALA  22 -14.417   0.466   0.834
  183   3HB   ALA  22          3HB       ALA  22 -15.548   1.327  -0.210
  184    H    LEU  23           H        LEU  23 -11.283   0.522  -0.441
  185    HA   LEU  23           HA       LEU  23 -11.035   3.271   0.566
  186   1HB   LEU  23          1HB       LEU  23  -9.036   1.104   1.090
  187   2HB   LEU  23          2HB       LEU  23  -9.388   2.534   2.043
  188    HG   LEU  23           HG       LEU  23 -10.946  -0.031   1.886
  189   1HD1  LEU  23          1HD1      LEU  23  -9.033   0.289   3.500
  190   2HD1  LEU  23          2HD1      LEU  23 -10.013   1.528   4.282
  191   3HD1  LEU  23          3HD1      LEU  23 -10.584  -0.138   4.220
  192   1HD2  LEU  23          1HD2      LEU  23 -11.890   2.696   2.610
  193   2HD2  LEU  23          2HD2      LEU  23 -12.743   1.384   1.797
  194   3HD2  LEU  23          3HD2      LEU  23 -12.475   1.317   3.540
  195    H    LEU  24           H        LEU  24  -9.971   1.125  -1.887
  196    HA   LEU  24           HA       LEU  24  -7.475   2.322  -2.492
  197   1HB   LEU  24          1HB       LEU  24  -9.380   0.662  -4.134
  198   2HB   LEU  24          2HB       LEU  24  -7.838   1.221  -4.748
  199    HG   LEU  24           HG       LEU  24  -8.187  -0.557  -2.331
  200   1HD1  LEU  24          1HD1      LEU  24  -7.462  -1.179  -5.184
  201   2HD1  LEU  24          2HD1      LEU  24  -7.165  -2.278  -3.840
  202   3HD1  LEU  24          3HD1      LEU  24  -8.815  -1.811  -4.248
  203   1HD2  LEU  24          1HD2      LEU  24  -5.828   0.673  -3.685
  204   2HD2  LEU  24          2HD2      LEU  24  -6.169   0.492  -1.965
  205   3HD2  LEU  24          3HD2      LEU  24  -5.668  -0.906  -2.917
  206    H    ILE  25           H        ILE  25  -6.956   4.063  -3.671
  207    HA   ILE  25           HA       ILE  25  -9.150   5.530  -4.982
  208    HB   ILE  25           HB       ILE  25  -7.877   7.597  -4.567
  209   1HG1  ILE  25          1HG1      ILE  25  -6.117   6.043  -2.685
  210   2HG1  ILE  25          2HG1      ILE  25  -5.661   6.258  -4.372
  211   1HG2  ILE  25          1HG2      ILE  25  -9.621   6.714  -2.991
  212   2HG2  ILE  25          2HG2      ILE  25  -8.305   6.094  -1.995
  213   3HG2  ILE  25          3HG2      ILE  25  -8.457   7.829  -2.273
  214   1HD1  ILE  25          1HD1      ILE  25  -6.395   8.790  -3.338
  215   2HD1  ILE  25          2HD1      ILE  25  -5.284   8.026  -2.202
  216   3HD1  ILE  25          3HD1      ILE  25  -4.815   8.235  -3.889
  217    H    HIS  26           H        HIS  26  -5.797   4.500  -5.184
  218    HA   HIS  26           HA       HIS  26  -5.873   4.469  -8.033
  219   1HB   HIS  26          1HB       HIS  26  -4.840   6.849  -6.696
  220   2HB   HIS  26          2HB       HIS  26  -3.659   6.112  -7.774
  221    HD1  HIS  26           HD1      HIS  26  -4.714   5.606 -10.292
  222    HD2  HIS  26           HD2      HIS  26  -6.521   8.537  -7.968
  223    HE1  HIS  26           HE1      HIS  26  -6.029   7.025 -11.901
  224    HE2  HIS  26           HE2      HIS  26  -7.150   8.765 -10.466
  225    H    TYR  27           H        TYR  27  -4.104   3.383  -8.943
  226    HA   TYR  27           HA       TYR  27  -2.287   2.152  -6.977
  227   1HB   TYR  27          1HB       TYR  27  -2.307   0.126  -8.256
  228   2HB   TYR  27          2HB       TYR  27  -3.982   0.606  -8.000
  229    HD1  TYR  27           HD1      TYR  27  -1.230   0.773 -10.509
  230    HD2  TYR  27           HD2      TYR  27  -5.436   0.811  -9.819
  231    HE1  TYR  27           HE1      TYR  27  -1.623   0.666 -12.938
  232    HE2  TYR  27           HE2      TYR  27  -5.841   0.703 -12.247
  233    HH   TYR  27           HH       TYR  27  -3.982   1.506 -14.462
  234    H    GLN  28           H        GLN  28  -0.128   1.949  -7.487
  235    HA   GLN  28           HA       GLN  28   0.745   3.444  -9.868
  236   1HB   GLN  28          1HB       GLN  28   2.705   2.990  -7.716
  237   2HB   GLN  28          2HB       GLN  28   2.376   4.440  -8.655
  238   1HG   GLN  28          1HG       GLN  28   0.482   3.503  -6.538
  239   2HG   GLN  28          2HG       GLN  28   1.902   4.471  -6.137
  240   1HE2  GLN  28          2HE2      GLN  28  -0.583   5.404  -5.562
  241   2HE2  GLN  28          1HE2      GLN  28  -0.973   6.733  -6.593
  242    H    GLN  29           H        GLN  29   2.989   2.776 -10.625
  243    HA   GLN  29           HA       GLN  29   3.125  -0.167 -10.673
  244   1HB   GLN  29          1HB       GLN  29   2.590   1.045 -12.832
  245   2HB   GLN  29          2HB       GLN  29   4.216   1.714 -12.766
  246   1HG   GLN  29          1HG       GLN  29   5.207  -0.275 -13.270
  247   2HG   GLN  29          2HG       GLN  29   3.905  -1.230 -12.562
  248   1HE2  GLN  29          2HE2      GLN  29   2.079  -1.679 -13.779
  249   2HE2  GLN  29          1HE2      GLN  29   2.034  -1.462 -15.492
  250    H    ASN  30           H        ASN  30   4.651  -0.798  -9.277
  251    HA   ASN  30           HA       ASN  30   6.814   0.700  -8.378
  252   1HB   ASN  30          1HB       ASN  30   5.806  -1.550  -7.507
  253   2HB   ASN  30          2HB       ASN  30   7.000  -2.287  -8.572
  254   1HD2  ASN  30          2HD2      ASN  30   8.496  -3.058  -7.244
  255   2HD2  ASN  30          1HD2      ASN  30   9.327  -2.147  -6.035
  256    H    GLN  31           H        GLN  31   9.067   0.551  -8.805
  257    HA   GLN  31           HA       GLN  31   9.648   0.307 -11.628
  258   1HB   GLN  31          1HB       GLN  31  10.925   1.527  -9.273
  259   2HB   GLN  31          2HB       GLN  31  12.048   0.858 -10.450
  260   1HG   GLN  31          1HG       GLN  31   9.851   2.589 -11.442
  261   2HG   GLN  31          2HG       GLN  31  11.197   3.347 -10.591
  262   1HE2  GLN  31          2HE2      GLN  31  11.547   4.396 -12.668
  263   2HE2  GLN  31          1HE2      GLN  31  12.465   3.574 -13.879
  264    H    ALA  32           H        ALA  32  11.004  -1.160 -12.592
  265    HA   ALA  32           HA       ALA  32  11.200  -3.721 -11.432
  266   1HB   ALA  32          1HB       ALA  32  11.103  -3.201 -13.888
  267   2HB   ALA  32          2HB       ALA  32  12.800  -2.733 -13.781
  268   3HB   ALA  32          3HB       ALA  32  12.318  -4.390 -13.421
  269    H    SER  33           H        SER  33  13.240  -0.968 -11.322
  270    HA   SER  33           HA       SER  33  15.615  -2.430 -10.561
  271   1HB   SER  33          1HB       SER  33  16.309   0.071  -9.973
  272   2HB   SER  33          2HB       SER  33  16.273  -0.507 -11.639
  273    HG   SER  33           HG       SER  33  14.786   0.908 -12.024
  274    H    CYS  34           H        CYS  34  12.813  -1.455  -9.012
  275    HA   CYS  34           HA       CYS  34  14.148  -1.364  -6.391
  276   1HB   CYS  34          1HB       CYS  34  11.308  -0.503  -6.857
  277   2HB   CYS  34          2HB       CYS  34  12.407  -0.029  -5.566
  278    H    GLY  35           H        GLY  35  13.665  -2.856  -4.866
  279   1HA   GLY  35          1HA       GLY  35  13.050  -4.999  -4.207
  280   2HA   GLY  35          2HA       GLY  35  11.455  -4.270  -4.322
  281    H    LYS  36           H        LYS  36  10.272  -5.946  -5.077
  282    HA   LYS  36           HA       LYS  36  11.217  -7.325  -7.492
  283   1HB   LYS  36          1HB       LYS  36   9.071  -8.067  -5.495
  284   2HB   LYS  36          2HB       LYS  36   9.428  -8.985  -6.953
  285   1HG   LYS  36          1HG       LYS  36  10.799 -10.167  -5.660
  286   2HG   LYS  36          2HG       LYS  36  11.888  -8.783  -5.773
  287   1HD   LYS  36          1HD       LYS  36  10.769  -7.844  -3.738
  288   2HD   LYS  36          2HD       LYS  36   9.896  -9.370  -3.590
  289   1HE   LYS  36          1HE       LYS  36  12.420 -10.283  -3.820
  290   2HE   LYS  36          2HE       LYS  36  12.720  -8.736  -3.031
  291   1HZ   LYS  36          1HZ       LYS  36  10.713  -9.651  -1.556
  292   2HZ   LYS  36          2HZ       LYS  36  11.419 -11.122  -2.004
  293   3HZ   LYS  36          3HZ       LYS  36  12.337  -9.955  -1.193
  294    H    ARG  37           H        ARG  37   9.562  -7.862  -9.132
  295    HA   ARG  37           HA       ARG  37   8.210  -5.526  -9.990
  296   1HB   ARG  37          1HB       ARG  37   7.469  -6.846 -11.867
  297   2HB   ARG  37          2HB       ARG  37   9.142  -7.256 -11.515
  298   1HG   ARG  37          1HG       ARG  37   7.772  -9.091 -10.022
  299   2HG   ARG  37          2HG       ARG  37   6.748  -8.919 -11.450
  300   1HD   ARG  37          1HD       ARG  37   9.283  -9.037 -12.512
  301   2HD   ARG  37          2HD       ARG  37   9.368 -10.167 -11.161
  302    HE   ARG  37           HE       ARG  37   8.018 -11.593 -12.327
  303   1HH1  ARG  37          1HH1      ARG  37   7.765  -8.412 -13.718
  304   2HH1  ARG  37          2HH1      ARG  37   6.809  -8.934 -15.065
  305   1HH2  ARG  37          1HH2      ARG  37   6.757 -12.293 -14.095
  306   2HH2  ARG  37          2HH2      ARG  37   6.236 -11.141 -15.278
  307    H    ALA  38           H        ALA  38   6.778  -4.989  -8.289
  308    HA   ALA  38           HA       ALA  38   4.375  -6.695  -8.178
  309   1HB   ALA  38          1HB       ALA  38   6.035  -6.160  -6.062
  310   2HB   ALA  38          2HB       ALA  38   4.757  -4.960  -5.867
  311   3HB   ALA  38          3HB       ALA  38   4.352  -6.675  -5.945
  312    H    ILE  39           H        ILE  39   2.727  -5.004  -6.765
  313    HA   ILE  39           HA       ILE  39   2.531  -2.628  -8.498
  314    HB   ILE  39           HB       ILE  39   0.318  -4.477  -7.617
  315   1HG1  ILE  39          1HG1      ILE  39   1.760  -4.909  -9.715
  316   2HG1  ILE  39          2HG1      ILE  39   0.008  -4.954  -9.892
  317   1HG2  ILE  39          1HG2      ILE  39   0.191  -1.687  -8.710
  318   2HG2  ILE  39          2HG2      ILE  39  -1.136  -2.828  -8.920
  319   3HG2  ILE  39          3HG2      ILE  39  -0.625  -2.360  -7.299
  320   1HD1  ILE  39          1HD1      ILE  39   1.109  -2.307 -10.340
  321   2HD1  ILE  39          2HD1      ILE  39   1.762  -3.521 -11.440
  322   3HD1  ILE  39          3HD1      ILE  39   0.019  -3.270 -11.339
  323    H    ILE  40           H        ILE  40   1.546  -0.777  -7.591
  324    HA   ILE  40           HA       ILE  40   1.669  -0.713  -4.653
  325    HB   ILE  40           HB       ILE  40   1.810   1.576  -6.623
  326   1HG1  ILE  40          1HG1      ILE  40   3.783  -0.086  -6.420
  327   2HG1  ILE  40          2HG1      ILE  40   4.127   1.635  -6.289
  328   1HG2  ILE  40          1HG2      ILE  40   0.787   2.067  -4.375
  329   2HG2  ILE  40          2HG2      ILE  40   2.349   1.660  -3.666
  330   3HG2  ILE  40          3HG2      ILE  40   2.214   3.015  -4.786
  331   1HD1  ILE  40          1HD1      ILE  40   3.606   0.062  -3.817
  332   2HD1  ILE  40          2HD1      ILE  40   5.175  -0.050  -4.612
  333   3HD1  ILE  40          3HD1      ILE  40   4.583   1.512  -4.046
  334    H    LEU  41           H        LEU  41  -0.032   0.035  -3.440
  335    HA   LEU  41           HA       LEU  41  -2.487   0.759  -4.901
  336   1HB   LEU  41          1HB       LEU  41  -2.229  -1.065  -2.511
  337   2HB   LEU  41          2HB       LEU  41  -3.755  -0.446  -3.113
  338    HG   LEU  41           HG       LEU  41  -1.863  -2.246  -4.629
  339   1HD1  LEU  41          1HD1      LEU  41  -4.271  -2.716  -2.965
  340   2HD1  LEU  41          2HD1      LEU  41  -4.093  -3.666  -4.441
  341   3HD1  LEU  41          3HD1      LEU  41  -2.841  -3.722  -3.202
  342   1HD2  LEU  41          1HD2      LEU  41  -3.858  -0.469  -5.568
  343   2HD2  LEU  41          2HD2      LEU  41  -2.932  -1.660  -6.481
  344   3HD2  LEU  41          3HD2      LEU  41  -4.471  -2.114  -5.750
  345    H    GLU  42           H        GLU  42  -3.136   2.729  -4.392
  346    HA   GLU  42           HA       GLU  42  -2.411   3.838  -1.766
  347   1HB   GLU  42          1HB       GLU  42  -1.703   4.973  -3.962
  348   2HB   GLU  42          2HB       GLU  42  -3.393   5.429  -4.124
  349   1HG   GLU  42          1HG       GLU  42  -3.322   6.736  -2.152
  350   2HG   GLU  42          2HG       GLU  42  -1.743   6.092  -1.702
  351    H    THR  43           H        THR  43  -3.957   4.343  -0.319
  352    HA   THR  43           HA       THR  43  -6.751   3.988  -1.168
  353    HB   THR  43           HB       THR  43  -7.276   3.509   1.134
  354    HG1  THR  43           HG1      THR  43  -5.398   5.044   1.789
  355   1HG2  THR  43          1HG2      THR  43  -4.744   2.096   0.341
  356   2HG2  THR  43          2HG2      THR  43  -5.827   1.590   1.638
  357   3HG2  THR  43          3HG2      THR  43  -6.396   1.601  -0.032
  358    H    ARG  44           H        ARG  44  -8.365   5.322   0.106
  359    HA   ARG  44           HA       ARG  44  -7.969   8.043  -0.431
  360   1HB   ARG  44          1HB       ARG  44  -9.985   6.694   1.375
  361   2HB   ARG  44          2HB       ARG  44 -10.058   8.385   0.897
  362   1HG   ARG  44          1HG       ARG  44 -10.350   7.774  -1.410
  363   2HG   ARG  44          2HG       ARG  44 -10.119   6.067  -1.024
  364   1HD   ARG  44          1HD       ARG  44 -12.525   7.000  -1.317
  365   2HD   ARG  44          2HD       ARG  44 -12.179   5.884   0.004
  366    HE   ARG  44           HE       ARG  44 -11.946   8.691   0.665
  367   1HH1  ARG  44          1HH1      ARG  44 -13.997   5.878   0.577
  368   2HH1  ARG  44          2HH1      ARG  44 -15.094   6.481   1.773
  369   1HH2  ARG  44          1HH2      ARG  44 -13.384   9.495   2.241
  370   2HH2  ARG  44          2HH2      ARG  44 -14.745   8.537   2.721
  371    H    GLN  45           H        GLN  45  -6.864   6.158   2.143
  372    HA   GLN  45           HA       GLN  45  -6.551   8.493   3.898
  373   1HB   GLN  45          1HB       GLN  45  -5.862   5.690   4.710
  374   2HB   GLN  45          2HB       GLN  45  -6.369   7.041   5.714
  375   1HG   GLN  45          1HG       GLN  45  -8.366   6.179   3.756
  376   2HG   GLN  45          2HG       GLN  45  -7.950   4.964   4.965
  377   1HE2  GLN  45          1HE2      GLN  45 -10.076   5.155   5.788
  378   2HE2  GLN  45          2HE2      GLN  45 -10.516   6.476   6.811
  379    H    HIS  46           H        HIS  46  -4.977   7.693   1.432
  380    HA   HIS  46           HA       HIS  46  -2.829   7.797   0.707
  381   1HB   HIS  46          1HB       HIS  46  -2.525   9.004   3.450
  382   2HB   HIS  46          2HB       HIS  46  -1.157   8.830   2.354
  383    HD1  HIS  46           HD1      HIS  46  -1.094  10.366   0.283
  384    HD2  HIS  46           HD2      HIS  46  -4.384  10.978   2.744
  385    HE1  HIS  46           HE1      HIS  46  -2.126  12.522  -0.499
  386    HE2  HIS  46           HE2      HIS  46  -4.046  12.930   1.082
  387    H    ARG  47           H        ARG  47  -3.591   5.316   1.378
  388    HA   ARG  47           HA       ARG  47  -1.397   4.184   2.970
  389   1HB   ARG  47          1HB       ARG  47  -3.778   3.616   3.565
  390   2HB   ARG  47          2HB       ARG  47  -3.896   2.785   2.023
  391   1HG   ARG  47          1HG       ARG  47  -1.601   1.762   3.205
  392   2HG   ARG  47          2HG       ARG  47  -2.794   1.873   4.500
  393   1HD   ARG  47          1HD       ARG  47  -4.264   0.873   2.414
  394   2HD   ARG  47          2HD       ARG  47  -2.699   0.095   2.188
  395    HE   ARG  47           HE       ARG  47  -3.045  -1.110   4.120
  396   1HH1  ARG  47          1HH1      ARG  47  -5.432   1.409   3.846
  397   2HH1  ARG  47          2HH1      ARG  47  -6.408   0.805   5.143
  398   1HH2  ARG  47          1HH2      ARG  47  -4.322  -1.915   5.832
  399   2HH2  ARG  47          2HH2      ARG  47  -5.776  -1.086   6.273
  400    H    LEU  48           H        LEU  48   0.307   3.704   1.743
  401    HA   LEU  48           HA       LEU  48  -0.144   2.602  -0.943
  402   1HB   LEU  48          1HB       LEU  48   2.353   3.801   0.254
  403   2HB   LEU  48          2HB       LEU  48   2.192   3.215  -1.391
  404    HG   LEU  48           HG       LEU  48   0.632   5.523  -0.229
  405   1HD1  LEU  48          1HD1      LEU  48   3.163   5.790  -0.568
  406   2HD1  LEU  48          2HD1      LEU  48   2.794   5.721  -2.292
  407   3HD1  LEU  48          3HD1      LEU  48   2.092   6.992  -1.289
  408   1HD2  LEU  48          1HD2      LEU  48  -0.549   4.342  -2.013
  409   2HD2  LEU  48          2HD2      LEU  48  -0.024   5.939  -2.541
  410   3HD2  LEU  48          3HD2      LEU  48   0.861   4.503  -3.059
  411    H    PHE  49           H        PHE  49   0.013   0.477  -1.133
  412    HA   PHE  49           HA       PHE  49   1.979  -0.944   0.538
  413   1HB   PHE  49          1HB       PHE  49  -0.904  -1.552   0.058
  414   2HB   PHE  49          2HB       PHE  49   0.217  -2.899   0.229
  415    HD1  PHE  49           HD1      PHE  49  -0.781   0.270   1.920
  416    HD2  PHE  49           HD2      PHE  49   0.700  -3.708   2.337
  417    HE1  PHE  49           HE1      PHE  49  -0.913   0.483   4.372
  418    HE2  PHE  49           HE2      PHE  49   0.570  -3.504   4.789
  419    HZ   PHE  49           HZ       PHE  49  -0.236  -1.407   5.810
  420    H    CYS  50           H        CYS  50   2.640  -3.058  -0.376
  421    HA   CYS  50           HA       CYS  50   2.773  -2.891  -3.310
  422   1HB   CYS  50          1HB       CYS  50   4.721  -3.731  -1.221
  423   2HB   CYS  50          2HB       CYS  50   4.779  -4.562  -2.772
  424    H    ALA  51           H        ALA  51   1.011  -4.086  -3.912
  425    HA   ALA  51           HA       ALA  51   0.820  -6.833  -2.880
  426   1HB   ALA  51          1HB       ALA  51  -1.225  -5.127  -4.292
  427   2HB   ALA  51          2HB       ALA  51  -1.475  -6.806  -3.813
  428   3HB   ALA  51          3HB       ALA  51  -1.207  -5.568  -2.585
  429    H    ASP  52           H        ASP  52   0.982  -8.572  -4.209
  430    HA   ASP  52           HA       ASP  52   2.276  -8.235  -6.720
  431   1HB   ASP  52          1HB       ASP  52   1.645 -10.418  -4.921
  432   2HB   ASP  52          2HB       ASP  52   1.358 -10.877  -6.597
  433    HA   PRO  53           HA       PRO  53  -1.172  -7.756  -9.429
  434   1HB   PRO  53          1HB       PRO  53  -0.052  -8.925 -11.660
  435   2HB   PRO  53          2HB       PRO  53   0.221  -7.255 -11.156
  436   1HG   PRO  53          1HG       PRO  53   1.920  -9.669 -10.718
  437   2HG   PRO  53          2HG       PRO  53   2.406  -8.013 -11.126
  438   1HD   PRO  53          1HD       PRO  53   2.633  -8.970  -8.630
  439   2HD   PRO  53          2HD       PRO  53   2.187  -7.278  -8.941
  440    H    LYS  54           H        LYS  54   0.286 -10.818  -8.735
  441    HA   LYS  54           HA       LYS  54  -1.586 -12.434 -10.162
  442   1HB   LYS  54          1HB       LYS  54   0.495 -12.958  -8.070
  443   2HB   LYS  54          2HB       LYS  54  -0.658 -14.216  -8.492
  444   1HG   LYS  54          1HG       LYS  54   0.060 -14.015 -10.853
  445   2HG   LYS  54          2HG       LYS  54   1.293 -12.861 -10.341
  446   1HD   LYS  54          1HD       LYS  54   1.394 -15.240  -8.722
  447   2HD   LYS  54          2HD       LYS  54   1.507 -15.649 -10.435
  448   1HE   LYS  54          1HE       LYS  54   3.705 -15.240 -10.059
  449   2HE   LYS  54          2HE       LYS  54   3.196 -13.585 -10.391
  450   1HZ   LYS  54          1HZ       LYS  54   2.929 -14.400  -7.631
  451   2HZ   LYS  54          2HZ       LYS  54   4.525 -14.355  -8.193
  452   3HZ   LYS  54          3HZ       LYS  54   3.555 -12.971  -8.282
  453    H    GLU  55           H        GLU  55  -1.486 -10.976  -7.004
  454    HA   GLU  55           HA       GLU  55  -3.339 -12.533  -5.634
  455   1HB   GLU  55          1HB       GLU  55  -2.771  -9.572  -5.462
  456   2HB   GLU  55          2HB       GLU  55  -3.803 -10.432  -4.326
  457   1HG   GLU  55          1HG       GLU  55  -1.891 -11.887  -3.752
  458   2HG   GLU  55          2HG       GLU  55  -0.874 -10.916  -4.817
  459    H    GLN  56           H        GLN  56  -5.491 -12.765  -5.706
  460    HA   GLN  56           HA       GLN  56  -6.983 -11.952  -7.914
  461   1HB   GLN  56          1HB       GLN  56  -7.527 -13.862  -6.398
  462   2HB   GLN  56          2HB       GLN  56  -8.073 -12.702  -5.197
  463   1HG   GLN  56          1HG       GLN  56  -9.245 -13.060  -7.947
  464   2HG   GLN  56          2HG       GLN  56  -9.929 -13.681  -6.445
  465   1HE2  GLN  56          2HE2      GLN  56  -9.596 -10.989  -8.517
  466   2HE2  GLN  56          1HE2      GLN  56 -10.528  -9.867  -7.594
  467    H    TRP  57           H        TRP  57  -7.236 -10.740  -4.566
  468    HA   TRP  57           HA       TRP  57  -9.080  -8.736  -5.019
  469   1HB   TRP  57          1HB       TRP  57  -8.510  -7.872  -2.921
  470   2HB   TRP  57          2HB       TRP  57  -8.062  -9.570  -2.802
  471    HD1  TRP  57           HD1      TRP  57  -5.333 -10.074  -3.173
  472    HE1  TRP  57           HE1      TRP  57  -3.331  -8.669  -2.374
  473    HE3  TRP  57           HE3      TRP  57  -7.718  -5.609  -2.429
  474    HZ2  TRP  57           HZ2      TRP  57  -2.826  -6.016  -1.540
  475    HZ3  TRP  57           HZ3      TRP  57  -6.404  -3.684  -1.628
  476    HH2  TRP  57           HH2      TRP  57  -4.007  -3.886  -1.192
  477    H    VAL  58           H        VAL  58  -5.841  -8.882  -6.107
  478    HA   VAL  58           HA       VAL  58  -5.578  -6.001  -6.400
  479    HB   VAL  58           HB       VAL  58  -3.754  -8.253  -7.255
  480   1HG1  VAL  58          1HG1      VAL  58  -3.844  -5.621  -8.223
  481   2HG1  VAL  58          2HG1      VAL  58  -2.484  -5.685  -7.101
  482   3HG1  VAL  58          3HG1      VAL  58  -2.564  -6.812  -8.455
  483   1HG2  VAL  58          1HG2      VAL  58  -3.624  -6.294  -4.965
  484   2HG2  VAL  58          2HG2      VAL  58  -3.844  -8.041  -4.861
  485   3HG2  VAL  58          3HG2      VAL  58  -2.313  -7.379  -5.430
  486    H    LYS  59           H        LYS  59  -6.202  -8.838  -8.379
  487    HA   LYS  59           HA       LYS  59  -6.003  -7.543 -10.896
  488   1HB   LYS  59          1HB       LYS  59  -7.485 -10.041 -10.054
  489   2HB   LYS  59          2HB       LYS  59  -7.300  -9.522 -11.722
  490   1HG   LYS  59          1HG       LYS  59  -5.010  -9.945 -11.732
  491   2HG   LYS  59          2HG       LYS  59  -4.918  -9.978  -9.968
  492   1HD   LYS  59          1HD       LYS  59  -6.052 -12.064  -9.868
  493   2HD   LYS  59          2HD       LYS  59  -6.480 -11.987 -11.577
  494   1HE   LYS  59          1HE       LYS  59  -4.038 -12.057 -12.109
  495   2HE   LYS  59          2HE       LYS  59  -3.729 -12.341 -10.397
  496   1HZ   LYS  59          1HZ       LYS  59  -5.341 -14.293 -10.693
  497   2HZ   LYS  59          2HZ       LYS  59  -5.054 -14.109 -12.350
  498   3HZ   LYS  59          3HZ       LYS  59  -3.770 -14.455 -11.301
  499    H    ASP  60           H        ASP  60  -8.755  -8.362  -8.806
  500    HA   ASP  60           HA       ASP  60 -10.677  -7.096 -10.498
  501   1HB   ASP  60          1HB       ASP  60 -11.381  -8.892  -9.031
  502   2HB   ASP  60          2HB       ASP  60 -10.839  -7.995  -7.615
  503    H    ALA  61           H        ALA  61  -9.031  -6.195  -7.478
  504    HA   ALA  61           HA       ALA  61 -10.306  -3.818  -6.924
  505   1HB   ALA  61          1HB       ALA  61  -7.449  -4.657  -6.533
  506   2HB   ALA  61          2HB       ALA  61  -8.047  -3.092  -5.982
  507   3HB   ALA  61          3HB       ALA  61  -8.748  -4.580  -5.343
  508    H    MET  62           H        MET  62  -7.621  -4.399  -9.165
  509    HA   MET  62           HA       MET  62  -7.296  -1.690  -9.925
  510   1HB   MET  62          1HB       MET  62  -6.437  -4.311 -11.106
  511   2HB   MET  62          2HB       MET  62  -6.192  -2.813 -11.996
  512   1HG   MET  62          1HG       MET  62  -5.093  -2.030  -9.749
  513   2HG   MET  62          2HG       MET  62  -4.911  -3.763  -9.487
  514   1HE   MET  62          1HE       MET  62  -4.892  -4.309 -12.756
  515   2HE   MET  62          2HE       MET  62  -3.176  -4.446 -13.136
  516   3HE   MET  62          3HE       MET  62  -3.845  -5.313 -11.754
  517    H    GLN  63           H        GLN  63  -8.749  -4.418 -11.708
  518    HA   GLN  63           HA       GLN  63  -9.766  -3.038 -13.852
  519   1HB   GLN  63          1HB       GLN  63  -9.863  -5.524 -13.487
  520   2HB   GLN  63          2HB       GLN  63 -11.229  -5.258 -12.411
  521   1HG   GLN  63          1HG       GLN  63 -11.844  -3.904 -14.784
  522   2HG   GLN  63          2HG       GLN  63 -11.174  -5.463 -15.266
  523   1HE2  GLN  63          2HE2      GLN  63 -13.839  -3.810 -13.920
  524   2HE2  GLN  63          1HE2      GLN  63 -14.859  -5.183 -13.667
  525    H    HIS  64           H        HIS  64 -10.761  -2.950 -10.557
  526    HA   HIS  64           HA       HIS  64 -13.361  -1.852 -11.006
  527   1HB   HIS  64          1HB       HIS  64 -12.578  -3.122  -8.934
  528   2HB   HIS  64          2HB       HIS  64 -11.757  -1.636  -8.463
  529    HD1  HIS  64           HD1      HIS  64 -15.250  -2.924  -9.161
  530    HD2  HIS  64           HD2      HIS  64 -13.337   0.198  -7.195
  531    HE1  HIS  64           HE1      HIS  64 -17.058  -1.715  -7.900
  532    HE2  HIS  64           HE2      HIS  64 -15.867   0.131  -6.664
  533    H    LEU  65           H        LEU  65 -10.235  -0.530  -9.983
  534    HA   LEU  65           HA       LEU  65 -11.088   2.150  -9.784
  535   1HB   LEU  65          1HB       LEU  65  -8.330   1.053 -10.332
  536   2HB   LEU  65          2HB       LEU  65  -8.688   2.697  -9.845
  537    HG   LEU  65           HG       LEU  65  -9.185   0.227  -8.183
  538   1HD1  LEU  65          1HD1      LEU  65  -6.795   0.894  -8.497
  539   2HD1  LEU  65          2HD1      LEU  65  -7.191   2.437  -7.739
  540   3HD1  LEU  65          3HD1      LEU  65  -7.362   0.937  -6.827
  541   1HD2  LEU  65          1HD2      LEU  65  -9.581   3.150  -7.551
  542   2HD2  LEU  65          2HD2      LEU  65 -10.847   1.933  -7.732
  543   3HD2  LEU  65          3HD2      LEU  65  -9.707   1.828  -6.390
  544    H    ASP  66           H        ASP  66 -10.059   0.183 -12.466
  545    HA   ASP  66           HA       ASP  66  -9.527   2.321 -14.274
  546   1HB   ASP  66          1HB       ASP  66 -10.105  -0.612 -14.703
  547   2HB   ASP  66          2HB       ASP  66  -9.737   0.496 -16.021
  548    H    ARG  67           H        ARG  67 -12.388   0.643 -13.260
  549    HA   ARG  67           HA       ARG  67 -14.017   1.449 -15.475
  550   1HB   ARG  67          1HB       ARG  67 -14.348  -0.533 -13.818
  551   2HB   ARG  67          2HB       ARG  67 -15.115   0.671 -12.795
  552   1HG   ARG  67          1HG       ARG  67 -16.998   0.525 -13.946
  553   2HG   ARG  67          2HG       ARG  67 -16.152   0.863 -15.457
  554   1HD   ARG  67          1HD       ARG  67 -16.814  -1.218 -16.001
  555   2HD   ARG  67          2HD       ARG  67 -15.411  -1.698 -15.049
  556    HE   ARG  67           HE       ARG  67 -16.851  -2.678 -13.589
  557   1HH1  ARG  67          1HH1      ARG  67 -18.553  -0.136 -15.252
  558   2HH1  ARG  67          2HH1      ARG  67 -20.067  -0.467 -14.480
  559   1HH2  ARG  67          1HH2      ARG  67 -18.838  -3.125 -12.567
  560   2HH2  ARG  67          2HH2      ARG  67 -20.229  -2.168 -12.953
  561    H    GLN  68           H        GLN  68 -13.390   2.664 -12.228
  562    HA   GLN  68           HA       GLN  68 -15.379   4.511 -11.894
  563   1HB   GLN  68          1HB       GLN  68 -12.627   4.208 -10.945
  564   2HB   GLN  68          2HB       GLN  68 -13.171   5.881 -10.976
  565   1HG   GLN  68          1HG       GLN  68 -14.403   5.591  -9.161
  566   2HG   GLN  68          2HG       GLN  68 -15.192   4.172  -9.848
  567   1HE2  GLN  68          2HE2      GLN  68 -13.744   2.178  -9.864
  568   2HE2  GLN  68          1HE2      GLN  68 -12.860   1.871  -8.413
  569    H    ALA  69           H        ALA  69 -12.242   5.159 -13.469
  570    HA   ALA  69           HA       ALA  69 -12.887   7.761 -14.320
  571   1HB   ALA  69          1HB       ALA  69 -10.678   5.994 -14.531
  572   2HB   ALA  69          2HB       ALA  69 -11.038   6.612 -16.142
  573   3HB   ALA  69          3HB       ALA  69 -10.727   7.733 -14.818
  574    H    ALA  70           H        ALA  70 -13.050   4.643 -16.017
  575    HA   ALA  70           HA       ALA  70 -13.877   5.590 -18.506
  576   1HB   ALA  70          1HB       ALA  70 -13.361   3.125 -17.435
  577   2HB   ALA  70          2HB       ALA  70 -15.096   3.048 -17.742
  578   3HB   ALA  70          3HB       ALA  70 -13.983   3.425 -19.058
  579    H    ALA  71           H        ALA  71 -15.765   4.756 -15.635
  580    HA   ALA  71           HA       ALA  71 -18.311   4.958 -16.762
  581   1HB   ALA  71          1HB       ALA  71 -17.191   4.700 -14.130
  582   2HB   ALA  71          2HB       ALA  71 -18.547   5.827 -14.116
  583   3HB   ALA  71          3HB       ALA  71 -18.769   4.189 -14.730
  584    H    LEU  72           H        LEU  72 -16.001   7.353 -16.229
  585    HA   LEU  72           HA       LEU  72 -18.047   9.446 -16.555
  586   1HB   LEU  72          1HB       LEU  72 -16.816   9.334 -14.296
  587   2HB   LEU  72          2HB       LEU  72 -15.426   9.932 -15.174
  588    HG   LEU  72           HG       LEU  72 -17.560  11.613 -15.831
  589   1HD1  LEU  72          1HD1      LEU  72 -17.710  10.616 -13.075
  590   2HD1  LEU  72          2HD1      LEU  72 -17.773  12.370 -13.257
  591   3HD1  LEU  72          3HD1      LEU  72 -18.952  11.354 -14.085
  592   1HD2  LEU  72          1HD2      LEU  72 -14.963  11.760 -14.476
  593   2HD2  LEU  72          2HD2      LEU  72 -15.624  12.753 -15.776
  594   3HD2  LEU  72          3HD2      LEU  72 -16.086  13.066 -14.103
  595    H    THR  73           H        THR  73 -16.447   7.930 -18.526
  596    HA   THR  73           HA       THR  73 -15.424   8.342 -20.516
  597    HB   THR  73           HB       THR  73 -15.970  10.278 -21.545
  598    HG1  THR  73           HG1      THR  73 -14.516  11.692 -20.914
  599   1HG2  THR  73          1HG2      THR  73 -17.818   9.797 -19.689
  600   2HG2  THR  73          2HG2      THR  73 -17.307  11.403 -19.170
  601   3HG2  THR  73          3HG2      THR  73 -17.909  11.157 -20.808
  602    H    ARG  74           H        ARG  74 -13.350   8.689 -21.331
  603    HA   ARG  74           HA       ARG  74 -11.348   9.275 -19.280
  604   1HB   ARG  74          1HB       ARG  74 -10.861   7.216 -20.267
  605   2HB   ARG  74          2HB       ARG  74 -11.301   7.773 -21.876
  606   1HG   ARG  74          1HG       ARG  74  -9.297   9.025 -22.082
  607   2HG   ARG  74          2HG       ARG  74  -8.902   8.792 -20.379
  608   1HD   ARG  74          1HD       ARG  74  -8.067   6.731 -20.724
  609   2HD   ARG  74          2HD       ARG  74  -9.300   6.320 -21.916
  610    HE   ARG  74           HE       ARG  74  -7.293   8.207 -22.803
  611   1HH1  ARG  74          1HH1      ARG  74  -8.287   4.875 -22.610
  612   2HH1  ARG  74          2HH1      ARG  74  -7.294   4.367 -23.937
  613   1HH2  ARG  74          1HH2      ARG  74  -5.980   7.550 -24.549
  614   2HH2  ARG  74          2HH2      ARG  74  -5.981   5.888 -25.038
  615    H    ASN  75           H        ASN  75 -12.645  10.494 -22.249
  616    HA   ASN  75           HA       ASN  75 -10.712  12.709 -22.142
  617   1HB   ASN  75          1HB       ASN  75 -10.973  12.837 -24.664
  618   2HB   ASN  75          2HB       ASN  75 -10.059  11.459 -24.057
  619   1HD2  ASN  75          2HD2      ASN  75 -11.973  12.165 -26.425
  620   2HD2  ASN  75          1HD2      ASN  75 -12.932  10.735 -26.559
  621    H    GLY  76           H        GLY  76 -13.948  11.627 -23.049
  622   1HA   GLY  76          1HA       GLY  76 -14.894  14.304 -23.553
  623   2HA   GLY  76          2HA       GLY  76 -15.866  12.841 -23.521
  Start of MODEL   13
    1   2H    MET   0          2H        MET   0  23.109   8.030  -2.741
    2   3H    MET   0          3H        MET   0  22.528   8.182  -1.136
    3   1H    MET   0          1H        MET   0  23.775   9.220  -1.697
    4    HA   MET   0           HA       MET   0  23.879   6.369  -1.044
    5   1HB   MET   0          1HB       MET   0  25.064   7.633  -3.294
    6   2HB   MET   0          2HB       MET   0  26.347   7.343  -2.125
    7   1HG   MET   0          1HG       MET   0  26.112   5.059  -2.224
    8   2HG   MET   0          2HG       MET   0  24.442   5.150  -2.779
    9   1HE   MET   0          1HE       MET   0  28.157   4.965  -3.706
   10   2HE   MET   0          2HE       MET   0  28.223   5.589  -5.354
   11   3HE   MET   0          3HE       MET   0  27.897   6.683  -4.010
   12    H    GLN   1           H        GLN   1  23.537   8.915   0.458
   13    HA   GLN   1           HA       GLN   1  26.078   8.910   1.949
   14   1HB   GLN   1          1HB       GLN   1  24.246  11.062   1.143
   15   2HB   GLN   1          2HB       GLN   1  24.753  11.141   2.825
   16   1HG   GLN   1          1HG       GLN   1  27.081  10.621   1.382
   17   2HG   GLN   1          2HG       GLN   1  26.201  11.821   0.437
   18   1HE2  GLN   1          2HE2      GLN   1  27.800  13.363   0.907
   19   2HE2  GLN   1          1HE2      GLN   1  27.880  14.134   2.450
   20    H    HIS   2           H        HIS   2  23.676   7.120   2.185
   21    HA   HIS   2           HA       HIS   2  23.287   7.496   5.070
   22   1HB   HIS   2          1HB       HIS   2  20.899   6.381   4.305
   23   2HB   HIS   2          2HB       HIS   2  21.154   8.088   4.656
   24    HD1  HIS   2           HD1      HIS   2  21.753   5.941   1.561
   25    HD2  HIS   2           HD2      HIS   2  20.025   9.546   2.696
   26    HE1  HIS   2           HE1      HIS   2  20.879   6.965  -0.563
   27    HE2  HIS   2           HE2      HIS   2  19.917   9.186   0.137
   28    H    HIS   3           H        HIS   3  24.978   5.733   3.377
   29    HA   HIS   3           HA       HIS   3  25.661   3.565   3.278
   30   1HB   HIS   3          1HB       HIS   3  24.280   3.780   5.913
   31   2HB   HIS   3          2HB       HIS   3  24.723   2.173   5.346
   32    HD1  HIS   3           HD1      HIS   3  26.159   2.818   7.767
   33    HD2  HIS   3           HD2      HIS   3  27.510   4.208   4.092
   34    HE1  HIS   3           HE1      HIS   3  28.597   3.336   8.099
   35    HE2  HIS   3           HE2      HIS   3  29.414   4.086   5.838
   36    H    GLY   4           H        GLY   4  22.946   4.405   2.180
   37   1HA   GLY   4          1HA       GLY   4  22.056   1.675   1.589
   38   2HA   GLY   4          2HA       GLY   4  20.871   2.818   2.201
   39    H    VAL   5           H        VAL   5  21.209   1.375  -0.428
   40    HA   VAL   5           HA       VAL   5  21.006   3.765  -2.144
   41    HB   VAL   5           HB       VAL   5  23.068   2.623  -2.704
   42   1HG1  VAL   5          1HG1      VAL   5  21.888   0.344  -1.904
   43   2HG1  VAL   5          2HG1      VAL   5  21.749   0.162  -3.653
   44   3HG1  VAL   5          3HG1      VAL   5  23.333   0.390  -2.912
   45   1HG2  VAL   5          1HG2      VAL   5  21.761   3.614  -4.526
   46   2HG2  VAL   5          2HG2      VAL   5  22.681   2.212  -5.069
   47   3HG2  VAL   5          3HG2      VAL   5  20.948   2.069  -4.777
   48    H    THR   6           H        THR   6  18.866   3.968  -2.454
   49    HA   THR   6           HA       THR   6  17.421   1.621  -3.481
   50    HB   THR   6           HB       THR   6  15.369   2.574  -2.369
   51    HG1  THR   6           HG1      THR   6  17.305   4.345  -1.445
   52   1HG2  THR   6          1HG2      THR   6  17.233   0.880  -1.318
   53   2HG2  THR   6          2HG2      THR   6  17.080   2.108  -0.063
   54   3HG2  THR   6          3HG2      THR   6  15.653   1.232  -0.620
   55    H    LYS   7           H        LYS   7  16.023   4.770  -3.007
   56    HA   LYS   7           HA       LYS   7  15.556   6.481  -4.482
   57   1HB   LYS   7          1HB       LYS   7  17.688   5.678  -5.702
   58   2HB   LYS   7          2HB       LYS   7  16.586   4.816  -6.766
   59   1HG   LYS   7          1HG       LYS   7  15.519   6.902  -7.391
   60   2HG   LYS   7          2HG       LYS   7  16.557   7.788  -6.272
   61   1HD   LYS   7          1HD       LYS   7  18.498   7.295  -7.554
   62   2HD   LYS   7          2HD       LYS   7  17.625   6.122  -8.543
   63   1HE   LYS   7          1HE       LYS   7  17.779   8.014  -9.905
   64   2HE   LYS   7          2HE       LYS   7  16.147   8.091  -9.241
   65   1HZ   LYS   7          1HZ       LYS   7  18.224   9.455  -7.727
   66   2HZ   LYS   7          2HZ       LYS   7  17.816  10.144  -9.216
   67   3HZ   LYS   7          3HZ       LYS   7  16.626   9.918  -8.033
   68    H    CYS   8           H        CYS   8  13.729   4.649  -3.632
   69    HA   CYS   8           HA       CYS   8  11.842   4.667  -5.842
   70   1HB   CYS   8          1HB       CYS   8  13.100   2.407  -5.738
   71   2HB   CYS   8          2HB       CYS   8  12.154   2.116  -4.281
   72    H    ASN   9           H        ASN   9  10.442   6.025  -4.861
   73    HA   ASN   9           HA       ASN   9   9.829   6.514  -2.313
   74   1HB   ASN   9          1HB       ASN   9   7.377   6.756  -3.083
   75   2HB   ASN   9          2HB       ASN   9   8.599   7.730  -3.893
   76   1HD2  ASN   9          2HD2      ASN   9   5.931   6.033  -4.448
   77   2HD2  ASN   9          1HD2      ASN   9   6.229   5.478  -6.056
   78    H    ILE  10           H        ILE  10   8.727   3.676  -4.098
   79    HA   ILE  10           HA       ILE  10   8.008   2.436  -1.534
   80    HB   ILE  10           HB       ILE  10   5.977   3.244  -2.857
   81   1HG1  ILE  10          1HG1      ILE  10   5.810   0.290  -2.466
   82   2HG1  ILE  10          2HG1      ILE  10   6.260   1.284  -1.083
   83   1HG2  ILE  10          1HG2      ILE  10   7.004   2.358  -5.035
   84   2HG2  ILE  10          2HG2      ILE  10   6.427   0.779  -4.504
   85   3HG2  ILE  10          3HG2      ILE  10   5.282   2.094  -4.765
   86   1HD1  ILE  10          1HD1      ILE  10   4.202   2.622  -1.476
   87   2HD1  ILE  10          2HD1      ILE  10   3.734   1.439  -2.697
   88   3HD1  ILE  10          3HD1      ILE  10   3.916   0.944  -1.015
   89    H    THR  11           H        THR  11   9.118   0.626  -1.253
   90    HA   THR  11           HA       THR  11  10.150  -0.780  -3.618
   91    HB   THR  11           HB       THR  11  11.867  -0.009  -2.065
   92    HG1  THR  11           HG1      THR  11  11.436  -2.638  -2.641
   93   1HG2  THR  11          1HG2      THR  11  10.550  -0.014   0.007
   94   2HG2  THR  11          2HG2      THR  11  10.578  -1.777   0.000
   95   3HG2  THR  11          3HG2      THR  11  12.082  -0.870   0.173
   96    H    CYS  12           H        CYS  12   9.104  -2.553  -4.195
   97    HA   CYS  12           HA       CYS  12   7.231  -3.835  -2.434
   98   1HB   CYS  12          1HB       CYS  12   8.155  -4.650  -5.197
   99   2HB   CYS  12          2HB       CYS  12   6.759  -5.297  -4.342
  100    H    SER  13           H        SER  13   9.249  -4.186  -0.943
  101    HA   SER  13           HA       SER  13  10.942  -6.401  -1.578
  102   1HB   SER  13          1HB       SER  13  10.793  -5.995   1.250
  103   2HB   SER  13          2HB       SER  13  12.104  -5.571   0.147
  104    HG   SER  13           HG       SER  13  11.572  -3.587   0.547
  105    H    LYS  14           H        LYS  14   7.799  -6.034  -0.208
  106    HA   LYS  14           HA       LYS  14   7.478  -8.907  -0.098
  107   1HB   LYS  14          1HB       LYS  14   7.013  -9.148   2.160
  108   2HB   LYS  14          2HB       LYS  14   8.350  -8.006   2.187
  109   1HG   LYS  14          1HG       LYS  14   5.445  -7.231   2.334
  110   2HG   LYS  14          2HG       LYS  14   6.505  -7.428   3.730
  111   1HD   LYS  14          1HD       LYS  14   7.797  -5.738   1.835
  112   2HD   LYS  14          2HD       LYS  14   6.157  -5.142   2.096
  113   1HE   LYS  14          1HE       LYS  14   6.981  -5.731   4.640
  114   2HE   LYS  14          2HE       LYS  14   8.467  -5.151   3.890
  115   1HZ   LYS  14          1HZ       LYS  14   5.992  -3.614   3.526
  116   2HZ   LYS  14          2HZ       LYS  14   6.818  -3.493   4.996
  117   3HZ   LYS  14          3HZ       LYS  14   7.596  -3.076   3.553
  118    H    MET  15           H        MET  15   5.214  -9.540   0.215
  119    HA   MET  15           HA       MET  15   3.446  -7.581  -1.018
  120   1HB   MET  15          1HB       MET  15   2.997 -10.514  -0.439
  121   2HB   MET  15          2HB       MET  15   1.931  -9.475  -1.376
  122   1HG   MET  15          1HG       MET  15   4.706 -10.381  -2.082
  123   2HG   MET  15          2HG       MET  15   3.197 -10.772  -2.904
  124   1HE   MET  15          1HE       MET  15   6.187  -8.464  -2.630
  125   2HE   MET  15          2HE       MET  15   6.076  -9.466  -4.076
  126   3HE   MET  15          3HE       MET  15   6.033  -7.708  -4.217
  127    H    THR  16           H        THR  16   1.239  -7.305  -0.235
  128    HA   THR  16           HA       THR  16   1.153  -7.353   2.703
  129    HB   THR  16           HB       THR  16   0.976  -5.154   1.397
  130    HG1  THR  16           HG1      THR  16   0.092  -4.496   3.165
  131   1HG2  THR  16          1HG2      THR  16  -0.619  -5.915  -0.309
  132   2HG2  THR  16          2HG2      THR  16  -1.837  -6.123   0.951
  133   3HG2  THR  16          3HG2      THR  16  -1.201  -4.516   0.595
  134    H    SER  17           H        SER  17  -1.523  -6.991   3.132
  135    HA   SER  17           HA       SER  17  -2.609  -9.579   2.262
  136   1HB   SER  17          1HB       SER  17  -3.155  -7.868   4.688
  137   2HB   SER  17          2HB       SER  17  -4.183  -9.229   4.239
  138    HG   SER  17           HG       SER  17  -1.796 -10.200   4.154
  139    H    LYS  18           H        LYS  18  -5.062  -9.626   2.141
  140    HA   LYS  18           HA       LYS  18  -5.971  -8.079   0.053
  141   1HB   LYS  18          1HB       LYS  18  -6.998 -10.133   1.610
  142   2HB   LYS  18          2HB       LYS  18  -8.129  -8.811   1.870
  143   1HG   LYS  18          1HG       LYS  18  -8.153  -8.598  -0.688
  144   2HG   LYS  18          2HG       LYS  18  -7.422 -10.204  -0.683
  145   1HD   LYS  18          1HD       LYS  18  -9.293 -11.171   0.363
  146   2HD   LYS  18          2HD       LYS  18  -9.941  -9.600   0.838
  147   1HE   LYS  18          1HE       LYS  18 -10.342  -9.064  -1.521
  148   2HE   LYS  18          2HE       LYS  18  -9.714 -10.646  -1.983
  149   1HZ   LYS  18          1HZ       LYS  18 -11.511 -11.636  -0.619
  150   2HZ   LYS  18          2HZ       LYS  18 -12.154 -10.089  -0.386
  151   3HZ   LYS  18          3HZ       LYS  18 -12.080 -10.751  -1.942
  152    H    ILE  19           H        ILE  19  -7.666  -6.444  -0.022
  153    HA   ILE  19           HA       ILE  19  -8.160  -4.854   2.334
  154    HB   ILE  19           HB       ILE  19  -6.672  -3.571   0.044
  155   1HG1  ILE  19          1HG1      ILE  19  -5.685  -4.312   2.808
  156   2HG1  ILE  19          2HG1      ILE  19  -5.191  -5.074   1.299
  157   1HG2  ILE  19          1HG2      ILE  19  -8.347  -2.240   1.443
  158   2HG2  ILE  19          2HG2      ILE  19  -7.189  -2.411   2.762
  159   3HG2  ILE  19          3HG2      ILE  19  -6.719  -1.584   1.278
  160   1HD1  ILE  19          1HD1      ILE  19  -4.308  -2.858   0.568
  161   2HD1  ILE  19          2HD1      ILE  19  -4.632  -2.265   2.196
  162   3HD1  ILE  19          3HD1      ILE  19  -3.477  -3.573   1.949
  163    HA   PRO  20           HA       PRO  20 -11.943  -4.216   0.141
  164   1HB   PRO  20          1HB       PRO  20 -12.131  -1.692   1.661
  165   2HB   PRO  20          2HB       PRO  20 -13.235  -3.062   1.626
  166   1HG   PRO  20          1HG       PRO  20 -11.675  -2.566   3.740
  167   2HG   PRO  20          2HG       PRO  20 -12.056  -4.212   3.222
  168   1HD   PRO  20          1HD       PRO  20  -9.549  -2.640   2.836
  169   2HD   PRO  20          2HD       PRO  20  -9.753  -4.369   3.182
  170    H    VAL  21           H        VAL  21 -12.108  -3.493  -1.879
  171    HA   VAL  21           HA       VAL  21 -10.433  -1.620  -3.072
  172    HB   VAL  21           HB       VAL  21 -11.699  -3.216  -4.399
  173   1HG1  VAL  21          1HG1      VAL  21 -13.758  -3.081  -2.950
  174   2HG1  VAL  21          2HG1      VAL  21 -14.174  -1.605  -3.823
  175   3HG1  VAL  21          3HG1      VAL  21 -14.050  -3.136  -4.689
  176   1HG2  VAL  21          1HG2      VAL  21 -11.061  -0.776  -5.182
  177   2HG2  VAL  21          2HG2      VAL  21 -11.964  -1.871  -6.229
  178   3HG2  VAL  21          3HG2      VAL  21 -12.811  -0.618  -5.323
  179    H    ALA  22           H        ALA  22 -13.239  -1.169  -1.134
  180    HA   ALA  22           HA       ALA  22 -14.071   1.365  -2.041
  181   1HB   ALA  22          1HB       ALA  22 -14.366  -0.004   0.622
  182   2HB   ALA  22          2HB       ALA  22 -15.106   1.552   0.243
  183   3HB   ALA  22          3HB       ALA  22 -15.555   0.114  -0.675
  184    H    LEU  23           H        LEU  23 -11.222   0.445  -0.525
  185    HA   LEU  23           HA       LEU  23 -10.813   3.102   0.658
  186   1HB   LEU  23          1HB       LEU  23  -9.406   0.468   1.051
  187   2HB   LEU  23          2HB       LEU  23  -8.751   1.982   1.646
  188    HG   LEU  23           HG       LEU  23 -10.159   0.439   3.219
  189   1HD1  LEU  23          1HD1      LEU  23  -9.541   3.175   3.151
  190   2HD1  LEU  23          2HD1      LEU  23 -11.218   3.057   3.684
  191   3HD1  LEU  23          3HD1      LEU  23  -9.952   2.193   4.557
  192   1HD2  LEU  23          1HD2      LEU  23 -12.064   0.406   1.560
  193   2HD2  LEU  23          2HD2      LEU  23 -12.490   0.797   3.227
  194   3HD2  LEU  23          3HD2      LEU  23 -12.374   2.080   2.022
  195    H    LEU  24           H        LEU  24  -9.891   1.071  -1.955
  196    HA   LEU  24           HA       LEU  24  -7.391   2.345  -2.530
  197   1HB   LEU  24          1HB       LEU  24  -9.095   0.786  -4.464
  198   2HB   LEU  24          2HB       LEU  24  -7.359   1.036  -4.519
  199    HG   LEU  24           HG       LEU  24  -8.866  -0.653  -2.519
  200   1HD1  LEU  24          1HD1      LEU  24  -6.987  -1.348  -4.770
  201   2HD1  LEU  24          2HD1      LEU  24  -7.560  -2.488  -3.553
  202   3HD1  LEU  24          3HD1      LEU  24  -8.705  -1.731  -4.660
  203   1HD2  LEU  24          1HD2      LEU  24  -6.150   0.468  -2.505
  204   2HD2  LEU  24          2HD2      LEU  24  -7.144  -0.125  -1.175
  205   3HD2  LEU  24          3HD2      LEU  24  -6.249  -1.262  -2.184
  206    H    ILE  25           H        ILE  25  -6.975   4.087  -3.770
  207    HA   ILE  25           HA       ILE  25  -9.254   5.338  -5.160
  208    HB   ILE  25           HB       ILE  25  -8.067   7.532  -4.721
  209   1HG1  ILE  25          1HG1      ILE  25  -6.672   5.930  -2.569
  210   2HG1  ILE  25          2HG1      ILE  25  -5.897   6.433  -4.068
  211   1HG2  ILE  25          1HG2      ILE  25 -10.089   6.594  -3.496
  212   2HG2  ILE  25          2HG2      ILE  25  -8.970   6.170  -2.200
  213   3HG2  ILE  25          3HG2      ILE  25  -9.174   7.858  -2.674
  214   1HD1  ILE  25          1HD1      ILE  25  -7.170   8.432  -2.246
  215   2HD1  ILE  25          2HD1      ILE  25  -5.529   7.847  -1.970
  216   3HD1  ILE  25          3HD1      ILE  25  -5.929   8.676  -3.475
  217    H    HIS  26           H        HIS  26  -5.866   4.503  -5.236
  218    HA   HIS  26           HA       HIS  26  -5.829   4.775  -8.099
  219   1HB   HIS  26          1HB       HIS  26  -4.776   6.895  -6.435
  220   2HB   HIS  26          2HB       HIS  26  -3.504   6.184  -7.424
  221    HD1  HIS  26           HD1      HIS  26  -4.400   5.901 -10.098
  222    HD2  HIS  26           HD2      HIS  26  -6.005   8.911  -7.727
  223    HE1  HIS  26           HE1      HIS  26  -5.358   7.583 -11.704
  224    HE2  HIS  26           HE2      HIS  26  -6.244   9.438 -10.247
  225    H    TYR  27           H        TYR  27  -4.056   3.740  -9.082
  226    HA   TYR  27           HA       TYR  27  -2.245   2.283  -7.287
  227   1HB   TYR  27          1HB       TYR  27  -2.709   0.199  -8.206
  228   2HB   TYR  27          2HB       TYR  27  -4.306   0.936  -8.160
  229    HD1  TYR  27           HD1      TYR  27  -1.421   0.247 -10.403
  230    HD2  TYR  27           HD2      TYR  27  -5.570   1.186 -10.129
  231    HE1  TYR  27           HE1      TYR  27  -1.665  -0.153 -12.821
  232    HE2  TYR  27           HE2      TYR  27  -5.825   0.789 -12.546
  233    HH   TYR  27           HH       TYR  27  -4.156  -0.840 -14.332
  234    H    GLN  28           H        GLN  28  -0.223   1.769  -8.166
  235    HA   GLN  28           HA       GLN  28   0.340   2.846 -10.837
  236   1HB   GLN  28          1HB       GLN  28   2.642   3.288  -9.260
  237   2HB   GLN  28          2HB       GLN  28   1.596   4.486 -10.010
  238   1HG   GLN  28          1HG       GLN  28   0.696   3.329  -7.445
  239   2HG   GLN  28          2HG       GLN  28   2.080   4.420  -7.400
  240   1HE2  GLN  28          2HE2      GLN  28  -0.285   5.033  -6.133
  241   2HE2  GLN  28          1HE2      GLN  28  -1.034   6.367  -6.934
  242    H    GLN  29           H        GLN  29   2.802   2.269 -11.337
  243    HA   GLN  29           HA       GLN  29   3.059  -0.614 -10.800
  244   1HB   GLN  29          1HB       GLN  29   3.057   0.849 -13.227
  245   2HB   GLN  29          2HB       GLN  29   4.692   0.243 -12.995
  246   1HG   GLN  29          1HG       GLN  29   4.028  -1.967 -13.074
  247   2HG   GLN  29          2HG       GLN  29   2.357  -1.587 -12.661
  248   1HE2  GLN  29          2HE2      GLN  29   1.609  -2.783 -14.426
  249   2HE2  GLN  29          1HE2      GLN  29   1.721  -2.187 -16.044
  250    H    ASN  30           H        ASN  30   4.994  -1.456 -10.123
  251    HA   ASN  30           HA       ASN  30   6.766   0.323  -8.767
  252   1HB   ASN  30          1HB       ASN  30   6.086  -2.195  -8.276
  253   2HB   ASN  30          2HB       ASN  30   7.517  -2.524  -9.248
  254   1HD2  ASN  30          2HD2      ASN  30   9.180  -2.940  -8.006
  255   2HD2  ASN  30          1HD2      ASN  30   9.591  -2.127  -6.538
  256    H    GLN  31           H        GLN  31   9.220  -0.060  -9.024
  257    HA   GLN  31           HA       GLN  31   9.861   0.110 -11.895
  258   1HB   GLN  31          1HB       GLN  31  10.882   1.610  -9.514
  259   2HB   GLN  31          2HB       GLN  31  11.927   1.396 -10.912
  260   1HG   GLN  31          1HG       GLN  31  10.249   2.466 -12.328
  261   2HG   GLN  31          2HG       GLN  31   9.206   2.683 -10.923
  262   1HE2  GLN  31          2HE2      GLN  31  11.626   4.031 -12.811
  263   2HE2  GLN  31          1HE2      GLN  31  12.061   5.344 -11.775
  264    H    ALA  32           H        ALA  32  11.349  -1.235 -12.717
  265    HA   ALA  32           HA       ALA  32  12.226  -3.486 -11.300
  266   1HB   ALA  32          1HB       ALA  32  12.750  -2.322 -13.962
  267   2HB   ALA  32          2HB       ALA  32  13.954  -3.458 -13.351
  268   3HB   ALA  32          3HB       ALA  32  12.270  -3.958 -13.510
  269    H    SER  33           H        SER  33  13.173  -2.617  -9.377
  270    HA   SER  33           HA       SER  33  15.932  -2.622  -9.302
  271   1HB   SER  33          1HB       SER  33  16.692  -0.486  -9.508
  272   2HB   SER  33          2HB       SER  33  15.233  -0.284 -10.477
  273    HG   SER  33           HG       SER  33  15.825   1.131  -8.452
  274    H    CYS  34           H        CYS  34  12.941  -1.493  -7.911
  275    HA   CYS  34           HA       CYS  34  14.096  -1.691  -5.218
  276   1HB   CYS  34          1HB       CYS  34  11.668  -0.681  -4.717
  277   2HB   CYS  34          2HB       CYS  34  13.041   0.334  -5.144
  278    H    GLY  35           H        GLY  35  13.311  -3.117  -3.731
  279   1HA   GLY  35          1HA       GLY  35  12.454  -5.160  -3.092
  280   2HA   GLY  35          2HA       GLY  35  10.937  -4.433  -3.598
  281    H    LYS  36           H        LYS  36   9.831  -5.515  -5.080
  282    HA   LYS  36           HA       LYS  36  11.271  -7.063  -7.105
  283   1HB   LYS  36          1HB       LYS  36   9.209  -8.131  -5.192
  284   2HB   LYS  36          2HB       LYS  36   9.483  -8.887  -6.755
  285   1HG   LYS  36          1HG       LYS  36  11.054 -10.094  -5.770
  286   2HG   LYS  36          2HG       LYS  36  12.020  -8.620  -5.679
  287   1HD   LYS  36          1HD       LYS  36  11.950  -9.531  -3.487
  288   2HD   LYS  36          2HD       LYS  36  10.871  -8.134  -3.492
  289   1HE   LYS  36          1HE       LYS  36   9.123  -9.393  -2.937
  290   2HE   LYS  36          2HE       LYS  36   9.454 -10.528  -4.247
  291   1HZ   LYS  36          1HZ       LYS  36  11.071 -11.631  -2.815
  292   2HZ   LYS  36          2HZ       LYS  36  10.720 -10.556  -1.558
  293   3HZ   LYS  36          3HZ       LYS  36   9.534 -11.631  -2.111
  294    H    ARG  37           H        ARG  37   9.759  -7.826  -8.855
  295    HA   ARG  37           HA       ARG  37   8.314  -5.641  -9.885
  296   1HB   ARG  37          1HB       ARG  37   9.233  -8.114 -10.840
  297   2HB   ARG  37          2HB       ARG  37   7.490  -8.151 -11.063
  298   1HG   ARG  37          1HG       ARG  37   7.579  -6.094 -12.339
  299   2HG   ARG  37          2HG       ARG  37   9.318  -5.974 -12.059
  300   1HD   ARG  37          1HD       ARG  37   9.804  -7.521 -13.624
  301   2HD   ARG  37          2HD       ARG  37   8.406  -8.517 -13.219
  302    HE   ARG  37           HE       ARG  37   8.534  -6.399 -15.191
  303   1HH1  ARG  37          1HH1      ARG  37   6.522  -8.507 -13.285
  304   2HH1  ARG  37          2HH1      ARG  37   5.150  -8.358 -14.333
  305   1HH2  ARG  37          1HH2      ARG  37   6.735  -6.197 -16.580
  306   2HH2  ARG  37          2HH2      ARG  37   5.272  -7.044 -16.206
  307    H    ALA  38           H        ALA  38   6.759  -5.020  -8.376
  308    HA   ALA  38           HA       ALA  38   4.418  -6.800  -8.243
  309   1HB   ALA  38          1HB       ALA  38   6.002  -5.874  -6.071
  310   2HB   ALA  38          2HB       ALA  38   4.412  -5.119  -5.964
  311   3HB   ALA  38          3HB       ALA  38   4.553  -6.876  -6.030
  312    H    ILE  39           H        ILE  39   2.767  -5.005  -6.852
  313    HA   ILE  39           HA       ILE  39   2.517  -2.788  -8.778
  314    HB   ILE  39           HB       ILE  39   0.363  -4.540  -7.608
  315   1HG1  ILE  39          1HG1      ILE  39   1.702  -4.984  -9.832
  316   2HG1  ILE  39          2HG1      ILE  39  -0.038  -5.250  -9.769
  317   1HG2  ILE  39          1HG2      ILE  39   0.108  -1.839  -8.903
  318   2HG2  ILE  39          2HG2      ILE  39  -1.223  -2.994  -8.831
  319   3HG2  ILE  39          3HG2      ILE  39  -0.518  -2.368  -7.340
  320   1HD1  ILE  39          1HD1      ILE  39   1.275  -2.748 -10.800
  321   2HD1  ILE  39          2HD1      ILE  39   0.702  -4.080 -11.804
  322   3HD1  ILE  39          3HD1      ILE  39  -0.443  -3.141 -10.847
  323    H    ILE  40           H        ILE  40   1.555  -0.849  -7.989
  324    HA   ILE  40           HA       ILE  40   1.923  -0.497  -5.094
  325    HB   ILE  40           HB       ILE  40   1.695   1.750  -7.076
  326   1HG1  ILE  40          1HG1      ILE  40   3.491   0.485  -7.979
  327   2HG1  ILE  40          2HG1      ILE  40   4.241   1.753  -7.015
  328   1HG2  ILE  40          1HG2      ILE  40   1.536   2.060  -4.551
  329   2HG2  ILE  40          2HG2      ILE  40   3.252   1.656  -4.511
  330   3HG2  ILE  40          3HG2      ILE  40   2.698   3.066  -5.414
  331   1HD1  ILE  40          1HD1      ILE  40   3.929  -0.363  -5.251
  332   2HD1  ILE  40          2HD1      ILE  40   4.436  -1.110  -6.766
  333   3HD1  ILE  40          3HD1      ILE  40   5.420   0.159  -6.035
  334    H    LEU  41           H        LEU  41   0.212  -0.140  -3.841
  335    HA   LEU  41           HA       LEU  41  -2.314   0.654  -5.132
  336   1HB   LEU  41          1HB       LEU  41  -1.705  -1.281  -2.944
  337   2HB   LEU  41          2HB       LEU  41  -3.250  -0.454  -2.935
  338    HG   LEU  41           HG       LEU  41  -2.185  -2.270  -5.094
  339   1HD1  LEU  41          1HD1      LEU  41  -3.175  -3.179  -2.901
  340   2HD1  LEU  41          2HD1      LEU  41  -4.718  -2.603  -3.532
  341   3HD1  LEU  41          3HD1      LEU  41  -3.793  -3.809  -4.427
  342   1HD2  LEU  41          1HD2      LEU  41  -4.455  -0.343  -5.064
  343   2HD2  LEU  41          2HD2      LEU  41  -3.357  -0.774  -6.375
  344   3HD2  LEU  41          3HD2      LEU  41  -4.649  -1.879  -5.908
  345    H    GLU  42           H        GLU  42  -3.222   2.492  -4.503
  346    HA   GLU  42           HA       GLU  42  -2.311   3.711  -1.979
  347   1HB   GLU  42          1HB       GLU  42  -1.449   4.961  -3.875
  348   2HB   GLU  42          2HB       GLU  42  -3.056   5.065  -4.578
  349   1HG   GLU  42          1HG       GLU  42  -3.764   6.359  -2.562
  350   2HG   GLU  42          2HG       GLU  42  -2.072   6.385  -2.064
  351    H    THR  43           H        THR  43  -3.846   4.155  -0.527
  352    HA   THR  43           HA       THR  43  -6.649   3.905  -1.370
  353    HB   THR  43           HB       THR  43  -7.178   3.309   0.883
  354    HG1  THR  43           HG1      THR  43  -5.911   3.720   2.546
  355   1HG2  THR  43          1HG2      THR  43  -4.656   1.972  -0.036
  356   2HG2  THR  43          2HG2      THR  43  -5.542   1.461   1.400
  357   3HG2  THR  43          3HG2      THR  43  -6.318   1.400  -0.182
  358    H    ARG  44           H        ARG  44  -8.220   5.263  -0.109
  359    HA   ARG  44           HA       ARG  44  -7.564   8.003  -0.431
  360   1HB   ARG  44          1HB       ARG  44  -9.819   8.341   0.724
  361   2HB   ARG  44          2HB       ARG  44  -9.820   7.456  -0.795
  362   1HG   ARG  44          1HG       ARG  44 -10.024   5.361   0.365
  363   2HG   ARG  44          2HG       ARG  44  -9.855   6.168   1.926
  364   1HD   ARG  44          1HD       ARG  44 -11.919   7.504   1.284
  365   2HD   ARG  44          2HD       ARG  44 -12.130   6.352  -0.033
  366    HE   ARG  44           HE       ARG  44 -11.831   4.996   2.433
  367   1HH1  ARG  44          1HH1      ARG  44 -14.104   6.892   0.600
  368   2HH1  ARG  44          2HH1      ARG  44 -15.498   6.163   1.326
  369   1HH2  ARG  44          1HH2      ARG  44 -13.659   4.027   3.399
  370   2HH2  ARG  44          2HH2      ARG  44 -15.245   4.535   2.919
  371    H    GLN  45           H        GLN  45  -6.787   5.885   2.005
  372    HA   GLN  45           HA       GLN  45  -6.781   7.967   4.078
  373   1HB   GLN  45          1HB       GLN  45  -7.436   5.240   4.164
  374   2HB   GLN  45          2HB       GLN  45  -5.884   5.368   4.979
  375   1HG   GLN  45          1HG       GLN  45  -7.006   5.940   6.795
  376   2HG   GLN  45          2HG       GLN  45  -7.362   7.475   6.002
  377   1HE2  GLN  45          2HE2      GLN  45  -8.531   4.125   5.791
  378   2HE2  GLN  45          1HE2      GLN  45 -10.210   4.527   5.860
  379    H    HIS  46           H        HIS  46  -4.887   7.497   1.724
  380    HA   HIS  46           HA       HIS  46  -2.672   7.812   1.310
  381   1HB   HIS  46          1HB       HIS  46  -2.599   8.416   4.273
  382   2HB   HIS  46          2HB       HIS  46  -1.241   8.658   3.178
  383    HD1  HIS  46           HD1      HIS  46  -2.427  10.079   0.853
  384    HD2  HIS  46           HD2      HIS  46  -3.604  10.874   4.756
  385    HE1  HIS  46           HE1      HIS  46  -3.420  12.389   0.796
  386    HE2  HIS  46           HE2      HIS  46  -4.210  12.810   3.152
  387    H    ARG  47           H        ARG  47  -3.528   5.232   1.550
  388    HA   ARG  47           HA       ARG  47  -1.444   3.862   3.104
  389   1HB   ARG  47          1HB       ARG  47  -3.920   3.288   3.386
  390   2HB   ARG  47          2HB       ARG  47  -3.823   2.569   1.784
  391   1HG   ARG  47          1HG       ARG  47  -1.854   1.223   2.752
  392   2HG   ARG  47          2HG       ARG  47  -2.509   1.699   4.320
  393   1HD   ARG  47          1HD       ARG  47  -4.738   0.848   2.969
  394   2HD   ARG  47          2HD       ARG  47  -3.492  -0.255   2.385
  395    HE   ARG  47           HE       ARG  47  -4.563  -0.088   5.069
  396   1HH1  ARG  47          1HH1      ARG  47  -2.013  -1.263   3.013
  397   2HH1  ARG  47          2HH1      ARG  47  -1.532  -2.519   4.104
  398   1HH2  ARG  47          1HH2      ARG  47  -3.940  -1.736   6.517
  399   2HH2  ARG  47          2HH2      ARG  47  -2.628  -2.787   6.098
  400    H    LEU  48           H        LEU  48   0.342   3.624   1.903
  401    HA   LEU  48           HA       LEU  48   0.034   2.729  -0.886
  402   1HB   LEU  48          1HB       LEU  48   2.424   4.066   0.381
  403   2HB   LEU  48          2HB       LEU  48   2.237   3.655  -1.314
  404    HG   LEU  48           HG       LEU  48   0.433   5.608   0.104
  405   1HD1  LEU  48          1HD1      LEU  48   3.168   5.936  -0.668
  406   2HD1  LEU  48          2HD1      LEU  48   2.138   6.954  -1.676
  407   3HD1  LEU  48          3HD1      LEU  48   2.072   7.097   0.081
  408   1HD2  LEU  48          1HD2      LEU  48   0.725   4.586  -2.657
  409   2HD2  LEU  48          2HD2      LEU  48  -0.715   5.118  -1.788
  410   3HD2  LEU  48          3HD2      LEU  48   0.392   6.309  -2.472
  411    H    PHE  49           H        PHE  49   0.309   0.611  -1.082
  412    HA   PHE  49           HA       PHE  49   2.575  -0.640   0.304
  413   1HB   PHE  49          1HB       PHE  49  -0.272  -1.633   0.226
  414   2HB   PHE  49          2HB       PHE  49   1.086  -2.697   0.574
  415    HD1  PHE  49           HD1      PHE  49  -0.350   0.563   1.684
  416    HD2  PHE  49           HD2      PHE  49   1.689  -3.019   2.772
  417    HE1  PHE  49           HE1      PHE  49  -0.446   1.235   4.053
  418    HE2  PHE  49           HE2      PHE  49   1.598  -2.355   5.145
  419    HZ   PHE  49           HZ       PHE  49   0.528  -0.225   5.787
  420    H    CYS  50           H        CYS  50   3.065  -2.840  -0.642
  421    HA   CYS  50           HA       CYS  50   2.790  -2.686  -3.565
  422   1HB   CYS  50          1HB       CYS  50   4.968  -3.592  -1.752
  423   2HB   CYS  50          2HB       CYS  50   4.787  -4.438  -3.286
  424    H    ALA  51           H        ALA  51   1.413  -4.063  -4.449
  425    HA   ALA  51           HA       ALA  51   1.003  -6.676  -3.145
  426   1HB   ALA  51          1HB       ALA  51  -0.913  -4.887  -3.238
  427   2HB   ALA  51          2HB       ALA  51  -1.100  -5.482  -4.887
  428   3HB   ALA  51          3HB       ALA  51  -1.259  -6.593  -3.527
  429    H    ASP  52           H        ASP  52   1.150  -8.480  -4.374
  430    HA   ASP  52           HA       ASP  52   2.384  -8.265  -6.944
  431   1HB   ASP  52          1HB       ASP  52   2.724 -10.089  -5.136
  432   2HB   ASP  52          2HB       ASP  52   1.271 -10.819  -5.814
  433    HA   PRO  53           HA       PRO  53  -1.236  -7.918  -9.478
  434   1HB   PRO  53          1HB       PRO  53   0.487  -9.420 -11.392
  435   2HB   PRO  53          2HB       PRO  53  -0.411  -7.917 -11.628
  436   1HG   PRO  53          1HG       PRO  53   2.231  -7.881 -11.302
  437   2HG   PRO  53          2HG       PRO  53   1.205  -6.630 -10.579
  438   1HD   PRO  53          1HD       PRO  53   2.556  -8.955  -9.288
  439   2HD   PRO  53          2HD       PRO  53   2.254  -7.326  -8.650
  440    H    LYS  54           H        LYS  54   0.386 -10.885  -8.711
  441    HA   LYS  54           HA       LYS  54  -1.449 -12.650  -9.988
  442   1HB   LYS  54          1HB       LYS  54  -0.274 -14.397  -8.961
  443   2HB   LYS  54          2HB       LYS  54   0.942 -13.151  -9.208
  444   1HG   LYS  54          1HG       LYS  54   0.877 -12.524  -6.911
  445   2HG   LYS  54          2HG       LYS  54  -0.530 -13.546  -6.616
  446   1HD   LYS  54          1HD       LYS  54   1.193 -15.372  -7.606
  447   2HD   LYS  54          2HD       LYS  54   2.325 -14.258  -6.833
  448   1HE   LYS  54          1HE       LYS  54   0.048 -14.777  -5.135
  449   2HE   LYS  54          2HE       LYS  54   0.837 -16.280  -5.611
  450   1HZ   LYS  54          1HZ       LYS  54   2.933 -14.722  -4.978
  451   2HZ   LYS  54          2HZ       LYS  54   1.776 -14.180  -3.868
  452   3HZ   LYS  54          3HZ       LYS  54   2.200 -15.816  -3.916
  453    H    GLU  55           H        GLU  55  -1.510 -10.851  -7.066
  454    HA   GLU  55           HA       GLU  55  -3.290 -12.500  -5.590
  455   1HB   GLU  55          1HB       GLU  55  -2.750  -9.533  -5.379
  456   2HB   GLU  55          2HB       GLU  55  -3.650 -10.479  -4.202
  457   1HG   GLU  55          1HG       GLU  55  -1.651 -11.837  -3.783
  458   2HG   GLU  55          2HG       GLU  55  -0.754 -10.849  -4.936
  459    H    GLN  56           H        GLN  56  -5.437 -12.704  -5.679
  460    HA   GLN  56           HA       GLN  56  -6.923 -11.838  -7.864
  461   1HB   GLN  56          1HB       GLN  56  -7.493 -13.760  -6.381
  462   2HB   GLN  56          2HB       GLN  56  -8.009 -12.614  -5.153
  463   1HG   GLN  56          1HG       GLN  56  -9.207 -12.868  -7.902
  464   2HG   GLN  56          2HG       GLN  56  -9.884 -13.552  -6.425
  465   1HE2  GLN  56          2HE2      GLN  56  -9.630 -10.806  -8.407
  466   2HE2  GLN  56          1HE2      GLN  56 -10.517  -9.708  -7.412
  467    H    TRP  57           H        TRP  57  -7.103 -10.633  -4.507
  468    HA   TRP  57           HA       TRP  57  -8.955  -8.622  -4.919
  469   1HB   TRP  57          1HB       TRP  57  -8.299  -7.724  -2.843
  470   2HB   TRP  57          2HB       TRP  57  -7.961  -9.447  -2.718
  471    HD1  TRP  57           HD1      TRP  57  -5.281 -10.134  -3.091
  472    HE1  TRP  57           HE1      TRP  57  -3.181  -8.855  -2.335
  473    HE3  TRP  57           HE3      TRP  57  -7.350  -5.503  -2.413
  474    HZ2  TRP  57           HZ2      TRP  57  -2.489  -6.227  -1.553
  475    HZ3  TRP  57           HZ3      TRP  57  -5.900  -3.658  -1.659
  476    HH2  TRP  57           HH2      TRP  57  -3.519  -4.015  -1.237
  477    H    VAL  58           H        VAL  58  -5.758  -8.781  -6.102
  478    HA   VAL  58           HA       VAL  58  -5.462  -5.904  -6.367
  479    HB   VAL  58           HB       VAL  58  -3.721  -8.212  -7.224
  480   1HG1  VAL  58          1HG1      VAL  58  -3.673  -5.385  -8.053
  481   2HG1  VAL  58          2HG1      VAL  58  -2.126  -6.065  -7.547
  482   3HG1  VAL  58          3HG1      VAL  58  -3.033  -6.818  -8.859
  483   1HG2  VAL  58          1HG2      VAL  58  -3.947  -7.312  -4.777
  484   2HG2  VAL  58          2HG2      VAL  58  -2.360  -7.694  -5.444
  485   3HG2  VAL  58          3HG2      VAL  58  -2.906  -6.018  -5.374
  486    H    LYS  59           H        LYS  59  -6.161  -8.708  -8.382
  487    HA   LYS  59           HA       LYS  59  -6.062  -7.366 -10.875
  488   1HB   LYS  59          1HB       LYS  59  -7.531  -9.863 -10.009
  489   2HB   LYS  59          2HB       LYS  59  -7.437  -9.312 -11.675
  490   1HG   LYS  59          1HG       LYS  59  -5.202  -9.824 -11.865
  491   2HG   LYS  59          2HG       LYS  59  -4.932  -9.754 -10.122
  492   1HD   LYS  59          1HD       LYS  59  -6.114 -11.815  -9.798
  493   2HD   LYS  59          2HD       LYS  59  -6.603 -11.855 -11.490
  494   1HE   LYS  59          1HE       LYS  59  -4.263 -12.074 -12.164
  495   2HE   LYS  59          2HE       LYS  59  -3.768 -12.023 -10.472
  496   1HZ   LYS  59          1HZ       LYS  59  -5.391 -14.026 -10.281
  497   2HZ   LYS  59          2HZ       LYS  59  -5.131 -14.168 -11.945
  498   3HZ   LYS  59          3HZ       LYS  59  -3.826 -14.263 -10.874
  499    H    ASP  60           H        ASP  60  -8.765  -8.232  -8.734
  500    HA   ASP  60           HA       ASP  60 -10.724  -6.897 -10.311
  501   1HB   ASP  60          1HB       ASP  60 -11.318  -8.734  -8.791
  502   2HB   ASP  60          2HB       ASP  60 -10.827  -7.758  -7.410
  503    H    ALA  61           H        ALA  61  -8.884  -6.045  -7.398
  504    HA   ALA  61           HA       ALA  61 -10.117  -3.673  -6.725
  505   1HB   ALA  61          1HB       ALA  61  -7.280  -4.601  -6.491
  506   2HB   ALA  61          2HB       ALA  61  -7.741  -2.979  -5.978
  507   3HB   ALA  61          3HB       ALA  61  -8.493  -4.388  -5.229
  508    H    MET  62           H        MET  62  -7.639  -4.260  -9.181
  509    HA   MET  62           HA       MET  62  -7.390  -1.509  -9.909
  510   1HB   MET  62          1HB       MET  62  -6.415  -4.098 -11.056
  511   2HB   MET  62          2HB       MET  62  -6.309  -2.630 -12.018
  512   1HG   MET  62          1HG       MET  62  -5.131  -1.622  -9.972
  513   2HG   MET  62          2HG       MET  62  -4.938  -3.293  -9.445
  514   1HE   MET  62          1HE       MET  62  -4.409  -5.032 -11.696
  515   2HE   MET  62          2HE       MET  62  -4.876  -3.964 -13.019
  516   3HE   MET  62          3HE       MET  62  -3.224  -4.572 -12.918
  517    H    GLN  63           H        GLN  63  -8.652  -4.281 -11.773
  518    HA   GLN  63           HA       GLN  63  -9.811  -2.935 -13.844
  519   1HB   GLN  63          1HB       GLN  63  -9.852  -5.526 -12.981
  520   2HB   GLN  63          2HB       GLN  63 -11.531  -5.060 -12.740
  521   1HG   GLN  63          1HG       GLN  63 -11.150  -4.105 -15.216
  522   2HG   GLN  63          2HG       GLN  63 -10.005  -5.445 -15.231
  523   1HE2  GLN  63          2HE2      GLN  63 -11.530  -6.167 -16.932
  524   2HE2  GLN  63          1HE2      GLN  63 -12.894  -7.108 -16.444
  525    H    HIS  64           H        HIS  64 -10.801  -3.023 -10.533
  526    HA   HIS  64           HA       HIS  64 -13.451  -2.044 -10.948
  527   1HB   HIS  64          1HB       HIS  64 -12.625  -3.349  -8.926
  528   2HB   HIS  64          2HB       HIS  64 -11.857  -1.856  -8.398
  529    HD1  HIS  64           HD1      HIS  64 -15.308  -3.216  -9.171
  530    HD2  HIS  64           HD2      HIS  64 -13.490  -0.160  -7.024
  531    HE1  HIS  64           HE1      HIS  64 -17.153  -2.130  -7.854
  532    HE2  HIS  64           HE2      HIS  64 -16.014  -0.341  -6.495
  533    H    LEU  65           H        LEU  65 -10.517  -0.552  -9.585
  534    HA   LEU  65           HA       LEU  65 -11.376   2.009  -9.228
  535   1HB   LEU  65          1HB       LEU  65  -8.717   1.015 -10.237
  536   2HB   LEU  65          2HB       LEU  65  -9.007   2.695  -9.833
  537    HG   LEU  65           HG       LEU  65  -9.182   0.358  -7.931
  538   1HD1  LEU  65          1HD1      LEU  65  -6.906   1.284  -8.776
  539   2HD1  LEU  65          2HD1      LEU  65  -7.274   2.645  -7.717
  540   3HD1  LEU  65          3HD1      LEU  65  -7.155   1.016  -7.050
  541   1HD2  LEU  65          1HD2      LEU  65 -10.466   2.858  -7.808
  542   2HD2  LEU  65          2HD2      LEU  65 -10.324   1.647  -6.533
  543   3HD2  LEU  65          3HD2      LEU  65  -9.118   2.927  -6.674
  544    H    ASP  66           H        ASP  66 -10.450   0.478 -12.262
  545    HA   ASP  66           HA       ASP  66 -10.248   2.590 -13.978
  546   1HB   ASP  66          1HB       ASP  66 -11.303  -0.187 -14.281
  547   2HB   ASP  66          2HB       ASP  66 -11.547   0.943 -15.610
  548    H    ARG  67           H        ARG  67 -13.293   0.914 -13.177
  549    HA   ARG  67           HA       ARG  67 -14.808   3.128 -14.319
  550   1HB   ARG  67          1HB       ARG  67 -15.786   0.526 -13.132
  551   2HB   ARG  67          2HB       ARG  67 -16.766   1.697 -14.002
  552   1HG   ARG  67          1HG       ARG  67 -16.300   0.661 -15.897
  553   2HG   ARG  67          2HG       ARG  67 -14.587   1.026 -15.670
  554   1HD   ARG  67          1HD       ARG  67 -14.178  -1.135 -15.379
  555   2HD   ARG  67          2HD       ARG  67 -15.215  -1.126 -13.952
  556    HE   ARG  67           HE       ARG  67 -16.821  -2.208 -15.167
  557   1HH1  ARG  67          1HH1      ARG  67 -14.510  -0.798 -17.357
  558   2HH1  ARG  67          2HH1      ARG  67 -15.188  -1.549 -18.762
  559   1HH2  ARG  67          1HH2      ARG  67 -17.723  -3.202 -17.010
  560   2HH2  ARG  67          2HH2      ARG  67 -17.015  -2.916 -18.565
  561    H    GLN  68           H        GLN  68 -13.654   4.288 -12.355
  562    HA   GLN  68           HA       GLN  68 -15.727   4.576 -10.319
  563   1HB   GLN  68          1HB       GLN  68 -13.329   3.210  -9.802
  564   2HB   GLN  68          2HB       GLN  68 -13.127   4.801  -9.077
  565   1HG   GLN  68          1HG       GLN  68 -15.137   4.509  -7.778
  566   2HG   GLN  68          2HG       GLN  68 -15.458   2.965  -8.569
  567   1HE2  GLN  68          2HE2      GLN  68 -13.096   1.714  -8.548
  568   2HE2  GLN  68          1HE2      GLN  68 -12.546   1.452  -6.931
  569    H    ALA  69           H        ALA  69 -12.408   5.786 -10.802
  570    HA   ALA  69           HA       ALA  69 -12.838   8.381  -9.978
  571   1HB   ALA  69          1HB       ALA  69 -10.737   6.951 -11.153
  572   2HB   ALA  69          2HB       ALA  69 -10.983   8.370 -12.173
  573   3HB   ALA  69          3HB       ALA  69 -10.675   8.566 -10.447
  574    H    ALA  70           H        ALA  70 -13.339   6.973 -13.177
  575    HA   ALA  70           HA       ALA  70 -14.279   9.540 -14.207
  576   1HB   ALA  70          1HB       ALA  70 -13.752   6.901 -15.559
  577   2HB   ALA  70          2HB       ALA  70 -14.409   8.317 -16.382
  578   3HB   ALA  70          3HB       ALA  70 -12.795   8.378 -15.671
  579    H    ALA  71           H        ALA  71 -15.463   6.456 -13.143
  580    HA   ALA  71           HA       ALA  71 -17.954   6.392 -14.384
  581   1HB   ALA  71          1HB       ALA  71 -16.641   4.764 -12.662
  582   2HB   ALA  71          2HB       ALA  71 -17.904   5.416 -11.617
  583   3HB   ALA  71          3HB       ALA  71 -18.338   4.581 -13.109
  584    H    LEU  72           H        LEU  72 -16.757   8.550 -12.073
  585    HA   LEU  72           HA       LEU  72 -19.483   9.486 -11.468
  586   1HB   LEU  72          1HB       LEU  72 -17.520   8.673  -9.670
  587   2HB   LEU  72          2HB       LEU  72 -17.467  10.421  -9.613
  588    HG   LEU  72           HG       LEU  72 -20.172   9.592  -9.511
  589   1HD1  LEU  72          1HD1      LEU  72 -18.355   7.807  -8.159
  590   2HD1  LEU  72          2HD1      LEU  72 -19.453   8.596  -7.028
  591   3HD1  LEU  72          3HD1      LEU  72 -20.099   7.676  -8.387
  592   1HD2  LEU  72          1HD2      LEU  72 -18.272  11.004  -7.683
  593   2HD2  LEU  72          2HD2      LEU  72 -19.597  11.675  -8.634
  594   3HD2  LEU  72          3HD2      LEU  72 -19.943  10.688  -7.214
  595    H    THR  73           H        THR  73 -16.288  10.292 -12.552
  596    HA   THR  73           HA       THR  73 -17.230  13.003 -13.176
  597    HB   THR  73           HB       THR  73 -14.713  13.636 -12.750
  598    HG1  THR  73           HG1      THR  73 -15.088  11.314 -11.183
  599   1HG2  THR  73          1HG2      THR  73 -17.000  13.545 -10.931
  600   2HG2  THR  73          2HG2      THR  73 -15.430  13.658 -10.137
  601   3HG2  THR  73          3HG2      THR  73 -15.906  14.872 -11.326
  602    H    ARG  74           H        ARG  74 -17.594  12.184 -15.300
  603    HA   ARG  74           HA       ARG  74 -15.914  10.819 -16.953
  604   1HB   ARG  74          1HB       ARG  74 -18.257  12.176 -17.296
  605   2HB   ARG  74          2HB       ARG  74 -17.153  13.155 -18.251
  606   1HG   ARG  74          1HG       ARG  74 -17.219  11.689 -19.904
  607   2HG   ARG  74          2HG       ARG  74 -16.703  10.392 -18.826
  608   1HD   ARG  74          1HD       ARG  74 -18.731   9.562 -19.439
  609   2HD   ARG  74          2HD       ARG  74 -19.234  10.532 -18.057
  610    HE   ARG  74           HE       ARG  74 -19.322  12.085 -20.412
  611   1HH1  ARG  74          1HH1      ARG  74 -20.991   9.489 -18.800
  612   2HH1  ARG  74          2HH1      ARG  74 -22.524   9.853 -19.521
  613   1HH2  ARG  74          1HH2      ARG  74 -21.335  12.573 -21.367
  614   2HH2  ARG  74          2HH2      ARG  74 -22.718  11.605 -20.982
  615    H    ASN  75           H        ASN  75 -13.742  11.218 -16.699
  616    HA   ASN  75           HA       ASN  75 -12.792  13.756 -17.835
  617   1HB   ASN  75          1HB       ASN  75 -12.595  13.230 -15.164
  618   2HB   ASN  75          2HB       ASN  75 -11.062  12.590 -15.753
  619   1HD2  ASN  75          2HD2      ASN  75  -9.920  14.202 -14.675
  620   2HD2  ASN  75          1HD2      ASN  75  -9.876  15.831 -15.250
  621    H    GLY  76           H        GLY  76 -12.153  12.957 -19.779
  622   1HA   GLY  76          1HA       GLY  76 -10.341  10.633 -19.767
  623   2HA   GLY  76          2HA       GLY  76 -11.269  11.182 -21.154
  Start of MODEL   14
    1   2H    MET   0          2H        MET   0  22.441   0.974   5.597
    2   3H    MET   0          3H        MET   0  22.221   1.602   4.014
    3   1H    MET   0          1H        MET   0  20.858   1.192   4.976
    4    HA   MET   0           HA       MET   0  21.456  -0.398   3.197
    5   1HB   MET   0          1HB       MET   0  23.909  -0.141   3.599
    6   2HB   MET   0          2HB       MET   0  23.710  -0.989   5.128
    7   1HG   MET   0          1HG       MET   0  22.562  -2.494   2.957
    8   2HG   MET   0          2HG       MET   0  24.250  -2.098   2.636
    9   1HE   MET   0          1HE       MET   0  23.931  -4.884   2.558
   10   2HE   MET   0          2HE       MET   0  25.579  -4.370   2.919
   11   3HE   MET   0          3HE       MET   0  24.837  -5.673   3.849
   12    H    GLN   1           H        GLN   1  20.511  -2.418   3.440
   13    HA   GLN   1           HA       GLN   1  19.469  -2.975   6.133
   14   1HB   GLN   1          1HB       GLN   1  18.386  -3.556   3.383
   15   2HB   GLN   1          2HB       GLN   1  17.767  -4.372   4.813
   16   1HG   GLN   1          1HG       GLN   1  17.888  -1.484   5.122
   17   2HG   GLN   1          2HG       GLN   1  16.864  -1.995   3.783
   18   1HE2  GLN   1          2HE2      GLN   1  15.274  -0.938   5.279
   19   2HE2  GLN   1          1HE2      GLN   1  14.498  -1.952   6.441
   20    H    HIS   2           H        HIS   2  20.609  -4.640   3.197
   21    HA   HIS   2           HA       HIS   2  22.401  -6.339   4.394
   22   1HB   HIS   2          1HB       HIS   2  20.676  -7.315   5.735
   23   2HB   HIS   2          2HB       HIS   2  19.614  -7.500   4.342
   24    HD1  HIS   2           HD1      HIS   2  23.196  -8.650   4.958
   25    HD2  HIS   2           HD2      HIS   2  19.490 -10.141   3.814
   26    HE1  HIS   2           HE1      HIS   2  23.575 -11.087   4.466
   27    HE2  HIS   2           HE2      HIS   2  21.301 -11.987   3.858
   28    H    HIS   3           H        HIS   3  19.702  -6.527   2.079
   29    HA   HIS   3           HA       HIS   3  21.370  -7.958   0.181
   30   1HB   HIS   3          1HB       HIS   3  18.552  -6.964  -0.253
   31   2HB   HIS   3          2HB       HIS   3  19.390  -8.246  -1.124
   32    HD1  HIS   3           HD1      HIS   3  19.209 -10.576  -0.201
   33    HD2  HIS   3           HD2      HIS   3  17.797  -7.692   2.437
   34    HE1  HIS   3           HE1      HIS   3  18.117 -11.852   1.671
   35    HE2  HIS   3           HE2      HIS   3  17.213 -10.086   3.222
   36    H    GLY   4           H        GLY   4  22.847  -6.708  -0.802
   37   1HA   GLY   4          1HA       GLY   4  23.775  -4.947  -1.961
   38   2HA   GLY   4          2HA       GLY   4  22.265  -4.994  -2.856
   39    H    VAL   5           H        VAL   5  22.983  -2.631  -2.979
   40    HA   VAL   5           HA       VAL   5  22.054  -1.141  -0.619
   41    HB   VAL   5           HB       VAL   5  24.231  -0.414  -1.211
   42   1HG1  VAL   5          1HG1      VAL   5  23.216  -0.650  -3.991
   43   2HG1  VAL   5          2HG1      VAL   5  24.455   0.560  -3.661
   44   3HG1  VAL   5          3HG1      VAL   5  24.765  -1.139  -3.306
   45   1HG2  VAL   5          1HG2      VAL   5  22.069   1.298  -1.214
   46   2HG2  VAL   5          2HG2      VAL   5  23.764   1.764  -1.065
   47   3HG2  VAL   5          3HG2      VAL   5  22.980   1.783  -2.645
   48    H    THR   6           H        THR   6  20.018  -0.482  -0.705
   49    HA   THR   6           HA       THR   6  18.802   0.046  -3.327
   50    HB   THR   6           HB       THR   6  16.765   0.100  -1.446
   51    HG1  THR   6           HG1      THR   6  17.629  -0.871   0.214
   52   1HG2  THR   6          1HG2      THR   6  17.298  -1.295  -3.725
   53   2HG2  THR   6          2HG2      THR   6  17.280  -2.566  -2.503
   54   3HG2  THR   6          3HG2      THR   6  15.879  -1.512  -2.700
   55    H    LYS   7           H        LYS   7  16.943   1.739  -3.125
   56    HA   LYS   7           HA       LYS   7  17.012   3.825  -1.308
   57   1HB   LYS   7          1HB       LYS   7  19.346   4.089  -2.260
   58   2HB   LYS   7          2HB       LYS   7  18.590   4.529  -3.785
   59   1HG   LYS   7          1HG       LYS   7  17.365   6.329  -2.433
   60   2HG   LYS   7          2HG       LYS   7  18.569   6.011  -1.183
   61   1HD   LYS   7          1HD       LYS   7  19.815   7.533  -2.257
   62   2HD   LYS   7          2HD       LYS   7  20.111   6.251  -3.432
   63   1HE   LYS   7          1HE       LYS   7  17.602   7.535  -3.979
   64   2HE   LYS   7          2HE       LYS   7  18.885   8.740  -3.871
   65   1HZ   LYS   7          1HZ       LYS   7  20.056   6.859  -5.362
   66   2HZ   LYS   7          2HZ       LYS   7  18.447   6.674  -5.853
   67   3HZ   LYS   7          3HZ       LYS   7  19.211   8.176  -6.003
   68    H    CYS   8           H        CYS   8  15.089   2.432  -2.666
   69    HA   CYS   8           HA       CYS   8  14.022   4.331  -4.635
   70   1HB   CYS   8          1HB       CYS   8  13.934   1.428  -4.364
   71   2HB   CYS   8          2HB       CYS   8  12.339   2.128  -4.626
   72    H    ASN   9           H        ASN   9  12.232   5.468  -4.237
   73    HA   ASN   9           HA       ASN   9  11.274   6.186  -1.860
   74   1HB   ASN   9          1HB       ASN   9   8.983   6.471  -2.992
   75   2HB   ASN   9          2HB       ASN   9  10.358   7.291  -3.724
   76   1HD2  ASN   9          2HD2      ASN   9  11.168   6.560  -5.680
   77   2HD2  ASN   9          1HD2      ASN   9  10.286   5.478  -6.698
   78    H    ILE  10           H        ILE  10   9.949   3.423  -3.672
   79    HA   ILE  10           HA       ILE  10   9.056   2.283  -1.110
   80    HB   ILE  10           HB       ILE  10   7.145   3.274  -2.424
   81   1HG1  ILE  10          1HG1      ILE  10   6.708   0.327  -2.265
   82   2HG1  ILE  10          2HG1      ILE  10   7.202   1.168  -0.799
   83   1HG2  ILE  10          1HG2      ILE  10   8.146   2.491  -4.637
   84   2HG2  ILE  10          2HG2      ILE  10   7.479   0.907  -4.241
   85   3HG2  ILE  10          3HG2      ILE  10   6.406   2.294  -4.424
   86   1HD1  ILE  10          1HD1      ILE  10   4.868   2.061  -2.450
   87   2HD1  ILE  10          2HD1      ILE  10   4.725   0.865  -1.162
   88   3HD1  ILE  10          3HD1      ILE  10   5.276   2.498  -0.790
   89    H    THR  11           H        THR  11  10.071   0.423  -0.787
   90    HA   THR  11           HA       THR  11  10.926  -1.151  -3.118
   91    HB   THR  11           HB       THR  11  12.644  -0.379  -1.437
   92    HG1  THR  11           HG1      THR  11  12.323  -3.176  -1.766
   93   1HG2  THR  11          1HG2      THR  11  11.114  -0.910   0.553
   94   2HG2  THR  11          2HG2      THR  11  11.658  -2.573   0.334
   95   3HG2  THR  11          3HG2      THR  11  12.830  -1.300   0.678
   96    H    CYS  12           H        CYS  12   9.202  -2.418  -3.601
   97    HA   CYS  12           HA       CYS  12   7.475  -3.622  -1.737
   98   1HB   CYS  12          1HB       CYS  12   8.112  -4.484  -4.567
   99   2HB   CYS  12          2HB       CYS  12   6.726  -5.018  -3.623
  100    H    SER  13           H        SER  13   9.107  -4.414  -0.203
  101    HA   SER  13           HA       SER  13  10.780  -6.619  -0.925
  102   1HB   SER  13          1HB       SER  13  10.631  -6.745   1.799
  103   2HB   SER  13          2HB       SER  13  11.744  -5.705   0.910
  104    HG   SER  13           HG       SER  13   9.775  -4.995   2.549
  105    H    LYS  14           H        LYS  14   7.801  -6.311   1.002
  106    HA   LYS  14           HA       LYS  14   7.343  -9.191   0.566
  107   1HB   LYS  14          1HB       LYS  14   6.910  -7.462   2.967
  108   2HB   LYS  14          2HB       LYS  14   5.834  -8.827   2.699
  109   1HG   LYS  14          1HG       LYS  14   7.715  -9.360   4.192
  110   2HG   LYS  14          2HG       LYS  14   7.689 -10.361   2.736
  111   1HD   LYS  14          1HD       LYS  14   9.476  -9.159   1.764
  112   2HD   LYS  14          2HD       LYS  14   9.342  -7.857   2.947
  113   1HE   LYS  14          1HE       LYS  14  11.264  -9.483   3.259
  114   2HE   LYS  14          2HE       LYS  14  10.244  -9.186   4.666
  115   1HZ   LYS  14          1HZ       LYS  14   9.595 -11.439   2.901
  116   2HZ   LYS  14          2HZ       LYS  14  10.889 -11.602   3.978
  117   3HZ   LYS  14          3HZ       LYS  14   9.338 -11.267   4.564
  118    H    MET  15           H        MET  15   4.805  -9.535   1.209
  119    HA   MET  15           HA       MET  15   3.319  -7.673  -0.526
  120   1HB   MET  15          1HB       MET  15   3.019 -10.660  -0.203
  121   2HB   MET  15          2HB       MET  15   1.841  -9.654  -1.033
  122   1HG   MET  15          1HG       MET  15   4.681 -10.218  -1.817
  123   2HG   MET  15          2HG       MET  15   3.203 -10.606  -2.698
  124   1HE   MET  15          1HE       MET  15   6.140  -8.454  -2.498
  125   2HE   MET  15          2HE       MET  15   5.746  -9.116  -4.084
  126   3HE   MET  15          3HE       MET  15   5.799  -7.369  -3.847
  127    H    THR  16           H        THR  16   1.538  -6.749   0.285
  128    HA   THR  16           HA       THR  16   0.919  -7.060   3.051
  129    HB   THR  16           HB       THR  16   0.714  -4.943   1.613
  130    HG1  THR  16           HG1      THR  16  -0.453  -5.658   3.790
  131   1HG2  THR  16          1HG2      THR  16  -1.880  -6.281   0.898
  132   2HG2  THR  16          2HG2      THR  16  -1.581  -4.549   0.744
  133   3HG2  THR  16          3HG2      THR  16  -0.631  -5.696  -0.200
  134    H    SER  17           H        SER  17  -1.771  -6.916   3.295
  135    HA   SER  17           HA       SER  17  -2.622  -9.578   2.383
  136   1HB   SER  17          1HB       SER  17  -3.816  -7.957   4.637
  137   2HB   SER  17          2HB       SER  17  -4.071  -9.668   4.293
  138    HG   SER  17           HG       SER  17  -1.722  -8.403   5.236
  139    H    LYS  18           H        LYS  18  -5.013  -9.820   2.040
  140    HA   LYS  18           HA       LYS  18  -5.882  -8.170  -0.031
  141   1HB   LYS  18          1HB       LYS  18  -6.661 -10.522   0.524
  142   2HB   LYS  18          2HB       LYS  18  -7.707  -9.797   1.737
  143   1HG   LYS  18          1HG       LYS  18  -8.206  -8.367  -0.605
  144   2HG   LYS  18          2HG       LYS  18  -8.095 -10.058  -1.100
  145   1HD   LYS  18          1HD       LYS  18  -9.683  -9.405   1.329
  146   2HD   LYS  18          2HD       LYS  18 -10.369  -9.008  -0.249
  147   1HE   LYS  18          1HE       LYS  18 -10.944 -11.289   0.719
  148   2HE   LYS  18          2HE       LYS  18 -10.355 -11.249  -0.942
  149   1HZ   LYS  18          1HZ       LYS  18  -8.627 -11.807   1.405
  150   2HZ   LYS  18          2HZ       LYS  18  -9.352 -13.012   0.466
  151   3HZ   LYS  18          3HZ       LYS  18  -8.217 -11.967  -0.229
  152    H    ILE  19           H        ILE  19  -7.053  -6.343  -0.146
  153    HA   ILE  19           HA       ILE  19  -8.274  -5.303   2.320
  154    HB   ILE  19           HB       ILE  19  -6.957  -3.413   0.412
  155   1HG1  ILE  19          1HG1      ILE  19  -5.532  -4.688   2.753
  156   2HG1  ILE  19          2HG1      ILE  19  -5.282  -5.172   1.077
  157   1HG2  ILE  19          1HG2      ILE  19  -7.719  -3.373   3.317
  158   2HG2  ILE  19          2HG2      ILE  19  -6.682  -2.146   2.591
  159   3HG2  ILE  19          3HG2      ILE  19  -8.332  -2.362   2.009
  160   1HD1  ILE  19          1HD1      ILE  19  -4.715  -2.692   0.682
  161   2HD1  ILE  19          2HD1      ILE  19  -4.525  -2.624   2.435
  162   3HD1  ILE  19          3HD1      ILE  19  -3.529  -3.725   1.481
  163    HA   PRO  20           HA       PRO  20 -11.918  -4.724  -0.091
  164   1HB   PRO  20          1HB       PRO  20 -12.264  -2.232   1.480
  165   2HB   PRO  20          2HB       PRO  20 -13.359  -3.599   1.289
  166   1HG   PRO  20          1HG       PRO  20 -12.004  -3.214   3.552
  167   2HG   PRO  20          2HG       PRO  20 -12.297  -4.836   2.910
  168   1HD   PRO  20          1HD       PRO  20  -9.801  -3.202   2.859
  169   2HD   PRO  20          2HD       PRO  20  -9.998  -4.955   3.059
  170    H    VAL  21           H        VAL  21 -12.368  -3.767  -1.989
  171    HA   VAL  21           HA       VAL  21 -10.561  -1.877  -3.107
  172    HB   VAL  21           HB       VAL  21 -13.216  -2.204  -4.385
  173   1HG1  VAL  21          1HG1      VAL  21 -10.344  -2.189  -5.259
  174   2HG1  VAL  21          2HG1      VAL  21 -11.648  -2.661  -6.347
  175   3HG1  VAL  21          3HG1      VAL  21 -11.625  -1.041  -5.652
  176   1HG2  VAL  21          1HG2      VAL  21 -11.390  -4.487  -3.776
  177   2HG2  VAL  21          2HG2      VAL  21 -13.153  -4.416  -3.741
  178   3HG2  VAL  21          3HG2      VAL  21 -12.303  -4.467  -5.285
  179    H    ALA  22           H        ALA  22 -13.498  -1.611  -1.330
  180    HA   ALA  22           HA       ALA  22 -14.342   0.930  -2.228
  181   1HB   ALA  22          1HB       ALA  22 -14.877  -0.663   0.254
  182   2HB   ALA  22          2HB       ALA  22 -15.516   0.968   0.056
  183   3HB   ALA  22          3HB       ALA  22 -15.963  -0.298  -1.087
  184    H    LEU  23           H        LEU  23 -11.600   0.040  -0.535
  185    HA   LEU  23           HA       LEU  23 -11.394   2.635   0.828
  186   1HB   LEU  23          1HB       LEU  23  -9.627   0.210   1.141
  187   2HB   LEU  23          2HB       LEU  23  -9.598   1.662   2.124
  188    HG   LEU  23           HG       LEU  23 -11.668  -0.513   2.079
  189   1HD1  LEU  23          1HD1      LEU  23  -9.476  -0.265   3.595
  190   2HD1  LEU  23          2HD1      LEU  23 -10.607   0.682   4.560
  191   3HD1  LEU  23          3HD1      LEU  23 -10.972  -1.001   4.172
  192   1HD2  LEU  23          1HD2      LEU  23 -11.931   2.283   3.153
  193   2HD2  LEU  23          2HD2      LEU  23 -12.982   1.459   2.002
  194   3HD2  LEU  23          3HD2      LEU  23 -12.941   0.937   3.686
  195    H    LEU  24           H        LEU  24 -10.254   0.851  -1.854
  196    HA   LEU  24           HA       LEU  24  -7.756   2.244  -2.153
  197   1HB   LEU  24          1HB       LEU  24  -9.298   0.593  -4.156
  198   2HB   LEU  24          2HB       LEU  24  -7.639   1.127  -4.329
  199    HG   LEU  24           HG       LEU  24  -8.741  -0.932  -2.432
  200   1HD1  LEU  24          1HD1      LEU  24  -6.812  -0.910  -4.718
  201   2HD1  LEU  24          2HD1      LEU  24  -6.721  -2.161  -3.477
  202   3HD1  LEU  24          3HD1      LEU  24  -8.193  -1.968  -4.429
  203   1HD2  LEU  24          1HD2      LEU  24  -7.172   0.687  -1.291
  204   2HD2  LEU  24          2HD2      LEU  24  -6.688  -1.009  -1.266
  205   3HD2  LEU  24          3HD2      LEU  24  -5.920   0.111  -2.392
  206    H    ILE  25           H        ILE  25  -7.246   3.803  -3.727
  207    HA   ILE  25           HA       ILE  25  -9.566   5.204  -4.884
  208    HB   ILE  25           HB       ILE  25  -8.358   7.336  -4.549
  209   1HG1  ILE  25          1HG1      ILE  25  -6.529   5.842  -2.676
  210   2HG1  ILE  25          2HG1      ILE  25  -6.092   6.132  -4.358
  211   1HG2  ILE  25          1HG2      ILE  25 -10.073   6.544  -2.963
  212   2HG2  ILE  25          2HG2      ILE  25  -8.800   5.809  -1.988
  213   3HG2  ILE  25          3HG2      ILE  25  -8.853   7.560  -2.196
  214   1HD1  ILE  25          1HD1      ILE  25  -6.968   8.472  -2.783
  215   2HD1  ILE  25          2HD1      ILE  25  -5.401   7.767  -2.385
  216   3HD1  ILE  25          3HD1      ILE  25  -5.724   8.334  -4.023
  217    H    HIS  26           H        HIS  26  -6.146   4.392  -5.181
  218    HA   HIS  26           HA       HIS  26  -6.385   4.570  -8.071
  219   1HB   HIS  26          1HB       HIS  26  -4.975   6.557  -6.465
  220   2HB   HIS  26          2HB       HIS  26  -3.938   5.809  -7.676
  221    HD1  HIS  26           HD1      HIS  26  -4.184   6.613 -10.033
  222    HD2  HIS  26           HD2      HIS  26  -7.319   7.842  -7.599
  223    HE1  HIS  26           HE1      HIS  26  -5.526   8.219 -11.427
  224    HE2  HIS  26           HE2      HIS  26  -7.366   9.018  -9.902
  225    H    TYR  27           H        TYR  27  -4.538   3.632  -9.196
  226    HA   TYR  27           HA       TYR  27  -2.909   1.843  -7.528
  227   1HB   TYR  27          1HB       TYR  27  -3.371  -0.045  -8.860
  228   2HB   TYR  27          2HB       TYR  27  -4.941   0.708  -8.608
  229    HD1  TYR  27           HD1      TYR  27  -5.954   2.076 -10.458
  230    HD2  TYR  27           HD2      TYR  27  -2.474  -0.316 -11.039
  231    HE1  TYR  27           HE1      TYR  27  -6.308   2.165 -12.894
  232    HE2  TYR  27           HE2      TYR  27  -2.817  -0.233 -13.477
  233    HH   TYR  27           HH       TYR  27  -5.681   0.767 -14.900
  234    H    GLN  28           H        GLN  28  -0.851   1.391  -8.310
  235    HA   GLN  28           HA       GLN  28  -0.061   2.530 -10.874
  236   1HB   GLN  28          1HB       GLN  28   2.040   3.357  -9.356
  237   2HB   GLN  28          2HB       GLN  28   0.705   4.386  -9.857
  238   1HG   GLN  28          1HG       GLN  28   0.148   2.889  -7.430
  239   2HG   GLN  28          2HG       GLN  28   1.537   3.966  -7.283
  240   1HE2  GLN  28          2HE2      GLN  28  -1.477   3.879  -6.454
  241   2HE2  GLN  28          1HE2      GLN  28  -1.985   5.506  -6.738
  242    H    GLN  29           H        GLN  29   2.181   1.917 -11.476
  243    HA   GLN  29           HA       GLN  29   2.714  -0.816 -10.578
  244   1HB   GLN  29          1HB       GLN  29   2.865   0.557 -13.098
  245   2HB   GLN  29          2HB       GLN  29   4.437  -0.125 -12.706
  246   1HG   GLN  29          1HG       GLN  29   3.498  -1.875 -13.819
  247   2HG   GLN  29          2HG       GLN  29   3.025  -2.266 -12.166
  248   1HE2  GLN  29          2HE2      GLN  29   1.913  -2.415 -15.127
  249   2HE2  GLN  29          1HE2      GLN  29   0.234  -2.082 -14.886
  250    H    ASN  30           H        ASN  30   4.954  -1.506 -10.280
  251    HA   ASN  30           HA       ASN  30   6.415   0.447  -8.713
  252   1HB   ASN  30          1HB       ASN  30   5.988  -2.175  -8.307
  253   2HB   ASN  30          2HB       ASN  30   7.529  -2.271  -9.154
  254   1HD2  ASN  30          2HD2      ASN  30   8.913  -2.759  -7.579
  255   2HD2  ASN  30          1HD2      ASN  30   9.155  -1.827  -6.145
  256    H    GLN  31           H        GLN  31   8.769   0.682  -8.959
  257    HA   GLN  31           HA       GLN  31   9.436   1.084 -11.753
  258   1HB   GLN  31          1HB       GLN  31  10.589   1.968  -9.141
  259   2HB   GLN  31          2HB       GLN  31  11.612   1.993 -10.570
  260   1HG   GLN  31          1HG       GLN  31  10.265   3.572 -11.648
  261   2HG   GLN  31          2HG       GLN  31   8.918   3.305 -10.541
  262   1HE2  GLN  31          2HE2      GLN  31  10.320   5.771 -11.284
  263   2HE2  GLN  31          1HE2      GLN  31  10.884   6.456  -9.801
  264    H    ALA  32           H        ALA  32  10.522  -0.342 -12.924
  265    HA   ALA  32           HA       ALA  32  11.463  -2.787 -11.980
  266   1HB   ALA  32          1HB       ALA  32  11.820  -1.249 -14.502
  267   2HB   ALA  32          2HB       ALA  32  12.846  -2.655 -14.218
  268   3HB   ALA  32          3HB       ALA  32  11.092  -2.834 -14.237
  269    H    SER  33           H        SER  33  12.755  -2.381 -10.148
  270    HA   SER  33           HA       SER  33  15.442  -2.579 -10.370
  271   1HB   SER  33          1HB       SER  33  15.959  -0.044  -9.627
  272   2HB   SER  33          2HB       SER  33  16.009  -0.575 -11.307
  273    HG   SER  33           HG       SER  33  14.061   0.932  -9.967
  274    H    CYS  34           H        CYS  34  12.743  -1.318  -8.611
  275    HA   CYS  34           HA       CYS  34  14.180  -1.653  -6.070
  276   1HB   CYS  34          1HB       CYS  34  11.461  -0.577  -5.916
  277   2HB   CYS  34          2HB       CYS  34  12.957   0.039  -5.220
  278    H    GLY  35           H        GLY  35  13.697  -3.283  -4.732
  279   1HA   GLY  35          1HA       GLY  35  12.833  -5.332  -4.119
  280   2HA   GLY  35          2HA       GLY  35  11.310  -4.457  -4.165
  281    H    LYS  36           H        LYS  36  10.343  -6.502  -4.752
  282    HA   LYS  36           HA       LYS  36  11.015  -7.626  -7.335
  283   1HB   LYS  36          1HB       LYS  36   8.693  -8.352  -5.549
  284   2HB   LYS  36          2HB       LYS  36   9.383  -9.318  -6.845
  285   1HG   LYS  36          1HG       LYS  36  10.578 -10.339  -5.289
  286   2HG   LYS  36          2HG       LYS  36  11.519  -8.852  -5.151
  287   1HD   LYS  36          1HD       LYS  36  10.569  -8.282  -3.184
  288   2HD   LYS  36          2HD       LYS  36   8.982  -8.897  -3.654
  289   1HE   LYS  36          1HE       LYS  36  11.086 -10.923  -3.251
  290   2HE   LYS  36          2HE       LYS  36  10.555 -10.065  -1.805
  291   1HZ   LYS  36          1HZ       LYS  36   8.252 -10.670  -2.406
  292   2HZ   LYS  36          2HZ       LYS  36   8.848 -11.602  -3.685
  293   3HZ   LYS  36          3HZ       LYS  36   9.226 -12.017  -2.089
  294    H    ARG  37           H        ARG  37   9.402  -7.933  -9.019
  295    HA   ARG  37           HA       ARG  37   8.137  -5.512  -9.733
  296   1HB   ARG  37          1HB       ARG  37   8.741  -7.993 -10.976
  297   2HB   ARG  37          2HB       ARG  37   7.023  -7.699 -11.202
  298   1HG   ARG  37          1HG       ARG  37   7.365  -5.834 -12.484
  299   2HG   ARG  37          2HG       ARG  37   8.934  -5.489 -11.757
  300   1HD   ARG  37          1HD       ARG  37   8.466  -6.715 -14.206
  301   2HD   ARG  37          2HD       ARG  37  10.001  -6.626 -13.343
  302    HE   ARG  37           HE       ARG  37   9.822  -8.857 -12.902
  303   1HH1  ARG  37          1HH1      ARG  37   6.675  -7.629 -13.746
  304   2HH1  ARG  37          2HH1      ARG  37   5.923  -9.189 -13.747
  305   1HH2  ARG  37          1HH2      ARG  37   8.841 -10.918 -12.898
  306   2HH2  ARG  37          2HH2      ARG  37   7.155 -11.059 -13.263
  307    H    ALA  38           H        ALA  38   6.712  -4.976  -8.053
  308    HA   ALA  38           HA       ALA  38   4.277  -6.634  -7.930
  309   1HB   ALA  38          1HB       ALA  38   5.938  -5.938  -5.833
  310   2HB   ALA  38          2HB       ALA  38   4.597  -4.801  -5.703
  311   3HB   ALA  38          3HB       ALA  38   4.284  -6.537  -5.704
  312    H    ILE  39           H        ILE  39   2.662  -4.825  -6.578
  313    HA   ILE  39           HA       ILE  39   2.480  -2.558  -8.451
  314    HB   ILE  39           HB       ILE  39   0.204  -4.256  -7.423
  315   1HG1  ILE  39          1HG1      ILE  39   1.662  -5.032  -9.404
  316   2HG1  ILE  39          2HG1      ILE  39  -0.084  -5.007  -9.630
  317   1HG2  ILE  39          1HG2      ILE  39   0.144  -1.731  -9.069
  318   2HG2  ILE  39          2HG2      ILE  39  -1.244  -2.775  -8.762
  319   3HG2  ILE  39          3HG2      ILE  39  -0.460  -1.932  -7.425
  320   1HD1  ILE  39          1HD1      ILE  39   1.581  -2.665 -10.443
  321   2HD1  ILE  39          2HD1      ILE  39   1.438  -4.080 -11.485
  322   3HD1  ILE  39          3HD1      ILE  39  -0.004  -3.170 -11.031
  323    H    ILE  40           H        ILE  40   1.450  -0.662  -7.634
  324    HA   ILE  40           HA       ILE  40   1.597  -0.467  -4.700
  325    HB   ILE  40           HB       ILE  40   1.691   1.853  -6.618
  326   1HG1  ILE  40          1HG1      ILE  40   3.539   0.091  -6.948
  327   2HG1  ILE  40          2HG1      ILE  40   4.042   1.759  -6.689
  328   1HG2  ILE  40          1HG2      ILE  40   2.409   1.490  -3.719
  329   2HG2  ILE  40          2HG2      ILE  40   2.862   2.909  -4.661
  330   3HG2  ILE  40          3HG2      ILE  40   1.160   2.527  -4.405
  331   1HD1  ILE  40          1HD1      ILE  40   3.960  -0.371  -4.568
  332   2HD1  ILE  40          2HD1      ILE  40   5.402   0.154  -5.439
  333   3HD1  ILE  40          3HD1      ILE  40   4.552   1.279  -4.379
  334    H    LEU  41           H        LEU  41  -0.257  -0.265  -3.646
  335    HA   LEU  41           HA       LEU  41  -2.619   0.690  -5.114
  336   1HB   LEU  41          1HB       LEU  41  -2.399  -0.990  -2.616
  337   2HB   LEU  41          2HB       LEU  41  -3.912  -0.413  -3.286
  338    HG   LEU  41           HG       LEU  41  -2.056  -2.502  -4.365
  339   1HD1  LEU  41          1HD1      LEU  41  -4.466  -2.538  -2.978
  340   2HD1  LEU  41          2HD1      LEU  41  -4.900  -2.906  -4.647
  341   3HD1  LEU  41          3HD1      LEU  41  -3.698  -3.890  -3.811
  342   1HD2  LEU  41          1HD2      LEU  41  -4.071  -0.891  -5.920
  343   2HD2  LEU  41          2HD2      LEU  41  -2.350  -1.080  -6.256
  344   3HD2  LEU  41          3HD2      LEU  41  -3.443  -2.451  -6.450
  345    H    GLU  42           H        GLU  42  -3.458   2.601  -4.623
  346    HA   GLU  42           HA       GLU  42  -2.557   3.933  -2.162
  347   1HB   GLU  42          1HB       GLU  42  -2.123   5.007  -4.412
  348   2HB   GLU  42          2HB       GLU  42  -3.862   5.223  -4.558
  349   1HG   GLU  42          1HG       GLU  42  -3.666   6.425  -2.281
  350   2HG   GLU  42          2HG       GLU  42  -1.950   6.529  -2.670
  351    H    THR  43           H        THR  43  -3.958   4.349  -0.571
  352    HA   THR  43           HA       THR  43  -6.802   3.802  -1.081
  353    HB   THR  43           HB       THR  43  -6.883   3.707   1.482
  354    HG1  THR  43           HG1      THR  43  -4.939   4.621   2.004
  355   1HG2  THR  43          1HG2      THR  43  -5.825   1.730  -0.373
  356   2HG2  THR  43          2HG2      THR  43  -5.323   1.475   1.299
  357   3HG2  THR  43          3HG2      THR  43  -7.038   1.567   0.899
  358    H    ARG  44           H        ARG  44  -8.281   5.064   0.500
  359    HA   ARG  44           HA       ARG  44  -8.152   7.789  -0.200
  360   1HB   ARG  44          1HB       ARG  44  -9.968   6.033   1.221
  361   2HB   ARG  44          2HB       ARG  44  -9.867   7.605   2.000
  362   1HG   ARG  44          1HG       ARG  44 -10.495   8.713  -0.041
  363   2HG   ARG  44          2HG       ARG  44 -10.463   7.183  -0.919
  364   1HD   ARG  44          1HD       ARG  44 -12.162   7.104   1.444
  365   2HD   ARG  44          2HD       ARG  44 -12.667   8.324   0.276
  366    HE   ARG  44           HE       ARG  44 -12.126   5.800  -0.949
  367   1HH1  ARG  44          1HH1      ARG  44 -14.510   7.622   0.818
  368   2HH1  ARG  44          2HH1      ARG  44 -15.852   6.725   0.190
  369   1HH2  ARG  44          1HH2      ARG  44 -13.884   4.613  -1.785
  370   2HH2  ARG  44          2HH2      ARG  44 -15.496   5.012  -1.291
  371    H    GLN  45           H        GLN  45  -6.559   6.072   2.227
  372    HA   GLN  45           HA       GLN  45  -6.190   8.478   3.874
  373   1HB   GLN  45          1HB       GLN  45  -5.612   5.570   4.461
  374   2HB   GLN  45          2HB       GLN  45  -5.210   6.896   5.545
  375   1HG   GLN  45          1HG       GLN  45  -7.603   7.480   5.664
  376   2HG   GLN  45          2HG       GLN  45  -7.967   6.077   4.660
  377   1HE2  GLN  45          2HE2      GLN  45  -8.833   4.557   5.868
  378   2HE2  GLN  45          1HE2      GLN  45  -8.293   4.067   7.434
  379    H    HIS  46           H        HIS  46  -4.885   7.660   1.231
  380    HA   HIS  46           HA       HIS  46  -2.858   7.897   0.231
  381   1HB   HIS  46          1HB       HIS  46  -2.112   9.169   2.874
  382   2HB   HIS  46          2HB       HIS  46  -1.150   9.253   1.402
  383    HD1  HIS  46           HD1      HIS  46  -1.813  10.976  -0.332
  384    HD2  HIS  46           HD2      HIS  46  -4.538  10.672   2.791
  385    HE1  HIS  46           HE1      HIS  46  -3.386  12.918  -0.622
  386    HE2  HIS  46           HE2      HIS  46  -5.076  12.664   1.230
  387    H    ARG  47           H        ARG  47  -3.349   5.401   1.211
  388    HA   ARG  47           HA       ARG  47  -0.846   4.563   2.500
  389   1HB   ARG  47          1HB       ARG  47  -3.383   3.894   3.172
  390   2HB   ARG  47          2HB       ARG  47  -2.997   2.580   2.072
  391   1HG   ARG  47          1HG       ARG  47  -0.837   3.026   3.917
  392   2HG   ARG  47          2HG       ARG  47  -2.359   2.769   4.770
  393   1HD   ARG  47          1HD       ARG  47  -2.637   0.645   3.919
  394   2HD   ARG  47          2HD       ARG  47  -1.618   0.960   2.514
  395    HE   ARG  47           HE       ARG  47  -0.777  -0.021   5.065
  396   1HH1  ARG  47          1HH1      ARG  47   0.216   1.834   2.290
  397   2HH1  ARG  47          2HH1      ARG  47   1.904   1.510   2.517
  398   1HH2  ARG  47          1HH2      ARG  47   1.441  -0.452   5.374
  399   2HH2  ARG  47          2HH2      ARG  47   2.600   0.211   4.271
  400    H    LEU  48           H        LEU  48   0.658   3.542   1.360
  401    HA   LEU  48           HA       LEU  48  -0.048   2.586  -1.332
  402   1HB   LEU  48          1HB       LEU  48   2.676   3.324  -0.261
  403   2HB   LEU  48          2HB       LEU  48   2.287   2.895  -1.918
  404    HG   LEU  48           HG       LEU  48   1.414   5.379  -0.442
  405   1HD1  LEU  48          1HD1      LEU  48   3.391   4.807  -2.618
  406   2HD1  LEU  48          2HD1      LEU  48   2.659   6.402  -2.444
  407   3HD1  LEU  48          3HD1      LEU  48   3.609   5.720  -1.125
  408   1HD2  LEU  48          1HD2      LEU  48   0.212   4.019  -2.678
  409   2HD2  LEU  48          2HD2      LEU  48  -0.330   5.460  -1.817
  410   3HD2  LEU  48          3HD2      LEU  48   0.805   5.609  -3.158
  411    H    PHE  49           H        PHE  49  -0.353   0.466  -1.389
  412    HA   PHE  49           HA       PHE  49   1.297  -1.256   0.332
  413   1HB   PHE  49          1HB       PHE  49  -1.487  -1.446  -0.697
  414   2HB   PHE  49          2HB       PHE  49  -0.591  -2.949  -0.502
  415    HD1  PHE  49           HD1      PHE  49   0.924  -2.648   1.887
  416    HD2  PHE  49           HD2      PHE  49  -2.992  -1.205   1.015
  417    HE1  PHE  49           HE1      PHE  49   0.387  -2.659   4.294
  418    HE2  PHE  49           HE2      PHE  49  -3.535  -1.209   3.417
  419    HZ   PHE  49           HZ       PHE  49  -1.845  -1.940   5.060
  420    H    CYS  50           H        CYS  50   2.616  -2.759  -0.521
  421    HA   CYS  50           HA       CYS  50   2.931  -2.776  -3.419
  422   1HB   CYS  50          1HB       CYS  50   4.641  -3.511  -1.093
  423   2HB   CYS  50          2HB       CYS  50   4.926  -4.359  -2.610
  424    H    ALA  51           H        ALA  51   1.085  -3.982  -3.978
  425    HA   ALA  51           HA       ALA  51   1.042  -6.779  -3.078
  426   1HB   ALA  51          1HB       ALA  51  -1.002  -5.271  -2.870
  427   2HB   ALA  51          2HB       ALA  51  -1.135  -5.405  -4.622
  428   3HB   ALA  51          3HB       ALA  51  -1.241  -6.851  -3.619
  429    H    ASP  52           H        ASP  52   1.472  -8.408  -4.428
  430    HA   ASP  52           HA       ASP  52   2.609  -7.918  -6.973
  431   1HB   ASP  52          1HB       ASP  52   3.082  -9.874  -5.398
  432   2HB   ASP  52          2HB       ASP  52   1.593 -10.591  -6.009
  433    HA   PRO  53           HA       PRO  53  -0.862  -7.652  -9.671
  434   1HB   PRO  53          1HB       PRO  53   0.755  -9.362 -11.492
  435   2HB   PRO  53          2HB       PRO  53   0.007  -7.789 -11.793
  436   1HG   PRO  53          1HG       PRO  53   2.641  -8.005 -11.427
  437   2HG   PRO  53          2HG       PRO  53   1.734  -6.624 -10.782
  438   1HD   PRO  53          1HD       PRO  53   2.820  -9.013  -9.360
  439   2HD   PRO  53          2HD       PRO  53   2.691  -7.330  -8.808
  440    H    LYS  54           H        LYS  54   0.530 -10.670  -8.703
  441    HA   LYS  54           HA       LYS  54  -1.515 -12.313  -9.891
  442   1HB   LYS  54          1HB       LYS  54  -0.413 -14.161  -8.863
  443   2HB   LYS  54          2HB       LYS  54   0.838 -13.079  -9.458
  444   1HG   LYS  54          1HG       LYS  54   1.056 -12.157  -7.166
  445   2HG   LYS  54          2HG       LYS  54  -0.091 -13.378  -6.612
  446   1HD   LYS  54          1HD       LYS  54   2.486 -14.023  -8.036
  447   2HD   LYS  54          2HD       LYS  54   2.324 -13.968  -6.279
  448   1HE   LYS  54          1HE       LYS  54   0.586 -15.694  -8.025
  449   2HE   LYS  54          2HE       LYS  54   2.122 -16.252  -7.363
  450   1HZ   LYS  54          1HZ       LYS  54   0.873 -15.252  -5.192
  451   2HZ   LYS  54          2HZ       LYS  54  -0.423 -15.906  -6.060
  452   3HZ   LYS  54          3HZ       LYS  54   0.887 -16.886  -5.631
  453    H    GLU  55           H        GLU  55  -1.359 -10.341  -7.183
  454    HA   GLU  55           HA       GLU  55  -2.920 -11.883  -5.364
  455   1HB   GLU  55          1HB       GLU  55  -2.424  -8.903  -5.499
  456   2HB   GLU  55          2HB       GLU  55  -3.201  -9.730  -4.156
  457   1HG   GLU  55          1HG       GLU  55  -0.993 -11.150  -4.175
  458   2HG   GLU  55          2HG       GLU  55  -0.348  -9.726  -4.989
  459    H    GLN  56           H        GLN  56  -5.067 -12.118  -5.217
  460    HA   GLN  56           HA       GLN  56  -6.776 -11.485  -7.317
  461   1HB   GLN  56          1HB       GLN  56  -7.155 -13.243  -5.575
  462   2HB   GLN  56          2HB       GLN  56  -7.598 -11.967  -4.450
  463   1HG   GLN  56          1HG       GLN  56  -9.013 -12.615  -7.027
  464   2HG   GLN  56          2HG       GLN  56  -9.559 -13.045  -5.407
  465   1HE2  GLN  56          2HE2      GLN  56  -9.392 -10.609  -7.802
  466   2HE2  GLN  56          1HE2      GLN  56 -10.247  -9.380  -6.941
  467    H    TRP  57           H        TRP  57  -6.734  -9.985  -4.074
  468    HA   TRP  57           HA       TRP  57  -8.602  -8.006  -4.566
  469   1HB   TRP  57          1HB       TRP  57  -7.895  -6.977  -2.589
  470   2HB   TRP  57          2HB       TRP  57  -7.474  -8.669  -2.356
  471    HD1  TRP  57           HD1      TRP  57  -4.726  -9.157  -3.199
  472    HE1  TRP  57           HE1      TRP  57  -2.679  -7.781  -2.460
  473    HE3  TRP  57           HE3      TRP  57  -7.106  -4.847  -1.807
  474    HZ2  TRP  57           HZ2      TRP  57  -2.146  -5.203  -1.416
  475    HZ3  TRP  57           HZ3      TRP  57  -5.756  -2.972  -0.949
  476    HH2  TRP  57           HH2      TRP  57  -3.325  -3.147  -0.756
  477    H    VAL  58           H        VAL  58  -5.466  -8.285  -5.873
  478    HA   VAL  58           HA       VAL  58  -5.181  -5.441  -6.399
  479    HB   VAL  58           HB       VAL  58  -3.483  -7.807  -7.196
  480   1HG1  VAL  58          1HG1      VAL  58  -3.380  -4.952  -8.006
  481   2HG1  VAL  58          2HG1      VAL  58  -1.856  -5.781  -7.688
  482   3HG1  VAL  58          3HG1      VAL  58  -2.959  -6.402  -8.916
  483   1HG2  VAL  58          1HG2      VAL  58  -3.460  -7.167  -4.803
  484   2HG2  VAL  58          2HG2      VAL  58  -1.898  -6.953  -5.593
  485   3HG2  VAL  58          3HG2      VAL  58  -2.922  -5.554  -5.272
  486    H    LYS  59           H        LYS  59  -5.801  -8.434  -8.191
  487    HA   LYS  59           HA       LYS  59  -5.879  -7.320 -10.767
  488   1HB   LYS  59          1HB       LYS  59  -7.317  -9.720  -9.624
  489   2HB   LYS  59          2HB       LYS  59  -7.267  -9.329 -11.335
  490   1HG   LYS  59          1HG       LYS  59  -5.056  -9.896 -11.546
  491   2HG   LYS  59          2HG       LYS  59  -4.711  -9.610  -9.838
  492   1HD   LYS  59          1HD       LYS  59  -5.915 -11.608  -9.219
  493   2HD   LYS  59          2HD       LYS  59  -6.403 -11.871 -10.892
  494   1HE   LYS  59          1HE       LYS  59  -3.840 -11.862 -11.354
  495   2HE   LYS  59          2HE       LYS  59  -3.714 -12.199  -9.629
  496   1HZ   LYS  59          1HZ       LYS  59  -5.655 -13.888 -10.769
  497   2HZ   LYS  59          2HZ       LYS  59  -4.234 -14.000 -11.681
  498   3HZ   LYS  59          3HZ       LYS  59  -4.200 -14.308 -10.017
  499    H    ASP  60           H        ASP  60  -8.511  -8.029  -8.480
  500    HA   ASP  60           HA       ASP  60 -10.531  -6.839 -10.082
  501   1HB   ASP  60          1HB       ASP  60 -11.144  -8.496  -8.435
  502   2HB   ASP  60          2HB       ASP  60 -10.463  -7.520  -7.135
  503    H    ALA  61           H        ALA  61  -8.672  -5.710  -7.262
  504    HA   ALA  61           HA       ALA  61  -9.882  -3.294  -6.799
  505   1HB   ALA  61          1HB       ALA  61  -7.016  -4.146  -6.601
  506   2HB   ALA  61          2HB       ALA  61  -7.505  -2.500  -6.198
  507   3HB   ALA  61          3HB       ALA  61  -8.185  -3.865  -5.311
  508    H    MET  62           H        MET  62  -7.618  -4.144  -9.355
  509    HA   MET  62           HA       MET  62  -7.336  -1.468 -10.329
  510   1HB   MET  62          1HB       MET  62  -6.468  -4.172 -11.230
  511   2HB   MET  62          2HB       MET  62  -6.499  -2.878 -12.421
  512   1HG   MET  62          1HG       MET  62  -5.184  -1.603 -10.505
  513   2HG   MET  62          2HG       MET  62  -4.748  -3.253 -10.063
  514   1HE   MET  62          1HE       MET  62  -3.290  -4.735 -11.192
  515   2HE   MET  62          2HE       MET  62  -4.166  -4.913 -12.712
  516   3HE   MET  62          3HE       MET  62  -2.453  -4.495 -12.725
  517    H    GLN  63           H        GLN  63  -8.843  -4.353 -11.803
  518    HA   GLN  63           HA       GLN  63 -10.092  -3.183 -13.925
  519   1HB   GLN  63          1HB       GLN  63 -10.450  -5.595 -12.384
  520   2HB   GLN  63          2HB       GLN  63 -12.014  -4.956 -12.872
  521   1HG   GLN  63          1HG       GLN  63 -11.733  -5.667 -14.948
  522   2HG   GLN  63          2HG       GLN  63 -10.162  -4.873 -15.069
  523   1HE2  GLN  63          2HE2      GLN  63  -8.726  -6.215 -13.167
  524   2HE2  GLN  63          1HE2      GLN  63  -8.546  -7.869 -13.632
  525    H    HIS  64           H        HIS  64 -10.847  -2.872 -10.565
  526    HA   HIS  64           HA       HIS  64 -13.456  -1.761 -10.919
  527   1HB   HIS  64          1HB       HIS  64 -12.737  -2.917  -8.837
  528   2HB   HIS  64          2HB       HIS  64 -11.631  -1.584  -8.517
  529    HD1  HIS  64           HD1      HIS  64 -15.366  -2.086  -9.048
  530    HD2  HIS  64           HD2      HIS  64 -12.717   0.362  -6.985
  531    HE1  HIS  64           HE1      HIS  64 -16.802  -0.584  -7.633
  532    HE2  HIS  64           HE2      HIS  64 -15.181   0.937  -6.447
  533    H    LEU  65           H        LEU  65 -10.381  -0.348  -9.816
  534    HA   LEU  65           HA       LEU  65 -11.171   2.311  -9.818
  535   1HB   LEU  65          1HB       LEU  65  -8.501   0.997 -10.237
  536   2HB   LEU  65          2HB       LEU  65  -8.670   2.741 -10.257
  537    HG   LEU  65           HG       LEU  65  -9.160   0.868  -7.952
  538   1HD1  LEU  65          1HD1      LEU  65  -6.914   2.263  -8.794
  539   2HD1  LEU  65          2HD1      LEU  65  -7.579   3.241  -7.484
  540   3HD1  LEU  65          3HD1      LEU  65  -7.180   1.546  -7.205
  541   1HD2  LEU  65          1HD2      LEU  65 -10.311   3.511  -8.500
  542   2HD2  LEU  65          2HD2      LEU  65 -10.841   2.247  -7.390
  543   3HD2  LEU  65          3HD2      LEU  65  -9.545   3.346  -6.920
  544    H    ASP  66           H        ASP  66  -9.987   0.310 -12.463
  545    HA   ASP  66           HA       ASP  66  -9.561   2.305 -14.371
  546   1HB   ASP  66          1HB       ASP  66 -10.374  -0.588 -14.640
  547   2HB   ASP  66          2HB       ASP  66 -10.053   0.436 -16.036
  548    H    ARG  67           H        ARG  67 -12.483   1.047 -13.063
  549    HA   ARG  67           HA       ARG  67 -14.104   2.095 -15.249
  550   1HB   ARG  67          1HB       ARG  67 -14.413   0.000 -13.375
  551   2HB   ARG  67          2HB       ARG  67 -15.666   1.183 -13.021
  552   1HG   ARG  67          1HG       ARG  67 -16.868   0.468 -14.732
  553   2HG   ARG  67          2HG       ARG  67 -15.533   0.796 -15.843
  554   1HD   ARG  67          1HD       ARG  67 -14.719  -1.507 -14.606
  555   2HD   ARG  67          2HD       ARG  67 -16.463  -1.735 -14.714
  556    HE   ARG  67           HE       ARG  67 -14.579  -1.742 -16.878
  557   1HH1  ARG  67          1HH1      ARG  67 -17.897  -1.185 -15.987
  558   2HH1  ARG  67          2HH1      ARG  67 -18.514  -1.508 -17.572
  559   1HH2  ARG  67          1HH2      ARG  67 -15.378  -2.169 -18.972
  560   2HH2  ARG  67          2HH2      ARG  67 -17.082  -2.068 -19.269
  561    H    GLN  68           H        GLN  68 -12.851   3.103 -12.270
  562    HA   GLN  68           HA       GLN  68 -14.980   4.993 -11.699
  563   1HB   GLN  68          1HB       GLN  68 -12.651   3.925 -10.287
  564   2HB   GLN  68          2HB       GLN  68 -12.862   5.655 -10.056
  565   1HG   GLN  68          1HG       GLN  68 -13.979   4.453  -8.300
  566   2HG   GLN  68          2HG       GLN  68 -15.169   5.260  -9.321
  567   1HE2  GLN  68          2HE2      GLN  68 -13.410   2.250  -9.877
  568   2HE2  GLN  68          1HE2      GLN  68 -14.809   1.240  -9.957
  569    H    ALA  69           H        ALA  69 -12.168   4.878 -13.581
  570    HA   ALA  69           HA       ALA  69 -11.414   7.629 -13.400
  571   1HB   ALA  69          1HB       ALA  69 -10.664   5.332 -15.144
  572   2HB   ALA  69          2HB       ALA  69 -10.242   6.968 -15.653
  573   3HB   ALA  69          3HB       ALA  69  -9.653   6.342 -14.113
  574    H    ALA  70           H        ALA  70 -13.124   5.720 -15.877
  575    HA   ALA  70           HA       ALA  70 -13.672   7.827 -17.628
  576   1HB   ALA  70          1HB       ALA  70 -14.308   5.081 -17.442
  577   2HB   ALA  70          2HB       ALA  70 -15.818   5.954 -17.706
  578   3HB   ALA  70          3HB       ALA  70 -14.478   6.150 -18.835
  579    H    ALA  71           H        ALA  71 -15.132   6.946 -14.620
  580    HA   ALA  71           HA       ALA  71 -17.644   8.158 -14.928
  581   1HB   ALA  71          1HB       ALA  71 -16.066   7.066 -12.742
  582   2HB   ALA  71          2HB       ALA  71 -17.077   8.426 -12.251
  583   3HB   ALA  71          3HB       ALA  71 -17.806   7.016 -13.019
  584    H    LEU  72           H        LEU  72 -14.586   9.540 -14.832
  585    HA   LEU  72           HA       LEU  72 -15.058  11.929 -13.421
  586   1HB   LEU  72          1HB       LEU  72 -13.098  11.076 -15.511
  587   2HB   LEU  72          2HB       LEU  72 -13.193  12.768 -15.064
  588    HG   LEU  72           HG       LEU  72 -11.493  11.132 -13.888
  589   1HD1  LEU  72          1HD1      LEU  72 -12.696  13.601 -13.245
  590   2HD1  LEU  72          2HD1      LEU  72 -12.571  12.677 -11.748
  591   3HD1  LEU  72          3HD1      LEU  72 -11.130  12.980 -12.720
  592   1HD2  LEU  72          1HD2      LEU  72 -14.070  10.675 -12.407
  593   2HD2  LEU  72          2HD2      LEU  72 -12.990   9.471 -13.108
  594   3HD2  LEU  72          3HD2      LEU  72 -12.482  10.393 -11.694
  595    H    THR  73           H        THR  73 -14.707  11.662 -16.958
  596    HA   THR  73           HA       THR  73 -17.028  13.418 -17.285
  597    HB   THR  73           HB       THR  73 -15.335  15.034 -17.402
  598    HG1  THR  73           HG1      THR  73 -16.642  14.479 -19.529
  599   1HG2  THR  73          1HG2      THR  73 -13.424  13.444 -17.451
  600   2HG2  THR  73          2HG2      THR  73 -13.684  13.269 -19.186
  601   3HG2  THR  73          3HG2      THR  73 -13.243  14.839 -18.517
  602    H    ARG  74           H        ARG  74 -16.117  10.532 -17.833
  603    HA   ARG  74           HA       ARG  74 -16.344   8.942 -19.454
  604   1HB   ARG  74          1HB       ARG  74 -18.658  10.513 -19.372
  605   2HB   ARG  74          2HB       ARG  74 -18.302  10.321 -21.083
  606   1HG   ARG  74          1HG       ARG  74 -18.564   8.067 -19.102
  607   2HG   ARG  74          2HG       ARG  74 -19.819   8.592 -20.229
  608   1HD   ARG  74          1HD       ARG  74 -18.935   7.345 -21.840
  609   2HD   ARG  74          2HD       ARG  74 -17.386   8.169 -21.664
  610    HE   ARG  74           HE       ARG  74 -17.924   6.084 -19.725
  611   1HH1  ARG  74          1HH1      ARG  74 -16.471   6.938 -22.773
  612   2HH1  ARG  74          2HH1      ARG  74 -15.382   5.592 -22.778
  613   1HH2  ARG  74          1HH2      ARG  74 -16.492   4.309 -19.721
  614   2HH2  ARG  74          2HH2      ARG  74 -15.392   4.098 -21.043
  615    H    ASN  75           H        ASN  75 -14.413  11.108 -19.955
  616    HA   ASN  75           HA       ASN  75 -14.200  10.753 -22.863
  617   1HB   ASN  75          1HB       ASN  75 -14.454  13.262 -21.400
  618   2HB   ASN  75          2HB       ASN  75 -12.995  13.210 -22.388
  619   1HD2  ASN  75          2HD2      ASN  75 -13.517  14.509 -24.029
  620   2HD2  ASN  75          1HD2      ASN  75 -14.863  14.278 -25.085
  621    H    GLY  76           H        GLY  76 -12.693   9.090 -22.471
  622   1HA   GLY  76          1HA       GLY  76 -10.449   9.273 -20.809
  623   2HA   GLY  76          2HA       GLY  76 -10.583   8.226 -22.213
  Start of MODEL   15
    1   2H    MET   0          2H        MET   0  23.168  -0.847  -0.504
    2   3H    MET   0          3H        MET   0  23.218   0.439   0.627
    3   1H    MET   0          1H        MET   0  24.322  -0.868   0.766
    4    HA   MET   0           HA       MET   0  21.562  -0.651   1.553
    5   1HB   MET   0          1HB       MET   0  22.338  -2.547  -0.391
    6   2HB   MET   0          2HB       MET   0  22.214  -3.423   1.128
    7   1HG   MET   0          1HG       MET   0  19.952  -1.819   1.065
    8   2HG   MET   0          2HG       MET   0  20.136  -2.400  -0.590
    9   1HE   MET   0          1HE       MET   0  18.772  -3.068   2.816
   10   2HE   MET   0          2HE       MET   0  18.959  -4.797   3.104
   11   3HE   MET   0          3HE       MET   0  20.367  -3.736   3.163
   12    H    GLN   1           H        GLN   1  23.376   0.198   3.136
   13    HA   GLN   1           HA       GLN   1  24.391  -2.033   4.754
   14   1HB   GLN   1          1HB       GLN   1  25.453   0.529   4.029
   15   2HB   GLN   1          2HB       GLN   1  25.308   0.440   5.779
   16   1HG   GLN   1          1HG       GLN   1  26.733  -1.563   4.042
   17   2HG   GLN   1          2HG       GLN   1  27.504  -0.289   4.987
   18   1HE2  GLN   1          2HE2      GLN   1  28.685  -1.767   6.194
   19   2HE2  GLN   1          1HE2      GLN   1  27.959  -2.755   7.409
   20    H    HIS   2           H        HIS   2  21.644  -0.449   4.599
   21    HA   HIS   2           HA       HIS   2  21.123  -0.728   7.435
   22   1HB   HIS   2          1HB       HIS   2  21.528   1.863   6.202
   23   2HB   HIS   2          2HB       HIS   2  19.900   1.725   6.857
   24    HD1  HIS   2           HD1      HIS   2  20.008   0.613   9.470
   25    HD2  HIS   2           HD2      HIS   2  23.236   2.815   8.054
   26    HE1  HIS   2           HE1      HIS   2  21.274   1.341  11.516
   27    HE2  HIS   2           HE2      HIS   2  23.267   2.603  10.631
   28    H    HIS   3           H        HIS   3  18.860  -0.763   7.941
   29    HA   HIS   3           HA       HIS   3  17.298  -2.013   5.927
   30   1HB   HIS   3          1HB       HIS   3  16.175  -0.900   8.489
   31   2HB   HIS   3          2HB       HIS   3  15.655  -2.321   7.588
   32    HD1  HIS   3           HD1      HIS   3  18.298  -1.158   9.984
   33    HD2  HIS   3           HD2      HIS   3  17.016  -4.671   8.174
   34    HE1  HIS   3           HE1      HIS   3  19.511  -3.010  11.176
   35    HE2  HIS   3           HE2      HIS   3  18.779  -5.121  10.012
   36    H    GLY   4           H        GLY   4  16.908  -0.672   4.203
   37   1HA   GLY   4          1HA       GLY   4  14.886   0.674   3.533
   38   2HA   GLY   4          2HA       GLY   4  15.391   1.790   4.789
   39    H    VAL   5           H        VAL   5  17.787   0.236   2.844
   40    HA   VAL   5           HA       VAL   5  18.242   2.787   1.437
   41    HB   VAL   5           HB       VAL   5  20.380   0.746   2.012
   42   1HG1  VAL   5          1HG1      VAL   5  20.431   3.652   1.216
   43   2HG1  VAL   5          2HG1      VAL   5  21.856   2.721   1.676
   44   3HG1  VAL   5          3HG1      VAL   5  20.933   2.269   0.243
   45   1HG2  VAL   5          1HG2      VAL   5  19.066   2.069   3.995
   46   2HG2  VAL   5          2HG2      VAL   5  20.740   1.517   4.087
   47   3HG2  VAL   5          3HG2      VAL   5  20.384   3.185   3.635
   48    H    THR   6           H        THR   6  16.830   2.031  -0.266
   49    HA   THR   6           HA       THR   6  18.196   0.141  -2.064
   50    HB   THR   6           HB       THR   6  15.557  -0.059  -2.796
   51    HG1  THR   6           HG1      THR   6  14.523  -0.522  -0.744
   52   1HG2  THR   6          1HG2      THR   6  17.492  -1.749  -1.471
   53   2HG2  THR   6          2HG2      THR   6  15.838  -2.106  -0.970
   54   3HG2  THR   6          3HG2      THR   6  16.273  -2.152  -2.680
   55    H    LYS   7           H        LYS   7  17.136   3.256  -1.620
   56    HA   LYS   7           HA       LYS   7  17.051   5.068  -2.993
   57   1HB   LYS   7          1HB       LYS   7  18.661   3.179  -4.415
   58   2HB   LYS   7          2HB       LYS   7  17.623   4.010  -5.566
   59   1HG   LYS   7          1HG       LYS   7  18.643   5.983  -3.841
   60   2HG   LYS   7          2HG       LYS   7  19.995   4.935  -4.277
   61   1HD   LYS   7          1HD       LYS   7  19.731   5.360  -6.565
   62   2HD   LYS   7          2HD       LYS   7  18.094   5.984  -6.351
   63   1HE   LYS   7          1HE       LYS   7  20.003   7.507  -4.811
   64   2HE   LYS   7          2HE       LYS   7  20.457   7.459  -6.514
   65   1HZ   LYS   7          1HZ       LYS   7  18.111   8.138  -7.003
   66   2HZ   LYS   7          2HZ       LYS   7  17.912   8.428  -5.347
   67   3HZ   LYS   7          3HZ       LYS   7  19.050   9.313  -6.232
   68    H    CYS   8           H        CYS   8  14.705   3.817  -2.451
   69    HA   CYS   8           HA       CYS   8  13.093   4.616  -4.686
   70   1HB   CYS   8          1HB       CYS   8  13.832   2.150  -5.075
   71   2HB   CYS   8          2HB       CYS   8  12.674   1.776  -3.804
   72    H    ASN   9           H        ASN   9  12.048   6.025  -3.362
   73    HA   ASN   9           HA       ASN   9  11.289   5.983  -0.817
   74   1HB   ASN   9          1HB       ASN   9   8.960   6.916  -1.769
   75   2HB   ASN   9          2HB       ASN   9  10.450   7.855  -1.813
   76   1HD2  ASN   9          2HD2      ASN   9   8.656   5.468  -3.723
   77   2HD2  ASN   9          1HD2      ASN   9   9.016   6.171  -5.259
   78    H    ILE  10           H        ILE  10   9.862   3.984  -3.318
   79    HA   ILE  10           HA       ILE  10   8.479   2.457  -1.222
   80    HB   ILE  10           HB       ILE  10   6.907   3.983  -2.527
   81   1HG1  ILE  10          1HG1      ILE  10   6.071   1.144  -2.902
   82   2HG1  ILE  10          2HG1      ILE  10   6.487   1.673  -1.275
   83   1HG2  ILE  10          1HG2      ILE  10   8.005   3.489  -4.730
   84   2HG2  ILE  10          2HG2      ILE  10   7.251   1.895  -4.670
   85   3HG2  ILE  10          3HG2      ILE  10   6.248   3.344  -4.723
   86   1HD1  ILE  10          1HD1      ILE  10   4.492   3.105  -2.997
   87   2HD1  ILE  10          2HD1      ILE  10   4.062   1.804  -1.886
   88   3HD1  ILE  10          3HD1      ILE  10   4.775   3.293  -1.266
   89    H    THR  11           H        THR  11   9.177   0.431  -1.247
   90    HA   THR  11           HA       THR  11   9.934  -0.767  -3.830
   91    HB   THR  11           HB       THR  11  11.891  -0.285  -2.366
   92    HG1  THR  11           HG1      THR  11  11.452  -3.068  -2.594
   93   1HG2  THR  11          1HG2      THR  11  10.298  -1.794  -0.421
   94   2HG2  THR  11          2HG2      THR  11  11.998  -2.254  -0.530
   95   3HG2  THR  11          3HG2      THR  11  11.556  -0.584  -0.174
   96    H    CYS  12           H        CYS  12   9.562  -3.025  -4.066
   97    HA   CYS  12           HA       CYS  12   7.315  -3.963  -2.439
   98   1HB   CYS  12          1HB       CYS  12   8.358  -4.922  -5.112
   99   2HB   CYS  12          2HB       CYS  12   6.968  -5.601  -4.274
  100    H    SER  13           H        SER  13   9.183  -4.287  -0.794
  101    HA   SER  13           HA       SER  13  10.863  -6.572  -1.174
  102   1HB   SER  13          1HB       SER  13  10.746  -6.115   1.563
  103   2HB   SER  13          2HB       SER  13  11.929  -5.433   0.445
  104    HG   SER  13           HG       SER  13  10.971  -3.553   0.570
  105    H    LYS  14           H        LYS  14   7.657  -6.036   0.000
  106    HA   LYS  14           HA       LYS  14   7.313  -8.905   0.350
  107   1HB   LYS  14          1HB       LYS  14   7.735  -7.315   2.577
  108   2HB   LYS  14          2HB       LYS  14   5.982  -7.438   2.496
  109   1HG   LYS  14          1HG       LYS  14   6.798  -9.189   3.894
  110   2HG   LYS  14          2HG       LYS  14   6.217  -9.908   2.390
  111   1HD   LYS  14          1HD       LYS  14   8.691  -9.680   1.630
  112   2HD   LYS  14          2HD       LYS  14   9.027  -9.544   3.357
  113   1HE   LYS  14          1HE       LYS  14   9.264 -11.829   2.869
  114   2HE   LYS  14          2HE       LYS  14   7.676 -11.686   3.622
  115   1HZ   LYS  14          1HZ       LYS  14   7.681 -11.421   0.743
  116   2HZ   LYS  14          2HZ       LYS  14   8.144 -12.947   1.308
  117   3HZ   LYS  14          3HZ       LYS  14   6.644 -12.303   1.750
  118    H    MET  15           H        MET  15   4.786  -9.040   1.267
  119    HA   MET  15           HA       MET  15   3.221  -7.371  -0.587
  120   1HB   MET  15          1HB       MET  15   2.495 -10.220   0.047
  121   2HB   MET  15          2HB       MET  15   1.927  -9.213  -1.277
  122   1HG   MET  15          1HG       MET  15   4.814  -9.653  -1.276
  123   2HG   MET  15          2HG       MET  15   3.856 -11.122  -1.460
  124   1HE   MET  15          1HE       MET  15   5.524  -8.330  -2.934
  125   2HE   MET  15          2HE       MET  15   5.880  -9.736  -3.937
  126   3HE   MET  15          3HE       MET  15   5.062  -8.339  -4.636
  127    H    THR  16           H        THR  16   1.134  -6.801   0.063
  128    HA   THR  16           HA       THR  16   0.755  -6.803   2.947
  129    HB   THR  16           HB       THR  16   0.486  -4.748   1.465
  130    HG1  THR  16           HG1      THR  16  -0.601  -5.328   3.657
  131   1HG2  THR  16          1HG2      THR  16  -1.903  -6.305   0.596
  132   2HG2  THR  16          2HG2      THR  16  -1.979  -4.546   0.701
  133   3HG2  THR  16          3HG2      THR  16  -0.796  -5.317  -0.355
  134    H    SER  17           H        SER  17  -1.946  -6.662   3.230
  135    HA   SER  17           HA       SER  17  -2.770  -9.390   2.516
  136   1HB   SER  17          1HB       SER  17  -2.834  -7.955   4.962
  137   2HB   SER  17          2HB       SER  17  -4.507  -8.201   4.460
  138    HG   SER  17           HG       SER  17  -2.753 -10.365   4.272
  139    H    LYS  18           H        LYS  18  -5.391  -9.423   2.708
  140    HA   LYS  18           HA       LYS  18  -6.284  -8.165   0.339
  141   1HB   LYS  18          1HB       LYS  18  -7.356 -10.181   0.854
  142   2HB   LYS  18          2HB       LYS  18  -7.645  -9.710   2.523
  143   1HG   LYS  18          1HG       LYS  18  -9.598  -8.757   2.035
  144   2HG   LYS  18          2HG       LYS  18  -8.953  -7.959   0.598
  145   1HD   LYS  18          1HD       LYS  18  -9.190 -10.008  -0.680
  146   2HD   LYS  18          2HD       LYS  18  -9.746 -10.867   0.758
  147   1HE   LYS  18          1HE       LYS  18 -11.337  -8.524   0.390
  148   2HE   LYS  18          2HE       LYS  18 -11.285  -9.430  -1.122
  149   1HZ   LYS  18          1HZ       LYS  18 -11.954 -11.416   0.136
  150   2HZ   LYS  18          2HZ       LYS  18 -12.100 -10.476   1.536
  151   3HZ   LYS  18          3HZ       LYS  18 -13.113 -10.187   0.212
  152    H    ILE  19           H        ILE  19  -6.992  -6.168   0.025
  153    HA   ILE  19           HA       ILE  19  -8.078  -4.678   2.324
  154    HB   ILE  19           HB       ILE  19  -6.447  -3.534   0.055
  155   1HG1  ILE  19          1HG1      ILE  19  -5.629  -3.551   2.944
  156   2HG1  ILE  19          2HG1      ILE  19  -5.313  -4.956   1.929
  157   1HG2  ILE  19          1HG2      ILE  19  -8.301  -2.130   1.130
  158   2HG2  ILE  19          2HG2      ILE  19  -7.265  -2.101   2.556
  159   3HG2  ILE  19          3HG2      ILE  19  -6.686  -1.430   1.032
  160   1HD1  ILE  19          1HD1      ILE  19  -4.052  -3.522   0.383
  161   2HD1  ILE  19          2HD1      ILE  19  -4.321  -2.155   1.465
  162   3HD1  ILE  19          3HD1      ILE  19  -3.373  -3.537   2.012
  163    HA   PRO  20           HA       PRO  20 -11.785  -4.251  -0.046
  164   1HB   PRO  20          1HB       PRO  20 -12.068  -1.671   1.377
  165   2HB   PRO  20          2HB       PRO  20 -13.165  -3.049   1.325
  166   1HG   PRO  20          1HG       PRO  20 -11.721  -2.493   3.502
  167   2HG   PRO  20          2HG       PRO  20 -12.049  -4.156   3.001
  168   1HD   PRO  20          1HD       PRO  20  -9.550  -2.552   2.713
  169   2HD   PRO  20          2HD       PRO  20  -9.746  -4.278   3.079
  170    H    VAL  21           H        VAL  21 -12.308  -3.350  -1.961
  171    HA   VAL  21           HA       VAL  21 -10.483  -1.592  -3.248
  172    HB   VAL  21           HB       VAL  21 -13.209  -1.860  -4.381
  173   1HG1  VAL  21          1HG1      VAL  21 -11.200  -0.808  -5.499
  174   2HG1  VAL  21          2HG1      VAL  21 -10.538  -2.437  -5.634
  175   3HG1  VAL  21          3HG1      VAL  21 -12.057  -2.035  -6.434
  176   1HG2  VAL  21          1HG2      VAL  21 -11.386  -4.201  -3.915
  177   2HG2  VAL  21          2HG2      VAL  21 -13.096  -4.046  -3.515
  178   3HG2  VAL  21          3HG2      VAL  21 -12.593  -4.180  -5.200
  179    H    ALA  22           H        ALA  22 -13.368  -1.138  -1.403
  180    HA   ALA  22           HA       ALA  22 -14.115   1.410  -2.355
  181   1HB   ALA  22          1HB       ALA  22 -14.831  -0.328  -0.120
  182   2HB   ALA  22          2HB       ALA  22 -14.959   1.393   0.248
  183   3HB   ALA  22          3HB       ALA  22 -15.845   0.714  -1.117
  184    H    LEU  23           H        LEU  23 -11.381   0.449  -0.681
  185    HA   LEU  23           HA       LEU  23 -11.022   3.082   0.571
  186   1HB   LEU  23          1HB       LEU  23  -9.638   0.440   1.002
  187   2HB   LEU  23          2HB       LEU  23  -9.054   1.944   1.690
  188    HG   LEU  23           HG       LEU  23 -10.531   0.359   3.125
  189   1HD1  LEU  23          1HD1      LEU  23  -9.753   2.656   3.708
  190   2HD1  LEU  23          2HD1      LEU  23 -11.244   3.281   3.002
  191   3HD1  LEU  23          3HD1      LEU  23 -11.312   2.215   4.406
  192   1HD2  LEU  23          1HD2      LEU  23 -12.300   0.195   1.370
  193   2HD2  LEU  23          2HD2      LEU  23 -12.888   0.681   2.958
  194   3HD2  LEU  23          3HD2      LEU  23 -12.690   1.885   1.684
  195    H    LEU  24           H        LEU  24  -9.995   1.108  -2.031
  196    HA   LEU  24           HA       LEU  24  -7.468   2.449  -2.433
  197   1HB   LEU  24          1HB       LEU  24  -8.936   0.683  -4.384
  198   2HB   LEU  24          2HB       LEU  24  -7.227   1.074  -4.376
  199    HG   LEU  24           HG       LEU  24  -8.573  -0.498  -2.181
  200   1HD1  LEU  24          1HD1      LEU  24  -7.892  -1.309  -4.851
  201   2HD1  LEU  24          2HD1      LEU  24  -6.908  -2.176  -3.672
  202   3HD1  LEU  24          3HD1      LEU  24  -8.667  -2.229  -3.563
  203   1HD2  LEU  24          1HD2      LEU  24  -5.939   0.612  -2.573
  204   2HD2  LEU  24          2HD2      LEU  24  -6.633  -0.160  -1.148
  205   3HD2  LEU  24          3HD2      LEU  24  -5.871  -1.142  -2.401
  206    H    ILE  25           H        ILE  25  -7.117   4.231  -3.600
  207    HA   ILE  25           HA       ILE  25  -9.355   5.282  -5.204
  208    HB   ILE  25           HB       ILE  25  -8.583   7.507  -4.769
  209   1HG1  ILE  25          1HG1      ILE  25  -6.290   6.239  -3.254
  210   2HG1  ILE  25          2HG1      ILE  25  -6.164   7.039  -4.817
  211   1HG2  ILE  25          1HG2      ILE  25  -9.967   6.348  -3.043
  212   2HG2  ILE  25          2HG2      ILE  25  -8.481   6.020  -2.152
  213   3HG2  ILE  25          3HG2      ILE  25  -8.997   7.684  -2.423
  214   1HD1  ILE  25          1HD1      ILE  25  -7.218   8.488  -2.425
  215   2HD1  ILE  25          2HD1      ILE  25  -5.487   8.337  -2.721
  216   3HD1  ILE  25          3HD1      ILE  25  -6.517   9.143  -3.905
  217    H    HIS  26           H        HIS  26  -5.976   4.461  -5.167
  218    HA   HIS  26           HA       HIS  26  -5.880   4.721  -8.051
  219   1HB   HIS  26          1HB       HIS  26  -4.778   6.749  -6.363
  220   2HB   HIS  26          2HB       HIS  26  -3.455   5.905  -7.160
  221    HD1  HIS  26           HD1      HIS  26  -3.061   6.409  -9.595
  222    HD2  HIS  26           HD2      HIS  26  -6.634   7.991  -8.181
  223    HE1  HIS  26           HE1      HIS  26  -3.913   7.895 -11.435
  224    HE2  HIS  26           HE2      HIS  26  -6.118   8.774 -10.591
  225    H    TYR  27           H        TYR  27  -4.149   3.581  -9.014
  226    HA   TYR  27           HA       TYR  27  -2.566   1.889  -7.208
  227   1HB   TYR  27          1HB       TYR  27  -3.066  -0.092  -8.410
  228   2HB   TYR  27          2HB       TYR  27  -4.617   0.698  -8.143
  229    HD1  TYR  27           HD1      TYR  27  -5.790   1.798 -10.013
  230    HD2  TYR  27           HD2      TYR  27  -2.167  -0.365 -10.622
  231    HE1  TYR  27           HE1      TYR  27  -6.247   1.728 -12.432
  232    HE2  TYR  27           HE2      TYR  27  -2.613  -0.439 -13.044
  233    HH   TYR  27           HH       TYR  27  -4.477  -0.267 -14.581
  234    H    GLN  28           H        GLN  28  -0.520   2.422  -7.592
  235    HA   GLN  28           HA       GLN  28   0.284   3.209 -10.293
  236   1HB   GLN  28          1HB       GLN  28   2.319   3.306  -8.186
  237   2HB   GLN  28          2HB       GLN  28   1.831   4.540  -9.338
  238   1HG   GLN  28          1HG       GLN  28  -0.320   4.522  -7.717
  239   2HG   GLN  28          2HG       GLN  28   0.947   4.073  -6.575
  240   1HE2  GLN  28          2HE2      GLN  28   0.136   6.215  -5.724
  241   2HE2  GLN  28          1HE2      GLN  28   0.966   7.628  -6.274
  242    H    GLN  29           H        GLN  29   2.962   2.612 -10.245
  243    HA   GLN  29           HA       GLN  29   3.073  -0.312  -9.956
  244   1HB   GLN  29          1HB       GLN  29   2.953   1.074 -12.400
  245   2HB   GLN  29          2HB       GLN  29   4.629   0.576 -12.219
  246   1HG   GLN  29          1HG       GLN  29   3.755  -1.233 -13.298
  247   2HG   GLN  29          2HG       GLN  29   3.569  -1.733 -11.618
  248   1HE2  GLN  29          2HE2      GLN  29   2.088  -2.581 -13.972
  249   2HE2  GLN  29          1HE2      GLN  29   0.428  -2.218 -13.656
  250    H    ASN  30           H        ASN  30   4.790  -0.966  -8.846
  251    HA   ASN  30           HA       ASN  30   6.694   0.814  -7.800
  252   1HB   ASN  30          1HB       ASN  30   6.282  -1.147  -6.550
  253   2HB   ASN  30          2HB       ASN  30   6.562  -2.191  -7.940
  254   1HD2  ASN  30          2HD2      ASN  30   8.274  -3.377  -7.499
  255   2HD2  ASN  30          1HD2      ASN  30   9.783  -2.792  -6.895
  256    H    GLN  31           H        GLN  31   8.581   1.547  -8.545
  257    HA   GLN  31           HA       GLN  31   9.370   1.377 -11.176
  258   1HB   GLN  31          1HB       GLN  31  10.511   2.376  -8.698
  259   2HB   GLN  31          2HB       GLN  31  11.752   1.753  -9.776
  260   1HG   GLN  31          1HG       GLN  31  11.461   3.399 -11.289
  261   2HG   GLN  31          2HG       GLN  31   9.725   3.507 -11.001
  262   1HE2  GLN  31          2HE2      GLN  31   9.154   5.397 -10.232
  263   2HE2  GLN  31          1HE2      GLN  31  10.063   6.375  -9.136
  264    H    ALA  32           H        ALA  32  10.511  -0.016 -12.394
  265    HA   ALA  32           HA       ALA  32  10.940  -2.658 -11.525
  266   1HB   ALA  32          1HB       ALA  32  10.543  -1.982 -13.880
  267   2HB   ALA  32          2HB       ALA  32  12.176  -1.316 -13.925
  268   3HB   ALA  32          3HB       ALA  32  11.937  -3.046 -13.679
  269    H    SER  33           H        SER  33  12.750   0.124 -11.004
  270    HA   SER  33           HA       SER  33  15.289  -1.298 -10.754
  271   1HB   SER  33          1HB       SER  33  16.314   0.709 -11.006
  272   2HB   SER  33          2HB       SER  33  14.748   1.216 -11.640
  273    HG   SER  33           HG       SER  33  14.222   1.979  -9.567
  274    H    CYS  34           H        CYS  34  12.833  -1.514  -8.940
  275    HA   CYS  34           HA       CYS  34  14.304  -1.119  -6.422
  276   1HB   CYS  34          1HB       CYS  34  11.318  -0.878  -6.494
  277   2HB   CYS  34          2HB       CYS  34  12.460  -0.220  -5.328
  278    H    GLY  35           H        GLY  35  12.062  -2.209  -4.891
  279   1HA   GLY  35          1HA       GLY  35  12.774  -4.848  -4.672
  280   2HA   GLY  35          2HA       GLY  35  11.194  -4.231  -4.216
  281    H    LYS  36           H        LYS  36  11.002  -6.680  -4.950
  282    HA   LYS  36           HA       LYS  36  11.022  -7.530  -7.538
  283   1HB   LYS  36          1HB       LYS  36   8.951  -8.081  -5.410
  284   2HB   LYS  36          2HB       LYS  36   9.043  -8.960  -6.930
  285   1HG   LYS  36          1HG       LYS  36  10.191 -10.356  -5.520
  286   2HG   LYS  36          2HG       LYS  36  11.506  -9.400  -6.209
  287   1HD   LYS  36          1HD       LYS  36  11.843  -8.214  -4.265
  288   2HD   LYS  36          2HD       LYS  36  10.191  -8.464  -3.702
  289   1HE   LYS  36          1HE       LYS  36  11.352  -9.863  -2.298
  290   2HE   LYS  36          2HE       LYS  36  10.912 -10.971  -3.597
  291   1HZ   LYS  36          1HZ       LYS  36  13.118 -10.584  -4.573
  292   2HZ   LYS  36          2HZ       LYS  36  13.531  -9.614  -3.250
  293   3HZ   LYS  36          3HZ       LYS  36  13.213 -11.259  -3.025
  294    H    ARG  37           H        ARG  37   9.719  -7.391  -9.325
  295    HA   ARG  37           HA       ARG  37   8.300  -4.994  -9.735
  296   1HB   ARG  37          1HB       ARG  37   7.560  -6.107 -11.873
  297   2HB   ARG  37          2HB       ARG  37   9.299  -6.044 -11.621
  298   1HG   ARG  37          1HG       ARG  37   9.272  -8.370 -10.866
  299   2HG   ARG  37          2HG       ARG  37   7.529  -8.432 -11.134
  300   1HD   ARG  37          1HD       ARG  37   9.052  -9.369 -12.967
  301   2HD   ARG  37          2HD       ARG  37   7.760  -8.271 -13.452
  302    HE   ARG  37           HE       ARG  37   9.358  -6.852 -14.234
  303   1HH1  ARG  37          1HH1      ARG  37  10.808  -8.931 -11.845
  304   2HH1  ARG  37          2HH1      ARG  37  12.405  -8.306 -12.082
  305   1HH2  ARG  37          1HH2      ARG  37  11.458  -6.021 -14.552
  306   2HH2  ARG  37          2HH2      ARG  37  12.775  -6.650 -13.621
  307    H    ALA  38           H        ALA  38   6.691  -4.824  -8.153
  308    HA   ALA  38           HA       ALA  38   4.437  -6.701  -8.445
  309   1HB   ALA  38          1HB       ALA  38   5.795  -6.190  -6.162
  310   2HB   ALA  38          2HB       ALA  38   4.498  -5.000  -6.048
  311   3HB   ALA  38          3HB       ALA  38   4.111  -6.712  -6.221
  312    H    ILE  39           H        ILE  39   2.652  -5.021  -6.925
  313    HA   ILE  39           HA       ILE  39   2.224  -2.842  -8.866
  314    HB   ILE  39           HB       ILE  39   0.186  -4.606  -7.513
  315   1HG1  ILE  39          1HG1      ILE  39   1.414  -5.303  -9.672
  316   2HG1  ILE  39          2HG1      ILE  39  -0.345  -5.393  -9.662
  317   1HG2  ILE  39          1HG2      ILE  39  -0.156  -2.002  -8.964
  318   2HG2  ILE  39          2HG2      ILE  39  -1.458  -3.186  -8.851
  319   3HG2  ILE  39          3HG2      ILE  39  -0.781  -2.474  -7.385
  320   1HD1  ILE  39          1HD1      ILE  39  -0.308  -3.088 -10.729
  321   2HD1  ILE  39          2HD1      ILE  39   1.412  -3.367 -10.999
  322   3HD1  ILE  39          3HD1      ILE  39   0.218  -4.446 -11.723
  323    H    ILE  40           H        ILE  40   1.235  -0.921  -8.083
  324    HA   ILE  40           HA       ILE  40   1.713  -0.478  -5.217
  325    HB   ILE  40           HB       ILE  40   1.353   1.682  -7.277
  326   1HG1  ILE  40          1HG1      ILE  40   3.191   0.335  -8.077
  327   2HG1  ILE  40          2HG1      ILE  40   3.849   1.801  -7.355
  328   1HG2  ILE  40          1HG2      ILE  40   2.210   1.524  -4.443
  329   2HG2  ILE  40          2HG2      ILE  40   2.989   2.727  -5.470
  330   3HG2  ILE  40          3HG2      ILE  40   1.237   2.742  -5.267
  331   1HD1  ILE  40          1HD1      ILE  40   3.721  -0.133  -5.315
  332   2HD1  ILE  40          2HD1      ILE  40   4.417  -0.913  -6.736
  333   3HD1  ILE  40          3HD1      ILE  40   5.150   0.553  -6.086
  334    H    LEU  41           H        LEU  41   0.077  -0.020  -3.885
  335    HA   LEU  41           HA       LEU  41  -2.521   0.699  -5.075
  336   1HB   LEU  41          1HB       LEU  41  -1.842  -1.275  -2.932
  337   2HB   LEU  41          2HB       LEU  41  -3.405  -0.482  -2.914
  338    HG   LEU  41           HG       LEU  41  -2.306  -2.423  -4.914
  339   1HD1  LEU  41          1HD1      LEU  41  -4.119  -2.561  -2.786
  340   2HD1  LEU  41          2HD1      LEU  41  -5.090  -2.638  -4.254
  341   3HD1  LEU  41          3HD1      LEU  41  -3.786  -3.798  -3.998
  342   1HD2  LEU  41          1HD2      LEU  41  -4.344  -0.282  -5.367
  343   2HD2  LEU  41          2HD2      LEU  41  -3.047  -0.838  -6.427
  344   3HD2  LEU  41          3HD2      LEU  41  -4.483  -1.834  -6.193
  345    H    GLU  42           H        GLU  42  -3.126   2.672  -4.516
  346    HA   GLU  42           HA       GLU  42  -2.218   3.760  -1.935
  347   1HB   GLU  42          1HB       GLU  42  -1.423   5.018  -3.878
  348   2HB   GLU  42          2HB       GLU  42  -3.077   5.213  -4.443
  349   1HG   GLU  42          1HG       GLU  42  -3.429   6.324  -2.105
  350   2HG   GLU  42          2HG       GLU  42  -1.680   6.534  -2.172
  351    H    THR  43           H        THR  43  -3.700   4.081  -0.397
  352    HA   THR  43           HA       THR  43  -6.533   3.982  -1.175
  353    HB   THR  43           HB       THR  43  -7.036   3.140   0.958
  354    HG1  THR  43           HG1      THR  43  -6.064   4.055   2.560
  355   1HG2  THR  43          1HG2      THR  43  -4.353   2.027   0.188
  356   2HG2  THR  43          2HG2      THR  43  -5.401   1.333   1.423
  357   3HG2  THR  43          3HG2      THR  43  -5.942   1.403  -0.255
  358    H    ARG  44           H        ARG  44  -8.047   5.297   0.095
  359    HA   ARG  44           HA       ARG  44  -7.601   7.999  -0.118
  360   1HB   ARG  44          1HB       ARG  44  -9.518   6.394   1.541
  361   2HB   ARG  44          2HB       ARG  44  -9.488   8.148   1.668
  362   1HG   ARG  44          1HG       ARG  44  -9.841   8.248  -0.806
  363   2HG   ARG  44          2HG       ARG  44 -10.085   6.500  -0.775
  364   1HD   ARG  44          1HD       ARG  44 -12.061   8.347  -0.491
  365   2HD   ARG  44          2HD       ARG  44 -12.147   6.684   0.093
  366    HE   ARG  44           HE       ARG  44 -11.927   7.455   2.256
  367   1HH1  ARG  44          1HH1      ARG  44 -11.342  10.041   0.001
  368   2HH1  ARG  44          2HH1      ARG  44 -11.382  11.280   1.211
  369   1HH2  ARG  44          1HH2      ARG  44 -11.983   9.077   3.859
  370   2HH2  ARG  44          2HH2      ARG  44 -11.748  10.731   3.404
  371    H    GLN  45           H        GLN  45  -6.449   5.888   2.327
  372    HA   GLN  45           HA       GLN  45  -5.837   8.143   4.104
  373   1HB   GLN  45          1HB       GLN  45  -5.791   5.157   4.568
  374   2HB   GLN  45          2HB       GLN  45  -5.223   6.335   5.743
  375   1HG   GLN  45          1HG       GLN  45  -7.903   6.905   4.772
  376   2HG   GLN  45          2HG       GLN  45  -7.765   5.332   5.554
  377   1HE2  GLN  45          2HE2      GLN  45  -8.221   5.375   7.621
  378   2HE2  GLN  45          1HE2      GLN  45  -7.932   6.686   8.708
  379    H    HIS  46           H        HIS  46  -4.419   7.960   1.707
  380    HA   HIS  46           HA       HIS  46  -2.326   7.741   0.799
  381   1HB   HIS  46          1HB       HIS  46  -1.343   8.457   3.555
  382   2HB   HIS  46          2HB       HIS  46  -0.662   8.916   1.998
  383    HD1  HIS  46           HD1      HIS  46  -3.718   9.727   1.013
  384    HD2  HIS  46           HD2      HIS  46  -1.507  11.220   4.198
  385    HE1  HIS  46           HE1      HIS  46  -4.679  12.002   1.492
  386    HE2  HIS  46           HE2      HIS  46  -3.379  12.849   3.476
  387    H    ARG  47           H        ARG  47  -3.166   5.269   1.299
  388    HA   ARG  47           HA       ARG  47  -1.008   3.926   2.780
  389   1HB   ARG  47          1HB       ARG  47  -3.382   3.410   3.385
  390   2HB   ARG  47          2HB       ARG  47  -3.600   2.753   1.769
  391   1HG   ARG  47          1HG       ARG  47  -1.395   1.407   2.617
  392   2HG   ARG  47          2HG       ARG  47  -2.316   1.581   4.111
  393   1HD   ARG  47          1HD       ARG  47  -3.660   0.660   1.602
  394   2HD   ARG  47          2HD       ARG  47  -2.730  -0.475   2.580
  395    HE   ARG  47           HE       ARG  47  -5.306   0.611   3.184
  396   1HH1  ARG  47          1HH1      ARG  47  -2.366  -0.633   4.574
  397   2HH1  ARG  47          2HH1      ARG  47  -3.122  -1.134   6.050
  398   1HH2  ARG  47          1HH2      ARG  47  -6.313  -0.047   5.124
  399   2HH2  ARG  47          2HH2      ARG  47  -5.366  -0.801   6.363
  400    H    LEU  48           H        LEU  48   0.668   3.656   1.419
  401    HA   LEU  48           HA       LEU  48   0.129   2.565  -1.256
  402   1HB   LEU  48          1HB       LEU  48   2.715   3.757  -0.276
  403   2HB   LEU  48          2HB       LEU  48   2.266   3.397  -1.932
  404    HG   LEU  48           HG       LEU  48   0.880   5.478  -0.243
  405   1HD1  LEU  48          1HD1      LEU  48   3.224   5.685  -2.104
  406   2HD1  LEU  48          2HD1      LEU  48   2.157   7.054  -1.796
  407   3HD1  LEU  48          3HD1      LEU  48   3.050   6.317  -0.466
  408   1HD2  LEU  48          1HD2      LEU  48   0.665   4.547  -3.067
  409   2HD2  LEU  48          2HD2      LEU  48  -0.605   4.977  -1.922
  410   3HD2  LEU  48          3HD2      LEU  48   0.354   6.241  -2.692
  411    H    PHE  49           H        PHE  49   0.253   0.420  -1.314
  412    HA   PHE  49           HA       PHE  49   2.506  -0.878   0.069
  413   1HB   PHE  49          1HB       PHE  49  -0.388  -1.691   0.010
  414   2HB   PHE  49          2HB       PHE  49   0.881  -2.881   0.280
  415    HD1  PHE  49           HD1      PHE  49  -0.070   0.513   1.525
  416    HD2  PHE  49           HD2      PHE  49   1.353  -3.395   2.464
  417    HE1  PHE  49           HE1      PHE  49  -0.042   1.105   3.915
  418    HE2  PHE  49           HE2      PHE  49   1.385  -2.812   4.860
  419    HZ   PHE  49           HZ       PHE  49   0.689  -0.559   5.587
  420    H    CYS  50           H        CYS  50   3.072  -3.012  -0.845
  421    HA   CYS  50           HA       CYS  50   2.817  -2.938  -3.766
  422   1HB   CYS  50          1HB       CYS  50   4.905  -3.932  -1.883
  423   2HB   CYS  50          2HB       CYS  50   4.740  -4.746  -3.436
  424    H    ALA  51           H        ALA  51   1.111  -4.106  -4.407
  425    HA   ALA  51           HA       ALA  51   0.656  -6.730  -3.158
  426   1HB   ALA  51          1HB       ALA  51  -1.166  -4.891  -3.285
  427   2HB   ALA  51          2HB       ALA  51  -1.317  -5.397  -4.967
  428   3HB   ALA  51          3HB       ALA  51  -1.595  -6.558  -3.669
  429    H    ASP  52           H        ASP  52   0.872  -8.559  -4.303
  430    HA   ASP  52           HA       ASP  52   2.139  -8.501  -6.842
  431   1HB   ASP  52          1HB       ASP  52   1.630 -10.428  -4.812
  432   2HB   ASP  52          2HB       ASP  52   1.027 -11.083  -6.332
  433    HA   PRO  53           HA       PRO  53  -1.331  -8.028  -9.552
  434   1HB   PRO  53          1HB       PRO  53   0.337  -9.726 -11.342
  435   2HB   PRO  53          2HB       PRO  53  -0.416  -8.158 -11.657
  436   1HG   PRO  53          1HG       PRO  53   2.205  -8.341 -11.227
  437   2HG   PRO  53          2HG       PRO  53   1.267  -6.982 -10.576
  438   1HD   PRO  53          1HD       PRO  53   2.340  -9.391  -9.176
  439   2HD   PRO  53          2HD       PRO  53   2.194  -7.719  -8.597
  440    H    LYS  54           H        LYS  54   0.027 -11.062  -8.587
  441    HA   LYS  54           HA       LYS  54  -1.913 -12.733  -9.863
  442   1HB   LYS  54          1HB       LYS  54  -0.123 -13.350  -7.506
  443   2HB   LYS  54          2HB       LYS  54  -0.974 -14.524  -8.498
  444   1HG   LYS  54          1HG       LYS  54   0.561 -12.946 -10.253
  445   2HG   LYS  54          2HG       LYS  54   1.601 -13.366  -8.891
  446   1HD   LYS  54          1HD       LYS  54   1.709 -15.520  -9.497
  447   2HD   LYS  54          2HD       LYS  54  -0.021 -15.601  -9.836
  448   1HE   LYS  54          1HE       LYS  54   1.296 -13.975 -11.802
  449   2HE   LYS  54          2HE       LYS  54   2.097 -15.541 -11.681
  450   1HZ   LYS  54          1HZ       LYS  54  -0.540 -16.178 -11.669
  451   2HZ   LYS  54          2HZ       LYS  54  -0.480 -14.886 -12.759
  452   3HZ   LYS  54          3HZ       LYS  54   0.482 -16.255 -13.016
  453    H    GLU  55           H        GLU  55  -1.575 -11.259  -6.680
  454    HA   GLU  55           HA       GLU  55  -3.504 -12.567  -5.235
  455   1HB   GLU  55          1HB       GLU  55  -3.161  -9.572  -5.157
  456   2HB   GLU  55          2HB       GLU  55  -3.652 -10.635  -3.845
  457   1HG   GLU  55          1HG       GLU  55  -1.344 -11.712  -4.110
  458   2HG   GLU  55          2HG       GLU  55  -0.935 -10.277  -5.049
  459    H    GLN  56           H        GLN  56  -5.578 -12.953  -5.585
  460    HA   GLN  56           HA       GLN  56  -7.085 -12.050  -7.694
  461   1HB   GLN  56          1HB       GLN  56  -7.636 -13.973  -6.195
  462   2HB   GLN  56          2HB       GLN  56  -8.192 -12.819  -4.990
  463   1HG   GLN  56          1HG       GLN  56  -9.339 -13.150  -7.755
  464   2HG   GLN  56          2HG       GLN  56 -10.036 -13.792  -6.268
  465   1HE2  GLN  56          2HE2      GLN  56  -9.735 -11.093  -8.321
  466   2HE2  GLN  56          1HE2      GLN  56 -10.661  -9.977  -7.382
  467    H    TRP  57           H        TRP  57  -7.312 -10.844  -4.339
  468    HA   TRP  57           HA       TRP  57  -9.180  -8.862  -4.738
  469   1HB   TRP  57          1HB       TRP  57  -8.457  -7.893  -2.701
  470   2HB   TRP  57          2HB       TRP  57  -8.151  -9.619  -2.545
  471    HD1  TRP  57           HD1      TRP  57  -5.504 -10.379  -2.899
  472    HE1  TRP  57           HE1      TRP  57  -3.359  -9.121  -2.240
  473    HE3  TRP  57           HE3      TRP  57  -7.442  -5.667  -2.421
  474    HZ2  TRP  57           HZ2      TRP  57  -2.588  -6.477  -1.599
  475    HZ3  TRP  57           HZ3      TRP  57  -5.935  -3.826  -1.780
  476    HH2  TRP  57           HH2      TRP  57  -3.556  -4.225  -1.378
  477    H    VAL  58           H        VAL  58  -5.969  -8.966  -5.929
  478    HA   VAL  58           HA       VAL  58  -5.781  -6.092  -6.304
  479    HB   VAL  58           HB       VAL  58  -3.937  -8.342  -7.110
  480   1HG1  VAL  58          1HG1      VAL  58  -3.846  -6.459  -8.710
  481   2HG1  VAL  58          2HG1      VAL  58  -3.464  -5.375  -7.372
  482   3HG1  VAL  58          3HG1      VAL  58  -2.345  -6.666  -7.807
  483   1HG2  VAL  58          1HG2      VAL  58  -4.144  -7.748  -4.675
  484   2HG2  VAL  58          2HG2      VAL  58  -2.522  -7.598  -5.351
  485   3HG2  VAL  58          3HG2      VAL  58  -3.504  -6.157  -5.083
  486    H    LYS  59           H        LYS  59  -6.266  -9.006  -8.244
  487    HA   LYS  59           HA       LYS  59  -6.187  -7.789 -10.777
  488   1HB   LYS  59          1HB       LYS  59  -7.822 -10.191  -9.954
  489   2HB   LYS  59          2HB       LYS  59  -7.327  -9.781 -11.584
  490   1HG   LYS  59          1HG       LYS  59  -5.063 -10.239 -11.085
  491   2HG   LYS  59          2HG       LYS  59  -5.401 -10.392  -9.363
  492   1HD   LYS  59          1HD       LYS  59  -6.522 -12.424  -9.650
  493   2HD   LYS  59          2HD       LYS  59  -6.733 -12.167 -11.382
  494   1HE   LYS  59          1HE       LYS  59  -4.684 -12.964 -11.880
  495   2HE   LYS  59          2HE       LYS  59  -3.942 -12.237 -10.456
  496   1HZ   LYS  59          1HZ       LYS  59  -5.734 -14.363  -9.790
  497   2HZ   LYS  59          2HZ       LYS  59  -4.485 -14.882 -10.804
  498   3HZ   LYS  59          3HZ       LYS  59  -4.122 -14.132  -9.334
  499    H    ASP  60           H        ASP  60  -8.917  -8.512  -8.617
  500    HA   ASP  60           HA       ASP  60 -10.845  -7.268 -10.324
  501   1HB   ASP  60          1HB       ASP  60 -11.557  -9.026  -8.817
  502   2HB   ASP  60          2HB       ASP  60 -10.991  -8.111  -7.423
  503    H    ALA  61           H        ALA  61  -9.206  -6.328  -7.306
  504    HA   ALA  61           HA       ALA  61 -10.453  -3.917  -6.834
  505   1HB   ALA  61          1HB       ALA  61  -7.616  -4.788  -6.357
  506   2HB   ALA  61          2HB       ALA  61  -8.220  -3.214  -5.837
  507   3HB   ALA  61          3HB       ALA  61  -8.945  -4.691  -5.202
  508    H    MET  62           H        MET  62  -7.745  -4.613  -9.005
  509    HA   MET  62           HA       MET  62  -7.328  -1.928  -9.813
  510   1HB   MET  62          1HB       MET  62  -6.493  -4.601 -10.876
  511   2HB   MET  62          2HB       MET  62  -6.228  -3.158 -11.844
  512   1HG   MET  62          1HG       MET  62  -4.695  -2.279 -10.362
  513   2HG   MET  62          2HG       MET  62  -5.302  -3.236  -9.010
  514   1HE   MET  62          1HE       MET  62  -4.708  -4.293 -12.554
  515   2HE   MET  62          2HE       MET  62  -3.431  -5.507 -12.482
  516   3HE   MET  62          3HE       MET  62  -5.033  -5.874 -11.844
  517    H    GLN  63           H        GLN  63  -8.865  -4.660 -11.520
  518    HA   GLN  63           HA       GLN  63  -9.745  -3.400 -13.771
  519   1HB   GLN  63          1HB       GLN  63 -10.407  -5.785 -12.372
  520   2HB   GLN  63          2HB       GLN  63 -11.918  -4.996 -12.801
  521   1HG   GLN  63          1HG       GLN  63 -11.735  -5.847 -14.829
  522   2HG   GLN  63          2HG       GLN  63 -10.304  -4.850 -15.084
  523   1HE2  GLN  63          1HE2      GLN  63 -10.885  -7.668 -13.018
  524   2HE2  GLN  63          2HE2      GLN  63  -9.624  -8.639 -13.690
  525    H    HIS  64           H        HIS  64 -10.859  -3.000 -10.517
  526    HA   HIS  64           HA       HIS  64 -13.283  -1.627 -11.173
  527   1HB   HIS  64          1HB       HIS  64 -13.212  -2.725  -9.057
  528   2HB   HIS  64          2HB       HIS  64 -11.708  -1.922  -8.618
  529    HD1  HIS  64           HD1      HIS  64 -15.382  -1.176  -9.090
  530    HD2  HIS  64           HD2      HIS  64 -12.001   0.479  -7.331
  531    HE1  HIS  64           HE1      HIS  64 -16.212   0.784  -7.750
  532    HE2  HIS  64           HE2      HIS  64 -14.162   1.695  -6.603
  533    H    LEU  65           H        LEU  65 -10.111  -0.612  -9.934
  534    HA   LEU  65           HA       LEU  65 -10.654   2.156  -9.972
  535   1HB   LEU  65          1HB       LEU  65  -8.099   0.567 -10.000
  536   2HB   LEU  65          2HB       LEU  65  -8.099   2.320 -10.022
  537    HG   LEU  65           HG       LEU  65  -9.610   0.900  -7.872
  538   1HD1  LEU  65          1HD1      LEU  65  -6.630   1.351  -7.892
  539   2HD1  LEU  65          2HD1      LEU  65  -7.585   0.885  -6.482
  540   3HD1  LEU  65          3HD1      LEU  65  -7.458  -0.207  -7.862
  541   1HD2  LEU  65          1HD2      LEU  65  -9.100   3.553  -8.516
  542   2HD2  LEU  65          2HD2      LEU  65  -9.755   2.941  -6.997
  543   3HD2  LEU  65          3HD2      LEU  65  -8.020   3.208  -7.165
  544    H    ASP  66           H        ASP  66  -9.769  -0.087 -12.448
  545    HA   ASP  66           HA       ASP  66  -8.738   1.826 -14.303
  546   1HB   ASP  66          1HB       ASP  66  -9.559  -1.048 -14.445
  547   2HB   ASP  66          2HB       ASP  66  -9.345  -0.149 -15.943
  548    H    ARG  67           H        ARG  67 -11.746  -0.099 -14.405
  549    HA   ARG  67           HA       ARG  67 -13.018   1.155 -16.471
  550   1HB   ARG  67          1HB       ARG  67 -13.739  -0.733 -14.645
  551   2HB   ARG  67          2HB       ARG  67 -14.779   0.603 -14.171
  552   1HG   ARG  67          1HG       ARG  67 -15.722   0.716 -16.386
  553   2HG   ARG  67          2HG       ARG  67 -14.603  -0.527 -16.955
  554   1HD   ARG  67          1HD       ARG  67 -15.904  -2.168 -16.194
  555   2HD   ARG  67          2HD       ARG  67 -16.069  -1.397 -14.617
  556    HE   ARG  67           HE       ARG  67 -17.905  -1.222 -16.847
  557   1HH1  ARG  67          1HH1      ARG  67 -16.888   0.108 -13.793
  558   2HH1  ARG  67          2HH1      ARG  67 -18.407   0.877 -13.475
  559   1HH2  ARG  67          1HH2      ARG  67 -19.910  -0.215 -16.438
  560   2HH2  ARG  67          2HH2      ARG  67 -20.125   0.694 -14.979
  561    H    GLN  68           H        GLN  68 -12.783   2.244 -13.128
  562    HA   GLN  68           HA       GLN  68 -14.614   4.312 -13.122
  563   1HB   GLN  68          1HB       GLN  68 -12.178   3.644 -11.618
  564   2HB   GLN  68          2HB       GLN  68 -12.573   5.358 -11.630
  565   1HG   GLN  68          1HG       GLN  68 -14.600   5.027 -10.544
  566   2HG   GLN  68          2HG       GLN  68 -14.646   3.312 -10.950
  567   1HE2  GLN  68          2HE2      GLN  68 -12.634   2.109 -10.063
  568   2HE2  GLN  68          1HE2      GLN  68 -12.273   2.420  -8.402
  569    H    ALA  69           H        ALA  69 -11.115   4.707 -13.713
  570    HA   ALA  69           HA       ALA  69 -11.259   7.349 -14.608
  571   1HB   ALA  69          1HB       ALA  69  -9.229   5.722 -14.012
  572   2HB   ALA  69          2HB       ALA  69  -9.157   5.622 -15.771
  573   3HB   ALA  69          3HB       ALA  69  -9.026   7.188 -14.971
  574    H    ALA  70           H        ALA  70 -10.832   4.413 -16.596
  575    HA   ALA  70           HA       ALA  70 -10.998   5.497 -19.095
  576   1HB   ALA  70          1HB       ALA  70 -11.840   2.863 -17.981
  577   2HB   ALA  70          2HB       ALA  70 -12.236   3.254 -19.654
  578   3HB   ALA  70          3HB       ALA  70 -10.553   3.244 -19.124
  579    H    ALA  71           H        ALA  71 -13.605   4.995 -16.821
  580    HA   ALA  71           HA       ALA  71 -15.776   5.267 -18.570
  581   1HB   ALA  71          1HB       ALA  71 -15.821   4.480 -16.166
  582   2HB   ALA  71          2HB       ALA  71 -15.774   6.182 -15.708
  583   3HB   ALA  71          3HB       ALA  71 -17.125   5.561 -16.656
  584    H    LEU  72           H        LEU  72 -13.446   7.512 -17.661
  585    HA   LEU  72           HA       LEU  72 -15.204   9.767 -18.368
  586   1HB   LEU  72          1HB       LEU  72 -12.731   9.638 -16.659
  587   2HB   LEU  72          2HB       LEU  72 -13.359  11.154 -17.278
  588    HG   LEU  72           HG       LEU  72 -14.268  11.081 -15.153
  589   1HD1  LEU  72          1HD1      LEU  72 -16.018  11.393 -16.860
  590   2HD1  LEU  72          2HD1      LEU  72 -16.351   9.663 -16.804
  591   3HD1  LEU  72          3HD1      LEU  72 -16.633  10.660 -15.379
  592   1HD2  LEU  72          1HD2      LEU  72 -13.706   8.356 -15.300
  593   2HD2  LEU  72          2HD2      LEU  72 -14.314   9.246 -13.906
  594   3HD2  LEU  72          3HD2      LEU  72 -15.442   8.457 -15.006
  595    H    THR  73           H        THR  73 -11.690   9.189 -18.435
  596    HA   THR  73           HA       THR  73 -11.675   9.680 -21.315
  597    HB   THR  73           HB       THR  73 -11.313  11.885 -20.383
  598    HG1  THR  73           HG1      THR  73  -9.979  11.920 -22.005
  599   1HG2  THR  73          1HG2      THR  73 -10.290  10.819 -18.192
  600   2HG2  THR  73          2HG2      THR  73  -8.781  11.130 -19.050
  601   3HG2  THR  73          3HG2      THR  73  -9.894  12.457 -18.714
  602    H    ARG  74           H        ARG  74  -9.709   9.010 -22.362
  603    HA   ARG  74           HA       ARG  74  -8.381   6.851 -20.888
  604   1HB   ARG  74          1HB       ARG  74  -7.557   6.310 -23.300
  605   2HB   ARG  74          2HB       ARG  74  -9.214   5.938 -22.848
  606   1HG   ARG  74          1HG       ARG  74 -10.039   7.857 -23.992
  607   2HG   ARG  74          2HG       ARG  74  -8.403   8.461 -24.271
  608   1HD   ARG  74          1HD       ARG  74  -7.922   6.622 -25.743
  609   2HD   ARG  74          2HD       ARG  74  -9.465   5.859 -25.363
  610    HE   ARG  74           HE       ARG  74 -10.022   8.385 -26.377
  611   1HH1  ARG  74          1HH1      ARG  74  -8.573   5.409 -27.458
  612   2HH1  ARG  74          2HH1      ARG  74  -9.036   5.634 -29.112
  613   1HH2  ARG  74          1HH2      ARG  74 -10.633   8.693 -28.552
  614   2HH2  ARG  74          2HH2      ARG  74 -10.205   7.501 -29.735
  615    H    ASN  75           H        ASN  75  -7.688   9.682 -20.552
  616    HA   ASN  75           HA       ASN  75  -4.867   9.514 -21.383
  617   1HB   ASN  75          1HB       ASN  75  -6.602  11.992 -21.298
  618   2HB   ASN  75          2HB       ASN  75  -4.863  11.994 -21.582
  619   1HD2  ASN  75          2HD2      ASN  75  -5.078  12.916 -23.604
  620   2HD2  ASN  75          1HD2      ASN  75  -5.689  12.038 -24.961
  621    H    GLY  76           H        GLY  76  -5.734   8.504 -18.972
  622   1HA   GLY  76          1HA       GLY  76  -4.023   9.449 -17.106
  623   2HA   GLY  76          2HA       GLY  76  -5.417  10.500 -16.904
  Start of MODEL   16
    1   2H    MET   0          2H        MET   0  14.326   8.403  -2.311
    2   3H    MET   0          3H        MET   0  13.343   7.373  -1.353
    3   1H    MET   0          1H        MET   0  13.584   9.003  -0.884
    4    HA   MET   0           HA       MET   0  14.912   6.982   0.120
    5   1HB   MET   0          1HB       MET   0  15.953   6.276  -1.891
    6   2HB   MET   0          2HB       MET   0  16.349   7.924  -2.356
    7   1HG   MET   0          1HG       MET   0  17.515   6.847   0.154
    8   2HG   MET   0          2HG       MET   0  18.163   6.289  -1.387
    9   1HE   MET   0          1HE       MET   0  20.245   7.241  -2.126
   10   2HE   MET   0          2HE       MET   0  19.157   8.031  -3.267
   11   3HE   MET   0          3HE       MET   0  20.453   8.951  -2.503
   12    H    GLN   1           H        GLN   1  15.152  10.229  -1.164
   13    HA   GLN   1           HA       GLN   1  16.931  11.075   0.979
   14   1HB   GLN   1          1HB       GLN   1  16.494  13.368  -0.206
   15   2HB   GLN   1          2HB       GLN   1  17.541  12.172  -0.960
   16   1HG   GLN   1          1HG       GLN   1  15.905  11.560  -2.520
   17   2HG   GLN   1          2HG       GLN   1  14.622  12.356  -1.611
   18   1HE2  GLN   1          2HE2      GLN   1  17.567  12.958  -3.453
   19   2HE2  GLN   1          1HE2      GLN   1  17.110  14.524  -4.018
   20    H    HIS   2           H        HIS   2  15.930  11.234   2.897
   21    HA   HIS   2           HA       HIS   2  14.092  13.317   3.378
   22   1HB   HIS   2          1HB       HIS   2  12.522  11.711   2.325
   23   2HB   HIS   2          2HB       HIS   2  12.921  10.535   3.573
   24    HD1  HIS   2           HD1      HIS   2  11.043  10.405   5.163
   25    HD2  HIS   2           HD2      HIS   2  11.725  14.305   3.905
   26    HE1  HIS   2           HE1      HIS   2   9.390  11.816   6.426
   27    HE2  HIS   2           HE2      HIS   2   9.772  14.164   5.595
   28    H    HIS   3           H        HIS   3  14.205  10.092   4.864
   29    HA   HIS   3           HA       HIS   3  15.218  11.361   7.318
   30   1HB   HIS   3          1HB       HIS   3  13.006   9.732   6.947
   31   2HB   HIS   3          2HB       HIS   3  14.213   8.638   7.611
   32    HD1  HIS   3           HD1      HIS   3  11.906  11.343   8.537
   33    HD2  HIS   3           HD2      HIS   3  15.177   9.407  10.217
   34    HE1  HIS   3           HE1      HIS   3  11.863  11.944  10.978
   35    HE2  HIS   3           HE2      HIS   3  13.902  10.835  11.955
   36    H    GLY   4           H        GLY   4  16.219   9.500   4.753
   37   1HA   GLY   4          1HA       GLY   4  18.789   9.103   5.425
   38   2HA   GLY   4          2HA       GLY   4  18.003   7.757   6.235
   39    H    VAL   5           H        VAL   5  18.270   5.952   5.113
   40    HA   VAL   5           HA       VAL   5  18.007   6.083   2.179
   41    HB   VAL   5           HB       VAL   5  19.481   3.996   2.191
   42   1HG1  VAL   5          1HG1      VAL   5  20.065   6.565   1.770
   43   2HG1  VAL   5          2HG1      VAL   5  21.126   6.264   3.147
   44   3HG1  VAL   5          3HG1      VAL   5  21.277   5.287   1.687
   45   1HG2  VAL   5          1HG2      VAL   5  19.247   4.269   4.936
   46   2HG2  VAL   5          2HG2      VAL   5  20.376   3.220   4.077
   47   3HG2  VAL   5          3HG2      VAL   5  20.881   4.832   4.586
   48    H    THR   6           H        THR   6  16.059   5.285   1.702
   49    HA   THR   6           HA       THR   6  15.140   2.877   3.126
   50    HB   THR   6           HB       THR   6  13.056   4.061   1.565
   51    HG1  THR   6           HG1      THR   6  13.711   6.066   1.698
   52   1HG2  THR   6          1HG2      THR   6  13.461   3.942   4.544
   53   2HG2  THR   6          2HG2      THR   6  11.957   4.370   3.729
   54   3HG2  THR   6          3HG2      THR   6  12.628   2.748   3.547
   55    H    LYS   7           H        LYS   7  16.719   3.605   0.422
   56    HA   LYS   7           HA       LYS   7  16.809   2.809  -1.730
   57   1HB   LYS   7          1HB       LYS   7  16.151   0.116  -1.374
   58   2HB   LYS   7          2HB       LYS   7  17.756   0.831  -1.304
   59   1HG   LYS   7          1HG       LYS   7  17.679  -0.273   0.695
   60   2HG   LYS   7          2HG       LYS   7  17.106   1.324   1.181
   61   1HD   LYS   7          1HD       LYS   7  15.314   0.303   2.031
   62   2HD   LYS   7          2HD       LYS   7  14.812  -0.020   0.369
   63   1HE   LYS   7          1HE       LYS   7  14.781  -2.089   1.572
   64   2HE   LYS   7          2HE       LYS   7  16.140  -2.126   0.448
   65   1HZ   LYS   7          1HZ       LYS   7  16.932  -1.067   2.959
   66   2HZ   LYS   7          2HZ       LYS   7  16.220  -2.588   3.161
   67   3HZ   LYS   7          3HZ       LYS   7  17.544  -2.406   2.122
   68    H    CYS   8           H        CYS   8  15.065   3.851  -2.702
   69    HA   CYS   8           HA       CYS   8  13.208   3.887  -4.023
   70   1HB   CYS   8          1HB       CYS   8  13.665   1.042  -3.615
   71   2HB   CYS   8          2HB       CYS   8  11.955   1.417  -3.798
   72    H    ASN   9           H        ASN   9  11.978   5.292  -2.891
   73    HA   ASN   9           HA       ASN   9  10.875   5.277  -0.473
   74   1HB   ASN   9          1HB       ASN   9   9.222   6.760  -1.218
   75   2HB   ASN   9          2HB       ASN   9  10.501   6.933  -2.417
   76   1HD2  ASN   9          2HD2      ASN   9  10.259   5.757  -4.424
   77   2HD2  ASN   9          1HD2      ASN   9   8.674   5.455  -5.041
   78    H    ILE  10           H        ILE  10   9.766   3.291  -3.144
   79    HA   ILE  10           HA       ILE  10   8.061   1.818  -1.253
   80    HB   ILE  10           HB       ILE  10   6.620   3.216  -2.666
   81   1HG1  ILE  10          1HG1      ILE  10   6.191   0.450  -3.694
   82   2HG1  ILE  10          2HG1      ILE  10   6.206   0.688  -1.948
   83   1HG2  ILE  10          1HG2      ILE  10   8.427   2.437  -4.695
   84   2HG2  ILE  10          2HG2      ILE  10   6.837   1.814  -5.136
   85   3HG2  ILE  10          3HG2      ILE  10   7.054   3.536  -4.819
   86   1HD1  ILE  10          1HD1      ILE  10   4.446   2.223  -3.835
   87   2HD1  ILE  10          2HD1      ILE  10   3.954   0.763  -2.975
   88   3HD1  ILE  10          3HD1      ILE  10   4.388   2.216  -2.073
   89    H    THR  11           H        THR  11   9.545   0.164  -1.026
   90    HA   THR  11           HA       THR  11  10.284  -1.299  -3.464
   91    HB   THR  11           HB       THR  11  11.561  -0.959  -0.792
   92    HG1  THR  11           HG1      THR  11  12.120  -0.439  -3.352
   93   1HG2  THR  11          1HG2      THR  11  11.618  -3.495  -2.337
   94   2HG2  THR  11          2HG2      THR  11  13.114  -2.912  -1.606
   95   3HG2  THR  11          3HG2      THR  11  11.703  -3.226  -0.595
   96    H    CYS  12           H        CYS  12   9.033  -2.967  -3.937
   97    HA   CYS  12           HA       CYS  12   7.251  -4.142  -2.038
   98   1HB   CYS  12          1HB       CYS  12   7.971  -5.065  -4.828
   99   2HB   CYS  12          2HB       CYS  12   6.595  -5.619  -3.882
  100    H    SER  13           H        SER  13   9.529  -4.502  -0.785
  101    HA   SER  13           HA       SER  13  10.857  -6.951  -1.452
  102   1HB   SER  13          1HB       SER  13  12.049  -5.179  -0.256
  103   2HB   SER  13          2HB       SER  13  10.924  -5.316   1.095
  104    HG   SER  13           HG       SER  13  13.112  -6.545   0.994
  105    H    LYS  14           H        LYS  14   7.973  -6.156   0.161
  106    HA   LYS  14           HA       LYS  14   7.592  -8.944   0.903
  107   1HB   LYS  14          1HB       LYS  14   8.467  -8.063   2.958
  108   2HB   LYS  14          2HB       LYS  14   7.409  -6.661   2.869
  109   1HG   LYS  14          1HG       LYS  14   6.671  -8.329   4.521
  110   2HG   LYS  14          2HG       LYS  14   5.473  -8.030   3.262
  111   1HD   LYS  14          1HD       LYS  14   5.703 -10.110   2.359
  112   2HD   LYS  14          2HD       LYS  14   7.405 -10.233   2.809
  113   1HE   LYS  14          1HE       LYS  14   6.829 -11.479   4.551
  114   2HE   LYS  14          2HE       LYS  14   5.931 -10.113   5.207
  115   1HZ   LYS  14          1HZ       LYS  14   4.268 -11.127   3.313
  116   2HZ   LYS  14          2HZ       LYS  14   4.959 -12.516   3.987
  117   3HZ   LYS  14          3HZ       LYS  14   4.151 -11.407   4.976
  118    H    MET  15           H        MET  15   5.650  -9.582   0.251
  119    HA   MET  15           HA       MET  15   3.791  -7.859  -0.949
  120   1HB   MET  15          1HB       MET  15   3.695 -10.719  -0.044
  121   2HB   MET  15          2HB       MET  15   2.241  -9.934  -0.647
  122   1HG   MET  15          1HG       MET  15   3.466 -11.234  -2.357
  123   2HG   MET  15          2HG       MET  15   3.253  -9.534  -2.770
  124   1HE   MET  15          1HE       MET  15   4.606  -8.367  -3.738
  125   2HE   MET  15          2HE       MET  15   6.273  -8.002  -3.287
  126   3HE   MET  15          3HE       MET  15   5.939  -9.212  -4.527
  127    H    THR  16           H        THR  16   1.395  -7.879  -0.263
  128    HA   THR  16           HA       THR  16   1.235  -7.313   2.625
  129    HB   THR  16           HB       THR  16   1.134  -5.316   1.039
  130    HG1  THR  16           HG1      THR  16  -0.746  -4.472   2.205
  131   1HG2  THR  16          1HG2      THR  16  -1.578  -6.477   0.453
  132   2HG2  THR  16          2HG2      THR  16  -1.078  -4.826   0.085
  133   3HG2  THR  16          3HG2      THR  16  -0.277  -6.187  -0.703
  134    H    SER  17           H        SER  17  -1.408  -6.979   2.980
  135    HA   SER  17           HA       SER  17  -2.536  -9.580   2.175
  136   1HB   SER  17          1HB       SER  17  -2.892  -7.978   4.711
  137   2HB   SER  17          2HB       SER  17  -3.933  -9.335   4.283
  138    HG   SER  17           HG       SER  17  -1.965 -10.603   4.157
  139    H    LYS  18           H        LYS  18  -4.832  -9.688   1.828
  140    HA   LYS  18           HA       LYS  18  -5.900  -7.983   0.041
  141   1HB   LYS  18          1HB       LYS  18  -7.109  -9.954   0.451
  142   2HB   LYS  18          2HB       LYS  18  -7.246  -9.620   2.172
  143   1HG   LYS  18          1HG       LYS  18  -8.891  -7.959   1.813
  144   2HG   LYS  18          2HG       LYS  18  -8.593  -7.943   0.074
  145   1HD   LYS  18          1HD       LYS  18  -9.258 -10.467   0.237
  146   2HD   LYS  18          2HD       LYS  18 -10.040  -9.959   1.734
  147   1HE   LYS  18          1HE       LYS  18 -11.732  -9.742   0.160
  148   2HE   LYS  18          2HE       LYS  18 -11.096  -8.103   0.295
  149   1HZ   LYS  18          1HZ       LYS  18  -9.884  -9.813  -1.728
  150   2HZ   LYS  18          2HZ       LYS  18 -11.471  -9.309  -2.024
  151   3HZ   LYS  18          3HZ       LYS  18 -10.251  -8.162  -1.784
  152    H    ILE  19           H        ILE  19  -7.220  -6.160   0.021
  153    HA   ILE  19           HA       ILE  19  -7.714  -4.771   2.539
  154    HB   ILE  19           HB       ILE  19  -6.394  -3.284   0.281
  155   1HG1  ILE  19          1HG1      ILE  19  -5.127  -4.681   2.638
  156   2HG1  ILE  19          2HG1      ILE  19  -4.731  -4.862   0.931
  157   1HG2  ILE  19          1HG2      ILE  19  -7.699  -1.980   1.886
  158   2HG2  ILE  19          2HG2      ILE  19  -6.739  -2.645   3.208
  159   3HG2  ILE  19          3HG2      ILE  19  -5.980  -1.609   1.999
  160   1HD1  ILE  19          1HD1      ILE  19  -4.149  -2.313   1.126
  161   2HD1  ILE  19          2HD1      ILE  19  -3.976  -2.715   2.836
  162   3HD1  ILE  19          3HD1      ILE  19  -3.002  -3.556   1.629
  163    HA   PRO  20           HA       PRO  20 -11.629  -3.968   0.674
  164   1HB   PRO  20          1HB       PRO  20 -11.446  -1.418   2.191
  165   2HB   PRO  20          2HB       PRO  20 -12.726  -2.629   2.185
  166   1HG   PRO  20          1HG       PRO  20 -11.033  -2.416   4.233
  167   2HG   PRO  20          2HG       PRO  20 -11.617  -3.987   3.670
  168   1HD   PRO  20          1HD       PRO  20  -8.958  -2.709   3.279
  169   2HD   PRO  20          2HD       PRO  20  -9.366  -4.425   3.487
  170    H    VAL  21           H        VAL  21 -11.705  -3.394  -1.412
  171    HA   VAL  21           HA       VAL  21 -10.091  -1.454  -2.630
  172    HB   VAL  21           HB       VAL  21 -11.386  -3.342  -3.762
  173   1HG1  VAL  21          1HG1      VAL  21 -13.585  -2.758  -2.818
  174   2HG1  VAL  21          2HG1      VAL  21 -13.576  -1.270  -3.764
  175   3HG1  VAL  21          3HG1      VAL  21 -13.606  -2.832  -4.580
  176   1HG2  VAL  21          1HG2      VAL  21 -10.214  -1.178  -4.770
  177   2HG2  VAL  21          2HG2      VAL  21 -11.061  -2.348  -5.780
  178   3HG2  VAL  21          3HG2      VAL  21 -11.865  -0.853  -5.299
  179    H    ALA  22           H        ALA  22 -12.826  -1.110  -0.666
  180    HA   ALA  22           HA       ALA  22 -13.951   1.252  -1.757
  181   1HB   ALA  22          1HB       ALA  22 -14.716  -0.484   0.173
  182   2HB   ALA  22          2HB       ALA  22 -14.172   0.878   1.152
  183   3HB   ALA  22          3HB       ALA  22 -15.429   1.113  -0.063
  184    H    LEU  23           H        LEU  23 -11.033   0.678  -0.163
  185    HA   LEU  23           HA       LEU  23 -10.830   3.461   0.756
  186   1HB   LEU  23          1HB       LEU  23  -8.704   1.451   1.315
  187   2HB   LEU  23          2HB       LEU  23  -9.245   2.807   2.288
  188    HG   LEU  23           HG       LEU  23 -11.223   0.648   1.939
  189   1HD1  LEU  23          1HD1      LEU  23  -8.591   0.221   3.311
  190   2HD1  LEU  23          2HD1      LEU  23 -10.051  -0.619   3.835
  191   3HD1  LEU  23          3HD1      LEU  23  -9.446  -0.842   2.193
  192   1HD2  LEU  23          1HD2      LEU  23 -11.238   2.795   3.424
  193   2HD2  LEU  23          2HD2      LEU  23 -11.902   1.281   4.039
  194   3HD2  LEU  23          3HD2      LEU  23 -10.288   1.798   4.527
  195    H    LEU  24           H        LEU  24  -9.956   1.432  -1.784
  196    HA   LEU  24           HA       LEU  24  -7.448   2.692  -2.433
  197   1HB   LEU  24          1HB       LEU  24  -9.232   0.800  -3.959
  198   2HB   LEU  24          2HB       LEU  24  -7.707   1.403  -4.579
  199    HG   LEU  24           HG       LEU  24  -8.082  -0.315  -2.123
  200   1HD1  LEU  24          1HD1      LEU  24  -6.981  -0.857  -4.869
  201   2HD1  LEU  24          2HD1      LEU  24  -6.696  -1.910  -3.485
  202   3HD1  LEU  24          3HD1      LEU  24  -8.339  -1.645  -4.068
  203   1HD2  LEU  24          1HD2      LEU  24  -5.804   1.285  -3.117
  204   2HD2  LEU  24          2HD2      LEU  24  -6.219   0.795  -1.474
  205   3HD2  LEU  24          3HD2      LEU  24  -5.443  -0.353  -2.567
  206    H    ILE  25           H        ILE  25  -7.198   4.550  -3.481
  207    HA   ILE  25           HA       ILE  25  -9.509   5.654  -4.933
  208    HB   ILE  25           HB       ILE  25  -8.682   7.845  -4.513
  209   1HG1  ILE  25          1HG1      ILE  25  -6.259   6.624  -3.180
  210   2HG1  ILE  25          2HG1      ILE  25  -6.260   7.226  -4.835
  211   1HG2  ILE  25          1HG2      ILE  25  -8.911   5.963  -2.258
  212   2HG2  ILE  25          2HG2      ILE  25  -8.223   7.543  -1.880
  213   3HG2  ILE  25          3HG2      ILE  25  -9.824   7.430  -2.613
  214   1HD1  ILE  25          1HD1      ILE  25  -7.197   9.071  -2.721
  215   2HD1  ILE  25          2HD1      ILE  25  -5.474   8.700  -2.783
  216   3HD1  ILE  25          3HD1      ILE  25  -6.277   9.395  -4.190
  217    H    HIS  26           H        HIS  26  -6.147   4.783  -5.177
  218    HA   HIS  26           HA       HIS  26  -6.262   4.870  -8.036
  219   1HB   HIS  26          1HB       HIS  26  -5.409   7.221  -6.733
  220   2HB   HIS  26          2HB       HIS  26  -3.957   6.460  -7.375
  221    HD1  HIS  26           HD1      HIS  26  -4.089   5.880 -10.029
  222    HD2  HIS  26           HD2      HIS  26  -6.838   8.632  -8.566
  223    HE1  HIS  26           HE1      HIS  26  -4.952   7.107 -12.047
  224    HE2  HIS  26           HE2      HIS  26  -6.532   8.838 -11.126
  225    H    TYR  27           H        TYR  27  -4.725   3.592  -8.977
  226    HA   TYR  27           HA       TYR  27  -2.843   2.274  -7.133
  227   1HB   TYR  27          1HB       TYR  27  -3.053   0.270  -8.401
  228   2HB   TYR  27          2HB       TYR  27  -4.690   0.863  -8.139
  229    HD1  TYR  27           HD1      TYR  27  -2.006   0.441 -10.631
  230    HD2  TYR  27           HD2      TYR  27  -6.061   1.584  -9.976
  231    HE1  TYR  27           HE1      TYR  27  -2.411   0.375 -13.061
  232    HE2  TYR  27           HE2      TYR  27  -6.477   1.519 -12.402
  233    HH   TYR  27           HH       TYR  27  -4.533   0.020 -14.565
  234    H    GLN  28           H        GLN  28  -0.845   1.437  -8.176
  235    HA   GLN  28           HA       GLN  28   0.001   2.950 -10.529
  236   1HB   GLN  28          1HB       GLN  28   2.067   2.858  -8.458
  237   2HB   GLN  28          2HB       GLN  28   1.579   4.184  -9.504
  238   1HG   GLN  28          1HG       GLN  28  -0.337   4.616  -8.027
  239   2HG   GLN  28          2HG       GLN  28   0.218   3.327  -6.962
  240   1HE2  GLN  28          1HE2      GLN  28   0.028   6.472  -7.052
  241   2HE2  GLN  28          2HE2      GLN  28   1.495   6.938  -6.269
  242    H    GLN  29           H        GLN  29   2.748   2.244 -10.288
  243    HA   GLN  29           HA       GLN  29   2.770  -0.673 -10.201
  244   1HB   GLN  29          1HB       GLN  29   2.466   0.672 -12.614
  245   2HB   GLN  29          2HB       GLN  29   4.184   0.301 -12.550
  246   1HG   GLN  29          1HG       GLN  29   3.855  -1.914 -12.776
  247   2HG   GLN  29          2HG       GLN  29   2.364  -1.901 -11.836
  248   1HE2  GLN  29          2HE2      GLN  29   2.493  -3.405 -14.076
  249   2HE2  GLN  29          1HE2      GLN  29   1.517  -2.716 -15.324
  250    H    ASN  30           H        ASN  30   4.558  -1.399  -9.255
  251    HA   ASN  30           HA       ASN  30   6.472   0.188  -8.088
  252   1HB   ASN  30          1HB       ASN  30   5.940  -2.498  -8.125
  253   2HB   ASN  30          2HB       ASN  30   7.498  -2.431  -8.944
  254   1HD2  ASN  30          1HD2      ASN  30   8.690  -3.341  -7.341
  255   2HD2  ASN  30          2HD2      ASN  30   8.959  -2.597  -5.807
  256    H    GLN  31           H        GLN  31   8.878   0.126  -8.547
  257    HA   GLN  31           HA       GLN  31   9.300   0.722 -11.396
  258   1HB   GLN  31          1HB       GLN  31  10.499   1.814  -8.877
  259   2HB   GLN  31          2HB       GLN  31  11.396   1.914 -10.385
  260   1HG   GLN  31          1HG       GLN  31   9.955   3.423 -11.307
  261   2HG   GLN  31          2HG       GLN  31   8.581   2.859 -10.358
  262   1HE2  GLN  31          2HE2      GLN  31   9.898   5.548 -10.839
  263   2HE2  GLN  31          1HE2      GLN  31  10.098   6.204  -9.254
  264    H    ALA  32           H        ALA  32  11.343   0.135 -12.357
  265    HA   ALA  32           HA       ALA  32  12.115  -2.527 -11.717
  266   1HB   ALA  32          1HB       ALA  32  12.388  -0.785 -13.917
  267   2HB   ALA  32          2HB       ALA  32  14.010  -1.305 -13.461
  268   3HB   ALA  32          3HB       ALA  32  12.771  -2.505 -13.834
  269    H    SER  33           H        SER  33  12.988   0.375 -10.350
  270    HA   SER  33           HA       SER  33  15.708  -0.496  -9.700
  271   1HB   SER  33          1HB       SER  33  16.261   1.684  -9.529
  272   2HB   SER  33          2HB       SER  33  14.729   1.990 -10.345
  273    HG   SER  33           HG       SER  33  15.437   2.778  -7.947
  274    H    CYS  34           H        CYS  34  12.775  -1.115  -8.537
  275    HA   CYS  34           HA       CYS  34  13.637  -1.002  -5.722
  276   1HB   CYS  34          1HB       CYS  34  10.775  -1.221  -6.649
  277   2HB   CYS  34          2HB       CYS  34  11.368  -0.800  -5.047
  278    H    GLY  35           H        GLY  35  11.648  -2.719  -4.717
  279   1HA   GLY  35          1HA       GLY  35  12.865  -5.213  -4.965
  280   2HA   GLY  35          2HA       GLY  35  11.249  -4.946  -4.329
  281    H    LYS  36           H        LYS  36  10.439  -6.834  -5.269
  282    HA   LYS  36           HA       LYS  36  10.722  -7.507  -7.990
  283   1HB   LYS  36          1HB       LYS  36   8.418  -8.252  -6.185
  284   2HB   LYS  36          2HB       LYS  36   8.957  -9.106  -7.621
  285   1HG   LYS  36          1HG       LYS  36  10.103 -10.409  -6.238
  286   2HG   LYS  36          2HG       LYS  36  11.214  -9.050  -6.051
  287   1HD   LYS  36          1HD       LYS  36   9.527  -8.274  -4.224
  288   2HD   LYS  36          2HD       LYS  36   9.008  -9.962  -4.247
  289   1HE   LYS  36          1HE       LYS  36  11.894  -9.193  -3.947
  290   2HE   LYS  36          2HE       LYS  36  10.810  -9.296  -2.560
  291   1HZ   LYS  36          1HZ       LYS  36  10.534 -11.614  -4.131
  292   2HZ   LYS  36          2HZ       LYS  36  12.176 -11.370  -3.811
  293   3HZ   LYS  36          3HZ       LYS  36  11.073 -11.479  -2.532
  294    H    ARG  37           H        ARG  37   9.465  -7.114  -9.769
  295    HA   ARG  37           HA       ARG  37   8.077  -4.670  -9.899
  296   1HB   ARG  37          1HB       ARG  37   9.079  -5.475 -11.895
  297   2HB   ARG  37          2HB       ARG  37   8.247  -7.019 -11.777
  298   1HG   ARG  37          1HG       ARG  37   6.286  -6.189 -12.602
  299   2HG   ARG  37          2HG       ARG  37   6.614  -4.550 -12.034
  300   1HD   ARG  37          1HD       ARG  37   8.637  -4.957 -13.827
  301   2HD   ARG  37          2HD       ARG  37   7.304  -5.841 -14.568
  302    HE   ARG  37           HE       ARG  37   6.169  -3.481 -13.929
  303   1HH1  ARG  37          1HH1      ARG  37   9.092  -4.320 -15.625
  304   2HH1  ARG  37          2HH1      ARG  37   9.066  -2.911 -16.633
  305   1HH2  ARG  37          1HH2      ARG  37   6.122  -1.623 -15.253
  306   2HH2  ARG  37          2HH2      ARG  37   7.377  -1.377 -16.422
  307    H    ALA  38           H        ALA  38   6.450  -4.667  -8.339
  308    HA   ALA  38           HA       ALA  38   4.194  -6.492  -8.849
  309   1HB   ALA  38          1HB       ALA  38   5.341  -6.577  -6.587
  310   2HB   ALA  38          2HB       ALA  38   4.652  -4.980  -6.292
  311   3HB   ALA  38          3HB       ALA  38   3.591  -6.360  -6.574
  312    H    ILE  39           H        ILE  39   2.442  -4.900  -7.139
  313    HA   ILE  39           HA       ILE  39   1.986  -2.608  -8.936
  314    HB   ILE  39           HB       ILE  39  -0.029  -4.422  -7.618
  315   1HG1  ILE  39          1HG1      ILE  39   1.167  -4.889  -9.916
  316   2HG1  ILE  39          2HG1      ILE  39  -0.562  -5.173  -9.739
  317   1HG2  ILE  39          1HG2      ILE  39  -0.744  -2.096  -7.386
  318   2HG2  ILE  39          2HG2      ILE  39  -0.539  -1.859  -9.122
  319   3HG2  ILE  39          3HG2      ILE  39  -1.767  -2.974  -8.524
  320   1HD1  ILE  39          1HD1      ILE  39   0.319  -2.503 -10.676
  321   2HD1  ILE  39          2HD1      ILE  39   0.434  -3.863 -11.792
  322   3HD1  ILE  39          3HD1      ILE  39  -1.124  -3.431 -11.085
  323    H    ILE  40           H        ILE  40   1.124  -0.704  -8.023
  324    HA   ILE  40           HA       ILE  40   1.647  -0.454  -5.140
  325    HB   ILE  40           HB       ILE  40   1.346   1.840  -7.065
  326   1HG1  ILE  40          1HG1      ILE  40   3.133   0.451  -7.943
  327   2HG1  ILE  40          2HG1      ILE  40   3.829   1.882  -7.187
  328   1HG2  ILE  40          1HG2      ILE  40   2.021   1.507  -4.238
  329   2HG2  ILE  40          2HG2      ILE  40   3.117   2.569  -5.124
  330   3HG2  ILE  40          3HG2      ILE  40   1.386   2.910  -5.098
  331   1HD1  ILE  40          1HD1      ILE  40   3.576  -0.412  -5.396
  332   2HD1  ILE  40          2HD1      ILE  40   4.656  -0.666  -6.766
  333   3HD1  ILE  40          3HD1      ILE  40   4.933   0.683  -5.665
  334    H    LEU  41           H        LEU  41   0.066   0.079  -3.758
  335    HA   LEU  41           HA       LEU  41  -2.557   0.788  -4.896
  336   1HB   LEU  41          1HB       LEU  41  -1.995  -0.752  -2.363
  337   2HB   LEU  41          2HB       LEU  41  -3.582  -0.352  -2.995
  338    HG   LEU  41           HG       LEU  41  -1.569  -2.242  -4.205
  339   1HD1  LEU  41          1HD1      LEU  41  -3.974  -2.517  -2.554
  340   2HD1  LEU  41          2HD1      LEU  41  -3.929  -3.563  -3.973
  341   3HD1  LEU  41          3HD1      LEU  41  -2.621  -3.625  -2.792
  342   1HD2  LEU  41          1HD2      LEU  41  -3.647  -0.701  -5.472
  343   2HD2  LEU  41          2HD2      LEU  41  -2.457  -1.787  -6.190
  344   3HD2  LEU  41          3HD2      LEU  41  -3.985  -2.428  -5.587
  345    H    GLU  42           H        GLU  42  -3.052   2.826  -4.509
  346    HA   GLU  42           HA       GLU  42  -2.138   4.060  -1.998
  347   1HB   GLU  42          1HB       GLU  42  -1.231   5.171  -3.953
  348   2HB   GLU  42          2HB       GLU  42  -2.837   5.324  -4.652
  349   1HG   GLU  42          1HG       GLU  42  -3.368   6.660  -2.495
  350   2HG   GLU  42          2HG       GLU  42  -1.615   6.817  -2.378
  351    H    THR  43           H        THR  43  -3.627   4.571  -0.533
  352    HA   THR  43           HA       THR  43  -6.451   4.518  -1.347
  353    HB   THR  43           HB       THR  43  -6.989   3.999   0.935
  354    HG1  THR  43           HG1      THR  43  -5.442   4.000   2.542
  355   1HG2  THR  43          1HG2      THR  43  -4.776   2.417  -0.258
  356   2HG2  THR  43          2HG2      THR  43  -5.300   2.055   1.387
  357   3HG2  THR  43          3HG2      THR  43  -6.452   1.965   0.055
  358    H    ARG  44           H        ARG  44  -7.912   5.972  -0.065
  359    HA   ARG  44           HA       ARG  44  -7.172   8.659  -0.456
  360   1HB   ARG  44          1HB       ARG  44  -9.296   9.213   0.612
  361   2HB   ARG  44          2HB       ARG  44  -9.501   7.890  -0.526
  362   1HG   ARG  44          1HG       ARG  44  -9.135   6.421   1.624
  363   2HG   ARG  44          2HG       ARG  44  -9.675   7.888   2.441
  364   1HD   ARG  44          1HD       ARG  44 -11.545   6.380   1.982
  365   2HD   ARG  44          2HD       ARG  44 -11.711   7.900   1.103
  366    HE   ARG  44           HE       ARG  44 -10.422   5.953  -0.501
  367   1HH1  ARG  44          1HH1      ARG  44 -13.539   6.847   0.766
  368   2HH1  ARG  44          2HH1      ARG  44 -14.423   6.115  -0.531
  369   1HH2  ARG  44          1HH2      ARG  44 -11.575   4.984  -2.216
  370   2HH2  ARG  44          2HH2      ARG  44 -13.305   5.057  -2.226
  371    H    GLN  45           H        GLN  45  -6.408   6.530   2.035
  372    HA   GLN  45           HA       GLN  45  -5.996   8.704   3.968
  373   1HB   GLN  45          1HB       GLN  45  -7.036   6.151   4.300
  374   2HB   GLN  45          2HB       GLN  45  -5.396   6.016   4.919
  375   1HG   GLN  45          1HG       GLN  45  -5.762   7.666   6.551
  376   2HG   GLN  45          2HG       GLN  45  -7.251   8.209   5.779
  377   1HE2  GLN  45          2HE2      GLN  45  -5.763   5.607   7.594
  378   2HE2  GLN  45          1HE2      GLN  45  -7.232   4.948   8.220
  379    H    HIS  46           H        HIS  46  -4.327   8.143   1.587
  380    HA   HIS  46           HA       HIS  46  -2.133   8.080   0.999
  381   1HB   HIS  46          1HB       HIS  46  -2.014   9.013   3.847
  382   2HB   HIS  46          2HB       HIS  46  -0.523   8.694   2.967
  383    HD1  HIS  46           HD1      HIS  46  -2.123   9.833   0.258
  384    HD2  HIS  46           HD2      HIS  46  -1.209  11.765   3.821
  385    HE1  HIS  46           HE1      HIS  46  -2.127  12.287  -0.289
  386    HE2  HIS  46           HE2      HIS  46  -1.498  13.433   1.865
  387    H    ARG  47           H        ARG  47  -3.151   5.607   1.340
  388    HA   ARG  47           HA       ARG  47  -1.157   4.123   2.910
  389   1HB   ARG  47          1HB       ARG  47  -3.657   3.741   3.257
  390   2HB   ARG  47          2HB       ARG  47  -3.658   2.986   1.669
  391   1HG   ARG  47          1HG       ARG  47  -1.590   1.704   2.913
  392   2HG   ARG  47          2HG       ARG  47  -2.734   1.956   4.234
  393   1HD   ARG  47          1HD       ARG  47  -3.655   0.873   1.598
  394   2HD   ARG  47          2HD       ARG  47  -2.921  -0.189   2.798
  395    HE   ARG  47           HE       ARG  47  -5.542   0.978   2.891
  396   1HH1  ARG  47          1HH1      ARG  47  -2.925  -0.322   4.784
  397   2HH1  ARG  47          2HH1      ARG  47  -3.935  -0.751   6.124
  398   1HH2  ARG  47          1HH2      ARG  47  -6.882   0.417   4.647
  399   2HH2  ARG  47          2HH2      ARG  47  -6.186  -0.330   6.046
  400    H    LEU  48           H        LEU  48   0.583   3.718   1.694
  401    HA   LEU  48           HA       LEU  48   0.171   2.765  -1.062
  402   1HB   LEU  48          1HB       LEU  48   2.663   3.947   0.167
  403   2HB   LEU  48          2HB       LEU  48   2.470   3.460  -1.506
  404    HG   LEU  48           HG       LEU  48   0.992   5.714  -0.148
  405   1HD1  LEU  48          1HD1      LEU  48   3.256   5.675  -2.133
  406   2HD1  LEU  48          2HD1      LEU  48   2.300   7.107  -1.754
  407   3HD1  LEU  48          3HD1      LEU  48   3.270   6.336  -0.497
  408   1HD2  LEU  48          1HD2      LEU  48   0.647   4.337  -2.736
  409   2HD2  LEU  48          2HD2      LEU  48  -0.524   5.207  -1.746
  410   3HD2  LEU  48          3HD2      LEU  48   0.598   6.099  -2.773
  411    H    PHE  49           H        PHE  49   0.076   0.593  -0.972
  412    HA   PHE  49           HA       PHE  49   2.260  -0.793   0.443
  413   1HB   PHE  49          1HB       PHE  49  -0.667  -1.433   0.294
  414   2HB   PHE  49          2HB       PHE  49   0.505  -2.728   0.523
  415    HD1  PHE  49           HD1      PHE  49   1.938  -2.757   2.542
  416    HD2  PHE  49           HD2      PHE  49  -1.228   0.058   2.052
  417    HE1  PHE  49           HE1      PHE  49   1.991  -2.281   4.960
  418    HE2  PHE  49           HE2      PHE  49  -1.181   0.540   4.469
  419    HZ   PHE  49           HZ       PHE  49   0.430  -0.632   5.926
  420    H    CYS  50           H        CYS  50   2.791  -2.939  -0.450
  421    HA   CYS  50           HA       CYS  50   2.667  -2.860  -3.380
  422   1HB   CYS  50          1HB       CYS  50   4.623  -3.951  -1.406
  423   2HB   CYS  50          2HB       CYS  50   4.507  -4.728  -2.981
  424    H    ALA  51           H        ALA  51   1.338  -4.198  -4.397
  425    HA   ALA  51           HA       ALA  51   0.647  -6.753  -3.102
  426   1HB   ALA  51          1HB       ALA  51  -1.185  -5.016  -3.052
  427   2HB   ALA  51          2HB       ALA  51  -1.262  -5.174  -4.806
  428   3HB   ALA  51          3HB       ALA  51  -1.610  -6.564  -3.779
  429    H    ASP  52           H        ASP  52   0.897  -8.529  -4.312
  430    HA   ASP  52           HA       ASP  52   2.087  -8.318  -6.904
  431   1HB   ASP  52          1HB       ASP  52   2.053 -10.231  -4.896
  432   2HB   ASP  52          2HB       ASP  52   1.119 -10.977  -6.190
  433    HA   PRO  53           HA       PRO  53  -1.621  -8.120  -9.332
  434   1HB   PRO  53          1HB       PRO  53   0.099  -9.392 -11.390
  435   2HB   PRO  53          2HB       PRO  53  -0.838  -7.898 -11.475
  436   1HG   PRO  53          1HG       PRO  53   1.820  -7.839 -11.247
  437   2HG   PRO  53          2HG       PRO  53   0.800  -6.652 -10.413
  438   1HD   PRO  53          1HD       PRO  53   2.201  -9.054  -9.316
  439   2HD   PRO  53          2HD       PRO  53   1.955  -7.457  -8.580
  440    H    LYS  54           H        LYS  54   0.151 -10.957  -8.580
  441    HA   LYS  54           HA       LYS  54  -1.437 -12.846  -9.991
  442   1HB   LYS  54          1HB       LYS  54   0.529 -13.015  -7.734
  443   2HB   LYS  54          2HB       LYS  54  -0.437 -14.420  -8.164
  444   1HG   LYS  54          1HG       LYS  54   0.429 -13.964 -10.565
  445   2HG   LYS  54          2HG       LYS  54   1.678 -13.027  -9.741
  446   1HD   LYS  54          1HD       LYS  54   1.020 -15.919  -9.182
  447   2HD   LYS  54          2HD       LYS  54   2.367 -15.358 -10.175
  448   1HE   LYS  54          1HE       LYS  54   2.894 -13.945  -7.995
  449   2HE   LYS  54          2HE       LYS  54   1.994 -15.253  -7.228
  450   1HZ   LYS  54          1HZ       LYS  54   4.250 -15.760  -9.076
  451   2HZ   LYS  54          2HZ       LYS  54   4.478 -15.546  -7.414
  452   3HZ   LYS  54          3HZ       LYS  54   3.536 -16.832  -7.978
  453    H    GLU  55           H        GLU  55  -1.754 -11.213  -6.937
  454    HA   GLU  55           HA       GLU  55  -3.704 -12.996  -5.840
  455   1HB   GLU  55          1HB       GLU  55  -3.241 -10.113  -5.071
  456   2HB   GLU  55          2HB       GLU  55  -3.957 -11.383  -4.086
  457   1HG   GLU  55          1HG       GLU  55  -1.914 -12.421  -3.710
  458   2HG   GLU  55          2HG       GLU  55  -1.147 -11.620  -5.081
  459    H    GLN  56           H        GLN  56  -5.869 -12.983  -6.044
  460    HA   GLN  56           HA       GLN  56  -7.121 -11.764  -8.195
  461   1HB   GLN  56          1HB       GLN  56  -7.908 -13.742  -6.764
  462   2HB   GLN  56          2HB       GLN  56  -8.596 -12.534  -5.689
  463   1HG   GLN  56          1HG       GLN  56  -9.364 -13.222  -8.492
  464   2HG   GLN  56          2HG       GLN  56 -10.373 -13.124  -7.048
  465   1HE2  GLN  56          2HE2      GLN  56  -8.636 -11.265  -9.456
  466   2HE2  GLN  56          1HE2      GLN  56  -9.514  -9.793  -9.235
  467    H    TRP  57           H        TRP  57  -7.418 -10.846  -4.753
  468    HA   TRP  57           HA       TRP  57  -9.052  -8.672  -4.997
  469   1HB   TRP  57          1HB       TRP  57  -8.386  -8.044  -2.876
  470   2HB   TRP  57          2HB       TRP  57  -7.882  -9.728  -2.906
  471    HD1  TRP  57           HD1      TRP  57  -5.172 -10.125  -3.430
  472    HE1  TRP  57           HE1      TRP  57  -3.166  -8.709  -2.660
  473    HE3  TRP  57           HE3      TRP  57  -7.630  -5.777  -2.328
  474    HZ2  TRP  57           HZ2      TRP  57  -2.689  -6.090  -1.706
  475    HZ3  TRP  57           HZ3      TRP  57  -6.329  -3.861  -1.492
  476    HH2  TRP  57           HH2      TRP  57  -3.907  -4.016  -1.187
  477    H    VAL  58           H        VAL  58  -5.815  -8.959  -6.145
  478    HA   VAL  58           HA       VAL  58  -5.440  -6.090  -6.416
  479    HB   VAL  58           HB       VAL  58  -3.717  -8.397  -7.332
  480   1HG1  VAL  58          1HG1      VAL  58  -3.437  -6.397  -8.735
  481   2HG1  VAL  58          2HG1      VAL  58  -3.081  -5.449  -7.291
  482   3HG1  VAL  58          3HG1      VAL  58  -1.996  -6.752  -7.782
  483   1HG2  VAL  58          1HG2      VAL  58  -4.111  -7.665  -4.791
  484   2HG2  VAL  58          2HG2      VAL  58  -2.556  -8.246  -5.389
  485   3HG2  VAL  58          3HG2      VAL  58  -2.848  -6.514  -5.222
  486    H    LYS  59           H        LYS  59  -5.764  -8.914  -8.563
  487    HA   LYS  59           HA       LYS  59  -5.732  -7.479 -10.981
  488   1HB   LYS  59          1HB       LYS  59  -7.267 -10.033 -10.532
  489   2HB   LYS  59          2HB       LYS  59  -6.524  -9.467 -12.020
  490   1HG   LYS  59          1HG       LYS  59  -4.316  -9.809 -11.072
  491   2HG   LYS  59          2HG       LYS  59  -5.039 -10.326  -9.546
  492   1HD   LYS  59          1HD       LYS  59  -6.291 -12.032 -11.122
  493   2HD   LYS  59          2HD       LYS  59  -4.895 -11.739 -12.160
  494   1HE   LYS  59          1HE       LYS  59  -3.404 -12.346 -10.306
  495   2HE   LYS  59          2HE       LYS  59  -4.809 -12.666  -9.291
  496   1HZ   LYS  59          1HZ       LYS  59  -4.150 -14.097 -11.809
  497   2HZ   LYS  59          2HZ       LYS  59  -3.900 -14.697 -10.247
  498   3HZ   LYS  59          3HZ       LYS  59  -5.473 -14.416 -10.804
  499    H    ASP  60           H        ASP  60  -8.353  -8.404  -8.807
  500    HA   ASP  60           HA       ASP  60 -10.429  -7.372 -10.484
  501   1HB   ASP  60          1HB       ASP  60 -11.176  -9.015  -8.978
  502   2HB   ASP  60          2HB       ASP  60 -10.310  -8.298  -7.623
  503    H    ALA  61           H        ALA  61  -8.633  -6.208  -7.672
  504    HA   ALA  61           HA       ALA  61 -10.001  -3.897  -7.127
  505   1HB   ALA  61          1HB       ALA  61  -7.169  -4.728  -6.829
  506   2HB   ALA  61          2HB       ALA  61  -7.554  -3.021  -6.605
  507   3HB   ALA  61          3HB       ALA  61  -8.340  -4.242  -5.604
  508    H    MET  62           H        MET  62  -7.426  -4.378  -9.523
  509    HA   MET  62           HA       MET  62  -7.434  -1.699 -10.452
  510   1HB   MET  62          1HB       MET  62  -6.403  -4.270 -11.640
  511   2HB   MET  62          2HB       MET  62  -6.241  -2.724 -12.461
  512   1HG   MET  62          1HG       MET  62  -5.090  -1.900 -10.350
  513   2HG   MET  62          2HG       MET  62  -5.006  -3.595  -9.872
  514   1HE   MET  62          1HE       MET  62  -3.766  -5.459 -11.302
  515   2HE   MET  62          2HE       MET  62  -4.609  -4.975 -12.774
  516   3HE   MET  62          3HE       MET  62  -2.851  -5.127 -12.773
  517    H    GLN  63           H        GLN  63  -8.736  -4.689 -11.900
  518    HA   GLN  63           HA       GLN  63  -9.982  -3.548 -14.092
  519   1HB   GLN  63          1HB       GLN  63  -9.757  -6.027 -13.480
  520   2HB   GLN  63          2HB       GLN  63 -11.207  -5.804 -12.511
  521   1HG   GLN  63          1HG       GLN  63 -12.540  -5.399 -14.375
  522   2HG   GLN  63          2HG       GLN  63 -11.153  -5.052 -15.407
  523   1HE2  GLN  63          2HE2      GLN  63  -9.607  -6.946 -15.633
  524   2HE2  GLN  63          1HE2      GLN  63 -10.330  -8.495 -15.894
  525    H    HIS  64           H        HIS  64 -10.743  -3.314 -10.764
  526    HA   HIS  64           HA       HIS  64 -13.497  -2.628 -11.048
  527   1HB   HIS  64          1HB       HIS  64 -12.334  -3.540  -8.957
  528   2HB   HIS  64          2HB       HIS  64 -11.739  -1.902  -8.714
  529    HD1  HIS  64           HD1      HIS  64 -15.080  -3.673  -9.128
  530    HD2  HIS  64           HD2      HIS  64 -13.422  -0.338  -7.285
  531    HE1  HIS  64           HE1      HIS  64 -16.938  -2.660  -7.770
  532    HE2  HIS  64           HE2      HIS  64 -15.881  -0.708  -6.580
  533    H    LEU  65           H        LEU  65 -10.642  -0.695 -10.138
  534    HA   LEU  65           HA       LEU  65 -11.963   1.790 -10.384
  535   1HB   LEU  65          1HB       LEU  65  -9.137   0.898 -10.121
  536   2HB   LEU  65          2HB       LEU  65  -9.425   2.538 -10.670
  537    HG   LEU  65           HG       LEU  65 -10.474   1.372  -8.089
  538   1HD1  LEU  65          1HD1      LEU  65  -7.905   2.450  -8.782
  539   2HD1  LEU  65          2HD1      LEU  65  -8.706   3.486  -7.602
  540   3HD1  LEU  65          3HD1      LEU  65  -8.461   1.776  -7.251
  541   1HD2  LEU  65          1HD2      LEU  65 -11.860   3.162  -9.126
  542   2HD2  LEU  65          2HD2      LEU  65 -11.177   3.600  -7.560
  543   3HD2  LEU  65          3HD2      LEU  65 -10.459   4.231  -9.041
  544    H    ASP  66           H        ASP  66 -10.566  -0.338 -12.691
  545    HA   ASP  66           HA       ASP  66 -10.041   1.593 -14.728
  546   1HB   ASP  66          1HB       ASP  66 -10.304  -1.406 -14.711
  547   2HB   ASP  66          2HB       ASP  66 -10.097  -0.515 -16.216
  548    H    ARG  67           H        ARG  67 -12.792  -0.421 -13.864
  549    HA   ARG  67           HA       ARG  67 -14.297   0.452 -16.195
  550   1HB   ARG  67          1HB       ARG  67 -14.355  -1.824 -14.553
  551   2HB   ARG  67          2HB       ARG  67 -15.863  -0.978 -14.232
  552   1HG   ARG  67          1HG       ARG  67 -16.116  -2.623 -16.009
  553   2HG   ARG  67          2HG       ARG  67 -16.397  -0.984 -16.601
  554   1HD   ARG  67          1HD       ARG  67 -14.132  -0.917 -17.510
  555   2HD   ARG  67          2HD       ARG  67 -13.836  -2.547 -16.904
  556    HE   ARG  67           HE       ARG  67 -16.102  -2.340 -18.669
  557   1HH1  ARG  67          1HH1      ARG  67 -12.661  -2.817 -18.441
  558   2HH1  ARG  67          2HH1      ARG  67 -12.541  -3.639 -19.962
  559   1HH2  ARG  67          1HH2      ARG  67 -15.958  -3.418 -20.675
  560   2HH2  ARG  67          2HH2      ARG  67 -14.417  -3.981 -21.232
  561    H    GLN  68           H        GLN  68 -13.472   2.416 -14.198
  562    HA   GLN  68           HA       GLN  68 -16.067   3.637 -13.785
  563   1HB   GLN  68          1HB       GLN  68 -14.210   3.042 -11.475
  564   2HB   GLN  68          2HB       GLN  68 -15.593   4.125 -11.386
  565   1HG   GLN  68          1HG       GLN  68 -17.125   2.371 -11.666
  566   2HG   GLN  68          2HG       GLN  68 -15.873   1.259 -12.216
  567   1HE2  GLN  68          2HE2      GLN  68 -13.998   1.172 -10.480
  568   2HE2  GLN  68          1HE2      GLN  68 -14.547   0.821  -8.881
  569    H    ALA  69           H        ALA  69 -12.723   4.067 -12.612
  570    HA   ALA  69           HA       ALA  69 -12.753   6.876 -12.882
  571   1HB   ALA  69          1HB       ALA  69 -11.013   4.963 -11.832
  572   2HB   ALA  69          2HB       ALA  69 -10.091   5.795 -13.084
  573   3HB   ALA  69          3HB       ALA  69 -10.832   6.716 -11.776
  574    H    ALA  70           H        ALA  70 -12.575   4.451 -15.210
  575    HA   ALA  70           HA       ALA  70 -10.970   5.946 -17.105
  576   1HB   ALA  70          1HB       ALA  70 -11.133   3.365 -16.842
  577   2HB   ALA  70          2HB       ALA  70 -12.578   3.534 -17.839
  578   3HB   ALA  70          3HB       ALA  70 -11.014   4.070 -18.453
  579    H    ALA  71           H        ALA  71 -13.762   6.737 -15.998
  580    HA   ALA  71           HA       ALA  71 -14.648   8.001 -18.388
  581   1HB   ALA  71          1HB       ALA  71 -16.344   5.794 -17.238
  582   2HB   ALA  71          2HB       ALA  71 -16.916   6.985 -18.407
  583   3HB   ALA  71          3HB       ALA  71 -15.631   5.861 -18.849
  584    H    LEU  72           H        LEU  72 -13.831   8.795 -15.762
  585    HA   LEU  72           HA       LEU  72 -14.385  10.373 -14.218
  586   1HB   LEU  72          1HB       LEU  72 -16.409  10.704 -16.304
  587   2HB   LEU  72          2HB       LEU  72 -16.959  11.216 -14.720
  588    HG   LEU  72           HG       LEU  72 -16.084  13.161 -15.671
  589   1HD1  LEU  72          1HD1      LEU  72 -15.065  12.323 -13.392
  590   2HD1  LEU  72          2HD1      LEU  72 -13.573  12.299 -14.332
  591   3HD1  LEU  72          3HD1      LEU  72 -14.488  13.798 -14.166
  592   1HD2  LEU  72          1HD2      LEU  72 -14.334  11.306 -17.052
  593   2HD2  LEU  72          2HD2      LEU  72 -14.876  12.917 -17.525
  594   3HD2  LEU  72          3HD2      LEU  72 -13.476  12.732 -16.468
  595    H    THR  73           H        THR  73 -17.641   9.109 -14.860
  596    HA   THR  73           HA       THR  73 -18.566   8.936 -12.318
  597    HB   THR  73           HB       THR  73 -20.165   8.392 -13.888
  598    HG1  THR  73           HG1      THR  73 -20.555   6.040 -13.642
  599   1HG2  THR  73          1HG2      THR  73 -18.084   6.670 -15.151
  600   2HG2  THR  73          2HG2      THR  73 -19.795   6.387 -15.477
  601   3HG2  THR  73          3HG2      THR  73 -19.070   7.948 -15.862
  602    H    ARG  74           H        ARG  74 -17.296   8.272 -10.672
  603    HA   ARG  74           HA       ARG  74 -15.632   5.947 -10.834
  604   1HB   ARG  74          1HB       ARG  74 -16.414   7.754  -8.549
  605   2HB   ARG  74          2HB       ARG  74 -15.343   6.375  -8.350
  606   1HG   ARG  74          1HG       ARG  74 -13.606   7.401  -9.358
  607   2HG   ARG  74          2HG       ARG  74 -14.637   8.268 -10.497
  608   1HD   ARG  74          1HD       ARG  74 -14.238   8.941  -7.583
  609   2HD   ARG  74          2HD       ARG  74 -13.554   9.810  -8.953
  610    HE   ARG  74           HE       ARG  74 -15.654  10.708  -9.420
  611   1HH1  ARG  74          1HH1      ARG  74 -15.794   8.509  -6.712
  612   2HH1  ARG  74          2HH1      ARG  74 -17.348   9.062  -6.186
  613   1HH2  ARG  74          1HH2      ARG  74 -17.700  11.430  -8.730
  614   2HH2  ARG  74          2HH2      ARG  74 -18.432  10.716  -7.332
  615    H    ASN  75           H        ASN  75 -18.846   6.649  -9.677
  616    HA   ASN  75           HA       ASN  75 -19.184   3.795  -9.043
  617   1HB   ASN  75          1HB       ASN  75 -19.042   5.143  -6.956
  618   2HB   ASN  75          2HB       ASN  75 -20.431   6.078  -7.497
  619   1HD2  ASN  75          2HD2      ASN  75 -19.694   2.610  -7.536
  620   2HD2  ASN  75          1HD2      ASN  75 -21.110   2.127  -6.672
  621    H    GLY  76           H        GLY  76 -20.579   2.945 -10.430
  622   1HA   GLY  76          1HA       GLY  76 -22.859   2.748 -11.175
  623   2HA   GLY  76          2HA       GLY  76 -22.980   4.501 -11.131
  Start of MODEL   17
    1   2H    MET   0          2H        MET   0  22.240   9.972  -2.099
    2   3H    MET   0          3H        MET   0  21.507   8.686  -1.229
    3   1H    MET   0          1H        MET   0  20.624   9.517  -2.445
    4    HA   MET   0           HA       MET   0  20.267  10.030   0.034
    5   1HB   MET   0          1HB       MET   0  22.862  11.321  -0.710
    6   2HB   MET   0          2HB       MET   0  21.785  12.155   0.401
    7   1HG   MET   0          1HG       MET   0  21.803  10.170   1.861
    8   2HG   MET   0          2HG       MET   0  22.957   9.409   0.768
    9   1HE   MET   0          1HE       MET   0  22.811  10.029   3.785
   10   2HE   MET   0          2HE       MET   0  24.362  10.669   4.328
   11   3HE   MET   0          3HE       MET   0  22.986  11.752   4.119
   12    H    GLN   1           H        GLN   1  18.335  10.686  -0.817
   13    HA   GLN   1           HA       GLN   1  18.346  13.197  -2.358
   14   1HB   GLN   1          1HB       GLN   1  16.913  10.696  -2.711
   15   2HB   GLN   1          2HB       GLN   1  15.814  12.066  -2.626
   16   1HG   GLN   1          1HG       GLN   1  18.139  12.497  -4.347
   17   2HG   GLN   1          2HG       GLN   1  17.073  11.195  -4.872
   18   1HE2  GLN   1          2HE2      GLN   1  17.626  13.885  -5.989
   19   2HE2  GLN   1          1HE2      GLN   1  16.079  14.637  -6.145
   20    H    HIS   2           H        HIS   2  18.592  14.014  -0.024
   21    HA   HIS   2           HA       HIS   2  17.669  15.324   1.598
   22   1HB   HIS   2          1HB       HIS   2  16.004  15.825  -0.319
   23   2HB   HIS   2          2HB       HIS   2  14.919  14.732   0.534
   24    HD1  HIS   2           HD1      HIS   2  14.184  17.688   0.197
   25    HD2  HIS   2           HD2      HIS   2  16.172  16.153   3.507
   26    HE1  HIS   2           HE1      HIS   2  13.738  19.314   2.063
   27    HE2  HIS   2           HE2      HIS   2  15.021  18.408   4.033
   28    H    HIS   3           H        HIS   3  15.104  12.906   1.069
   29    HA   HIS   3           HA       HIS   3  15.719  11.761   3.699
   30   1HB   HIS   3          1HB       HIS   3  13.221  13.093   2.855
   31   2HB   HIS   3          2HB       HIS   3  13.013  11.553   3.683
   32    HD1  HIS   3           HD1      HIS   3  12.144  14.282   4.923
   33    HD2  HIS   3           HD2      HIS   3  15.731  12.336   5.705
   34    HE1  HIS   3           HE1      HIS   3  12.904  15.146   7.158
   35    HE2  HIS   3           HE2      HIS   3  15.025  13.880   7.655
   36    H    GLY   4           H        GLY   4  15.855   9.615   3.650
   37   1HA   GLY   4          1HA       GLY   4  15.023   7.451   3.100
   38   2HA   GLY   4          2HA       GLY   4  14.293   8.131   1.653
   39    H    VAL   5           H        VAL   5  16.793   6.282   2.807
   40    HA   VAL   5           HA       VAL   5  18.339   6.696   0.332
   41    HB   VAL   5           HB       VAL   5  20.368   6.008   1.547
   42   1HG1  VAL   5          1HG1      VAL   5  19.238   8.461   1.488
   43   2HG1  VAL   5          2HG1      VAL   5  19.433   8.237   3.227
   44   3HG1  VAL   5          3HG1      VAL   5  20.834   8.125   2.162
   45   1HG2  VAL   5          1HG2      VAL   5  18.478   5.286   3.558
   46   2HG2  VAL   5          2HG2      VAL   5  20.214   4.981   3.509
   47   3HG2  VAL   5          3HG2      VAL   5  19.601   6.471   4.227
   48    H    THR   6           H        THR   6  16.330   4.962   0.157
   49    HA   THR   6           HA       THR   6  17.504   2.300   0.591
   50    HB   THR   6           HB       THR   6  15.395   2.425   1.673
   51    HG1  THR   6           HG1      THR   6  15.072   0.547   0.818
   52   1HG2  THR   6          1HG2      THR   6  14.320   3.605  -0.872
   53   2HG2  THR   6          2HG2      THR   6  13.311   2.997   0.440
   54   3HG2  THR   6          3HG2      THR   6  14.394   4.360   0.721
   55    H    LYS   7           H        LYS   7  17.055   4.594  -1.764
   56    HA   LYS   7           HA       LYS   7  17.484   4.548  -4.006
   57   1HB   LYS   7          1HB       LYS   7  18.588   2.133  -3.110
   58   2HB   LYS   7          2HB       LYS   7  17.585   1.696  -4.487
   59   1HG   LYS   7          1HG       LYS   7  18.791   3.112  -5.941
   60   2HG   LYS   7          2HG       LYS   7  19.610   3.912  -4.597
   61   1HD   LYS   7          1HD       LYS   7  19.926   0.968  -5.061
   62   2HD   LYS   7          2HD       LYS   7  20.899   2.136  -5.956
   63   1HE   LYS   7          1HE       LYS   7  22.277   1.769  -4.171
   64   2HE   LYS   7          2HE       LYS   7  21.323   3.112  -3.543
   65   1HZ   LYS   7          1HZ       LYS   7  20.413   0.360  -3.063
   66   2HZ   LYS   7          2HZ       LYS   7  21.673   0.984  -2.123
   67   3HZ   LYS   7          3HZ       LYS   7  20.163   1.751  -2.133
   68    H    CYS   8           H        CYS   8  14.909   4.666  -3.075
   69    HA   CYS   8           HA       CYS   8  13.287   4.452  -5.179
   70   1HB   CYS   8          1HB       CYS   8  13.629   2.167  -5.608
   71   2HB   CYS   8          2HB       CYS   8  13.559   1.744  -3.901
   72    H    ASN   9           H        ASN   9  11.806   5.814  -4.435
   73    HA   ASN   9           HA       ASN   9  11.138   6.421  -1.876
   74   1HB   ASN   9          1HB       ASN   9   9.103   7.402  -2.701
   75   2HB   ASN   9          2HB       ASN   9  10.342   7.609  -3.935
   76   1HD2  ASN   9          2HD2      ASN   9   9.973   6.852  -5.920
   77   2HD2  ASN   9          1HD2      ASN   9   8.609   5.898  -6.381
   78    H    ILE  10           H        ILE  10   9.520   3.973  -3.886
   79    HA   ILE  10           HA       ILE  10   8.595   2.679  -1.413
   80    HB   ILE  10           HB       ILE  10   6.708   3.912  -2.397
   81   1HG1  ILE  10          1HG1      ILE  10   6.084   1.048  -2.939
   82   2HG1  ILE  10          2HG1      ILE  10   6.664   1.476  -1.332
   83   1HG2  ILE  10          1HG2      ILE  10   7.779   3.097  -4.819
   84   2HG2  ILE  10          2HG2      ILE  10   6.290   2.163  -4.666
   85   3HG2  ILE  10          3HG2      ILE  10   6.240   3.924  -4.574
   86   1HD1  ILE  10          1HD1      ILE  10   4.844   3.153  -1.196
   87   2HD1  ILE  10          2HD1      ILE  10   4.222   2.530  -2.724
   88   3HD1  ILE  10          3HD1      ILE  10   4.286   1.484  -1.306
   89    H    THR  11           H        THR  11   9.729   0.840  -1.371
   90    HA   THR  11           HA       THR  11  10.062  -0.669  -3.871
   91    HB   THR  11           HB       THR  11  12.049   0.052  -2.334
   92    HG1  THR  11           HG1      THR  11  11.770  -2.609  -3.270
   93   1HG2  THR  11          1HG2      THR  11  10.962  -0.998  -0.290
   94   2HG2  THR  11          2HG2      THR  11  11.419  -2.550  -0.992
   95   3HG2  THR  11          3HG2      THR  11  12.661  -1.366  -0.587
   96    H    CYS  12           H        CYS  12   9.274  -2.701  -4.091
   97    HA   CYS  12           HA       CYS  12   7.268  -3.558  -2.230
   98   1HB   CYS  12          1HB       CYS  12   8.346  -4.787  -4.768
   99   2HB   CYS  12          2HB       CYS  12   7.047  -5.505  -3.821
  100    H    SER  13           H        SER  13   8.505  -3.931  -0.330
  101    HA   SER  13           HA       SER  13  10.605  -5.879  -0.288
  102   1HB   SER  13          1HB       SER  13  10.107  -5.686   2.283
  103   2HB   SER  13          2HB       SER  13  10.845  -4.331   1.429
  104    HG   SER  13           HG       SER  13   8.955  -3.253   1.474
  105    H    LYS  14           H        LYS  14   7.268  -5.835   0.959
  106    HA   LYS  14           HA       LYS  14   7.222  -8.763   0.690
  107   1HB   LYS  14          1HB       LYS  14   5.472  -8.120   2.793
  108   2HB   LYS  14          2HB       LYS  14   6.996  -8.991   2.899
  109   1HG   LYS  14          1HG       LYS  14   7.314  -7.312   4.428
  110   2HG   LYS  14          2HG       LYS  14   8.038  -6.605   2.982
  111   1HD   LYS  14          1HD       LYS  14   6.031  -5.330   2.553
  112   2HD   LYS  14          2HD       LYS  14   5.204  -6.117   3.898
  113   1HE   LYS  14          1HE       LYS  14   6.675  -5.088   5.486
  114   2HE   LYS  14          2HE       LYS  14   7.699  -4.452   4.197
  115   1HZ   LYS  14          1HZ       LYS  14   4.862  -3.698   4.265
  116   2HZ   LYS  14          2HZ       LYS  14   5.933  -2.945   5.336
  117   3HZ   LYS  14          3HZ       LYS  14   6.188  -2.835   3.668
  118    H    MET  15           H        MET  15   4.718  -9.404   1.193
  119    HA   MET  15           HA       MET  15   3.145  -7.749  -0.671
  120   1HB   MET  15          1HB       MET  15   2.627 -10.659  -0.091
  121   2HB   MET  15          2HB       MET  15   2.045  -9.697  -1.442
  122   1HG   MET  15          1HG       MET  15   4.976 -10.087  -1.106
  123   2HG   MET  15          2HG       MET  15   3.999 -11.410  -1.741
  124   1HE   MET  15          1HE       MET  15   5.165  -7.731  -2.208
  125   2HE   MET  15          2HE       MET  15   6.333  -8.883  -2.854
  126   3HE   MET  15          3HE       MET  15   5.492  -7.777  -3.941
  127    H    THR  16           H        THR  16   1.259  -6.923  -0.008
  128    HA   THR  16           HA       THR  16   0.514  -7.192   2.757
  129    HB   THR  16           HB       THR  16   0.367  -5.030   1.577
  130    HG1  THR  16           HG1      THR  16  -1.198  -4.560   2.872
  131   1HG2  THR  16          1HG2      THR  16  -0.472  -6.091  -0.599
  132   2HG2  THR  16          2HG2      THR  16  -2.067  -6.020   0.152
  133   3HG2  THR  16          3HG2      THR  16  -1.147  -4.537  -0.107
  134    H    SER  17           H        SER  17  -2.172  -7.103   2.856
  135    HA   SER  17           HA       SER  17  -2.937  -9.754   1.843
  136   1HB   SER  17          1HB       SER  17  -3.104  -8.637   4.409
  137   2HB   SER  17          2HB       SER  17  -4.760  -8.649   3.805
  138    HG   SER  17           HG       SER  17  -4.674 -10.663   4.435
  139    H    LYS  18           H        LYS  18  -5.475  -9.902   1.668
  140    HA   LYS  18           HA       LYS  18  -6.216  -8.283  -0.526
  141   1HB   LYS  18          1HB       LYS  18  -7.193 -10.412  -0.487
  142   2HB   LYS  18          2HB       LYS  18  -7.681 -10.259   1.196
  143   1HG   LYS  18          1HG       LYS  18  -9.604  -9.216   0.684
  144   2HG   LYS  18          2HG       LYS  18  -8.883  -8.308  -0.646
  145   1HD   LYS  18          1HD       LYS  18 -10.498  -9.830  -1.556
  146   2HD   LYS  18          2HD       LYS  18  -8.886 -10.399  -1.995
  147   1HE   LYS  18          1HE       LYS  18 -10.314 -11.424   0.437
  148   2HE   LYS  18          2HE       LYS  18 -10.577 -12.131  -1.158
  149   1HZ   LYS  18          1HZ       LYS  18  -7.941 -12.154  -1.089
  150   2HZ   LYS  18          2HZ       LYS  18  -8.237 -12.264   0.573
  151   3HZ   LYS  18          3HZ       LYS  18  -8.873 -13.427  -0.478
  152    H    ILE  19           H        ILE  19  -5.851  -6.158   0.442
  153    HA   ILE  19           HA       ILE  19  -7.487  -5.186   2.551
  154    HB   ILE  19           HB       ILE  19  -6.037  -3.624   0.409
  155   1HG1  ILE  19          1HG1      ILE  19  -5.080  -4.005   3.227
  156   2HG1  ILE  19          2HG1      ILE  19  -4.748  -5.235   2.012
  157   1HG2  ILE  19          1HG2      ILE  19  -7.935  -2.565   1.869
  158   2HG2  ILE  19          2HG2      ILE  19  -6.684  -2.550   3.111
  159   3HG2  ILE  19          3HG2      ILE  19  -6.425  -1.695   1.590
  160   1HD1  ILE  19          1HD1      ILE  19  -3.970  -2.339   1.779
  161   2HD1  ILE  19          2HD1      ILE  19  -2.902  -3.641   2.306
  162   3HD1  ILE  19          3HD1      ILE  19  -3.551  -3.641   0.665
  163    HA   PRO  20           HA       PRO  20 -11.362  -4.513   0.550
  164   1HB   PRO  20          1HB       PRO  20 -12.074  -2.203   1.913
  165   2HB   PRO  20          2HB       PRO  20 -12.329  -3.848   2.501
  166   1HG   PRO  20          1HG       PRO  20 -10.139  -1.921   3.148
  167   2HG   PRO  20          2HG       PRO  20 -10.997  -3.047   4.217
  168   1HD   PRO  20          1HD       PRO  20  -8.535  -3.588   3.326
  169   2HD   PRO  20          2HD       PRO  20  -9.751  -4.872   3.498
  170    H    VAL  21           H        VAL  21 -11.920  -3.547  -1.302
  171    HA   VAL  21           HA       VAL  21 -10.229  -1.623  -2.523
  172    HB   VAL  21           HB       VAL  21 -12.997  -1.945  -3.554
  173   1HG1  VAL  21          1HG1      VAL  21 -10.586  -0.981  -4.520
  174   2HG1  VAL  21          2HG1      VAL  21 -10.783  -2.537  -5.326
  175   3HG1  VAL  21          3HG1      VAL  21 -12.041  -1.309  -5.462
  176   1HG2  VAL  21          1HG2      VAL  21 -11.095  -4.202  -3.154
  177   2HG2  VAL  21          2HG2      VAL  21 -12.855  -4.174  -3.043
  178   3HG2  VAL  21          3HG2      VAL  21 -12.070  -4.154  -4.623
  179    H    ALA  22           H        ALA  22 -12.972  -1.392  -0.467
  180    HA   ALA  22           HA       ALA  22 -14.009   1.091  -1.210
  181   1HB   ALA  22          1HB       ALA  22 -14.809  -0.698   0.542
  182   2HB   ALA  22          2HB       ALA  22 -13.935   0.337   1.669
  183   3HB   ALA  22          3HB       ALA  22 -15.258   1.000   0.707
  184    H    LEU  23           H        LEU  23 -10.987   0.330   0.107
  185    HA   LEU  23           HA       LEU  23 -10.619   3.047   1.164
  186   1HB   LEU  23          1HB       LEU  23  -8.628   0.821   1.440
  187   2HB   LEU  23          2HB       LEU  23  -8.822   2.250   2.438
  188    HG   LEU  23           HG       LEU  23 -10.632  -0.163   2.380
  189   1HD1  LEU  23          1HD1      LEU  23  -8.658   0.921   4.367
  190   2HD1  LEU  23          2HD1      LEU  23  -9.924  -0.224   4.811
  191   3HD1  LEU  23          3HD1      LEU  23  -8.702  -0.678   3.623
  192   1HD2  LEU  23          1HD2      LEU  23 -11.447   2.403   2.841
  193   2HD2  LEU  23          2HD2      LEU  23 -12.220   0.955   3.486
  194   3HD2  LEU  23          3HD2      LEU  23 -11.048   1.839   4.464
  195    H    LEU  24           H        LEU  24  -9.694   0.890  -1.373
  196    HA   LEU  24           HA       LEU  24  -7.334   2.283  -2.177
  197   1HB   LEU  24          1HB       LEU  24  -9.036   0.524  -3.927
  198   2HB   LEU  24          2HB       LEU  24  -7.323   0.860  -4.078
  199    HG   LEU  24           HG       LEU  24  -8.572  -0.705  -1.817
  200   1HD1  LEU  24          1HD1      LEU  24  -8.722  -1.824  -4.032
  201   2HD1  LEU  24          2HD1      LEU  24  -6.964  -1.730  -4.148
  202   3HD1  LEU  24          3HD1      LEU  24  -7.713  -2.680  -2.864
  203   1HD2  LEU  24          1HD2      LEU  24  -5.985   0.491  -2.188
  204   2HD2  LEU  24          2HD2      LEU  24  -6.632  -0.366  -0.790
  205   3HD2  LEU  24          3HD2      LEU  24  -5.844  -1.264  -2.087
  206    H    ILE  25           H        ILE  25  -7.053   3.788  -3.792
  207    HA   ILE  25           HA       ILE  25  -9.496   4.890  -5.011
  208    HB   ILE  25           HB       ILE  25  -8.831   7.118  -4.630
  209   1HG1  ILE  25          1HG1      ILE  25  -6.206   6.041  -3.575
  210   2HG1  ILE  25          2HG1      ILE  25  -6.436   6.832  -5.131
  211   1HG2  ILE  25          1HG2      ILE  25  -8.530   5.347  -2.242
  212   2HG2  ILE  25          2HG2      ILE  25  -8.333   7.093  -2.083
  213   3HG2  ILE  25          3HG2      ILE  25  -9.854   6.427  -2.677
  214   1HD1  ILE  25          1HD1      ILE  25  -7.455   8.640  -3.309
  215   2HD1  ILE  25          2HD1      ILE  25  -6.026   7.980  -2.515
  216   3HD1  ILE  25          3HD1      ILE  25  -5.887   8.718  -4.111
  217    H    HIS  26           H        HIS  26  -6.010   4.432  -5.209
  218    HA   HIS  26           HA       HIS  26  -6.179   4.352  -8.095
  219   1HB   HIS  26          1HB       HIS  26  -5.031   6.648  -6.644
  220   2HB   HIS  26          2HB       HIS  26  -4.011   5.989  -7.920
  221    HD1  HIS  26           HD1      HIS  26  -6.607   5.224  -9.715
  222    HD2  HIS  26           HD2      HIS  26  -5.592   8.940  -8.158
  223    HE1  HIS  26           HE1      HIS  26  -7.766   6.907 -11.181
  224    HE2  HIS  26           HE2      HIS  26  -7.072   9.150 -10.268
  225    H    TYR  27           H        TYR  27  -4.472   3.265  -9.064
  226    HA   TYR  27           HA       TYR  27  -2.435   2.159  -7.250
  227   1HB   TYR  27          1HB       TYR  27  -2.688  -0.019  -8.149
  228   2HB   TYR  27          2HB       TYR  27  -4.321   0.544  -7.810
  229    HD1  TYR  27           HD1      TYR  27  -5.740   1.385  -9.723
  230    HD2  TYR  27           HD2      TYR  27  -2.038  -0.640 -10.335
  231    HE1  TYR  27           HE1      TYR  27  -6.385   0.920 -12.056
  232    HE2  TYR  27           HE2      TYR  27  -2.673  -1.110 -12.667
  233    HH   TYR  27           HH       TYR  27  -4.327   0.074 -14.401
  234    H    GLN  28           H        GLN  28  -0.437   1.579  -8.237
  235    HA   GLN  28           HA       GLN  28  -0.028   2.466 -10.988
  236   1HB   GLN  28          1HB       GLN  28   2.228   3.459  -9.811
  237   2HB   GLN  28          2HB       GLN  28   0.825   4.416 -10.265
  238   1HG   GLN  28          1HG       GLN  28   0.576   3.171  -7.648
  239   2HG   GLN  28          2HG       GLN  28   1.938   4.283  -7.772
  240   1HE2  GLN  28          2HE2      GLN  28  -0.021   4.914  -6.063
  241   2HE2  GLN  28          1HE2      GLN  28  -0.971   6.224  -6.666
  242    H    GLN  29           H        GLN  29   2.226   1.916 -11.750
  243    HA   GLN  29           HA       GLN  29   2.793  -0.814 -10.978
  244   1HB   GLN  29          1HB       GLN  29   2.999   0.662 -13.348
  245   2HB   GLN  29          2HB       GLN  29   4.659   0.314 -12.883
  246   1HG   GLN  29          1HG       GLN  29   4.308  -1.585 -14.013
  247   2HG   GLN  29          2HG       GLN  29   3.545  -2.108 -12.513
  248   1HE2  GLN  29          2HE2      GLN  29   1.167  -0.874 -12.528
  249   2HE2  GLN  29          1HE2      GLN  29   0.220  -1.374 -13.884
  250    H    ASN  30           H        ASN  30   5.193  -1.445 -10.865
  251    HA   ASN  30           HA       ASN  30   6.537   0.438  -9.041
  252   1HB   ASN  30          1HB       ASN  30   5.864  -1.675  -7.980
  253   2HB   ASN  30          2HB       ASN  30   6.782  -2.576  -9.183
  254   1HD2  ASN  30          2HD2      ASN  30   7.858  -3.478  -7.314
  255   2HD2  ASN  30          1HD2      ASN  30   9.175  -2.618  -6.599
  256    H    GLN  31           H        GLN  31   8.764   0.768  -9.220
  257    HA   GLN  31           HA       GLN  31   9.785   0.602 -11.891
  258   1HB   GLN  31          1HB       GLN  31  10.680   1.791  -9.318
  259   2HB   GLN  31          2HB       GLN  31  11.921   1.444 -10.513
  260   1HG   GLN  31          1HG       GLN  31  11.387   3.239 -11.688
  261   2HG   GLN  31          2HG       GLN  31   9.689   2.767 -11.745
  262   1HE2  GLN  31          2HE2      GLN  31   8.271   3.940 -10.644
  263   2HE2  GLN  31          1HE2      GLN  31   8.662   5.149  -9.472
  264    H    ALA  32           H        ALA  32  11.425  -0.657 -12.688
  265    HA   ALA  32           HA       ALA  32  11.802  -3.207 -11.504
  266   1HB   ALA  32          1HB       ALA  32  13.023  -1.836 -13.879
  267   2HB   ALA  32          2HB       ALA  32  13.536  -3.443 -13.367
  268   3HB   ALA  32          3HB       ALA  32  11.863  -3.162 -13.845
  269    H    SER  33           H        SER  33  13.183  -0.278 -10.764
  270    HA   SER  33           HA       SER  33  15.707  -1.495  -9.876
  271   1HB   SER  33          1HB       SER  33  16.754   0.496 -10.221
  272   2HB   SER  33          2HB       SER  33  15.393   0.782 -11.305
  273    HG   SER  33           HG       SER  33  16.078   2.149  -9.139
  274    H    CYS  34           H        CYS  34  12.938  -1.535  -8.600
  275    HA   CYS  34           HA       CYS  34  13.601  -0.244  -6.046
  276   1HB   CYS  34          1HB       CYS  34  11.012  -1.096  -7.306
  277   2HB   CYS  34          2HB       CYS  34  11.120  -0.867  -5.565
  278    H    GLY  35           H        GLY  35  11.430  -2.972  -6.523
  279   1HA   GLY  35          1HA       GLY  35  13.324  -4.798  -5.259
  280   2HA   GLY  35          2HA       GLY  35  11.855  -4.446  -4.363
  281    H    LYS  36           H        LYS  36  10.421  -6.021  -4.548
  282    HA   LYS  36           HA       LYS  36  10.513  -7.966  -6.622
  283   1HB   LYS  36          1HB       LYS  36   8.279  -7.437  -4.664
  284   2HB   LYS  36          2HB       LYS  36   8.544  -8.916  -5.568
  285   1HG   LYS  36          1HG       LYS  36  10.850  -8.854  -4.327
  286   2HG   LYS  36          2HG       LYS  36   9.957  -7.856  -3.183
  287   1HD   LYS  36          1HD       LYS  36   8.240  -9.653  -3.053
  288   2HD   LYS  36          2HD       LYS  36   9.278 -10.659  -4.067
  289   1HE   LYS  36          1HE       LYS  36  11.057 -10.010  -2.200
  290   2HE   LYS  36          2HE       LYS  36   9.592  -9.848  -1.231
  291   1HZ   LYS  36          1HZ       LYS  36   9.349 -12.219  -2.640
  292   2HZ   LYS  36          2HZ       LYS  36  10.932 -12.199  -2.040
  293   3HZ   LYS  36          3HZ       LYS  36   9.623 -12.035  -0.981
  294    H    ARG  37           H        ARG  37   9.101  -8.323  -8.331
  295    HA   ARG  37           HA       ARG  37   8.003  -5.978  -9.536
  296   1HB   ARG  37          1HB       ARG  37   7.569  -8.837 -10.401
  297   2HB   ARG  37          2HB       ARG  37   7.441  -7.392 -11.393
  298   1HG   ARG  37          1HG       ARG  37   9.955  -7.083 -10.738
  299   2HG   ARG  37          2HG       ARG  37   9.867  -8.816 -10.421
  300   1HD   ARG  37          1HD       ARG  37   8.646  -8.689 -12.828
  301   2HD   ARG  37          2HD       ARG  37   9.775  -7.344 -12.970
  302    HE   ARG  37           HE       ARG  37  11.052  -9.691 -11.986
  303   1HH1  ARG  37          1HH1      ARG  37   9.859  -8.170 -14.881
  304   2HH1  ARG  37          2HH1      ARG  37  10.955  -9.005 -15.929
  305   1HH2  ARG  37          1HH2      ARG  37  12.503 -10.798 -13.356
  306   2HH2  ARG  37          2HH2      ARG  37  12.460 -10.500 -15.062
  307    H    ALA  38           H        ALA  38   6.436  -5.297  -7.996
  308    HA   ALA  38           HA       ALA  38   3.944  -6.862  -8.121
  309   1HB   ALA  38          1HB       ALA  38   5.254  -6.791  -5.864
  310   2HB   ALA  38          2HB       ALA  38   4.547  -5.182  -5.730
  311   3HB   ALA  38          3HB       ALA  38   3.502  -6.595  -5.878
  312    H    ILE  39           H        ILE  39   2.201  -5.174  -6.957
  313    HA   ILE  39           HA       ILE  39   2.289  -2.805  -8.708
  314    HB   ILE  39           HB       ILE  39  -0.088  -4.326  -7.636
  315   1HG1  ILE  39          1HG1      ILE  39   1.353  -5.063  -9.721
  316   2HG1  ILE  39          2HG1      ILE  39  -0.404  -5.151  -9.767
  317   1HG2  ILE  39          1HG2      ILE  39   0.016  -1.759  -9.208
  318   2HG2  ILE  39          2HG2      ILE  39  -1.441  -2.723  -8.968
  319   3HG2  ILE  39          3HG2      ILE  39  -0.629  -1.990  -7.584
  320   1HD1  ILE  39          1HD1      ILE  39  -0.440  -2.967 -10.916
  321   2HD1  ILE  39          2HD1      ILE  39   1.324  -2.990 -10.945
  322   3HD1  ILE  39          3HD1      ILE  39   0.410  -4.221 -11.820
  323    H    ILE  40           H        ILE  40   1.272  -0.851  -7.893
  324    HA   ILE  40           HA       ILE  40   1.613  -0.591  -4.980
  325    HB   ILE  40           HB       ILE  40   1.588   1.673  -6.968
  326   1HG1  ILE  40          1HG1      ILE  40   3.423   0.283  -7.637
  327   2HG1  ILE  40          2HG1      ILE  40   4.096   1.625  -6.716
  328   1HG2  ILE  40          1HG2      ILE  40   1.599   1.539  -4.146
  329   2HG2  ILE  40          2HG2      ILE  40   3.186   2.120  -4.654
  330   3HG2  ILE  40          3HG2      ILE  40   1.729   2.966  -5.175
  331   1HD1  ILE  40          1HD1      ILE  40   3.552  -0.469  -4.899
  332   2HD1  ILE  40          2HD1      ILE  40   4.400  -1.157  -6.283
  333   3HD1  ILE  40          3HD1      ILE  40   5.113   0.188  -5.390
  334    H    LEU  41           H        LEU  41  -0.085  -0.085  -3.743
  335    HA   LEU  41           HA       LEU  41  -2.548   0.819  -5.086
  336   1HB   LEU  41          1HB       LEU  41  -2.156  -1.059  -2.772
  337   2HB   LEU  41          2HB       LEU  41  -3.696  -0.278  -3.075
  338    HG   LEU  41           HG       LEU  41  -2.262  -2.147  -4.967
  339   1HD1  LEU  41          1HD1      LEU  41  -4.752  -2.509  -3.306
  340   2HD1  LEU  41          2HD1      LEU  41  -4.141  -3.652  -4.502
  341   3HD1  LEU  41          3HD1      LEU  41  -3.199  -3.306  -3.051
  342   1HD2  LEU  41          1HD2      LEU  41  -4.792  -0.549  -5.211
  343   2HD2  LEU  41          2HD2      LEU  41  -3.437  -0.653  -6.334
  344   3HD2  LEU  41          3HD2      LEU  41  -4.530  -2.025  -6.142
  345    H    GLU  42           H        GLU  42  -3.252   2.759  -4.517
  346    HA   GLU  42           HA       GLU  42  -2.306   3.909  -1.978
  347   1HB   GLU  42          1HB       GLU  42  -1.536   5.106  -3.983
  348   2HB   GLU  42          2HB       GLU  42  -3.205   5.329  -4.491
  349   1HG   GLU  42          1HG       GLU  42  -3.486   6.500  -2.199
  350   2HG   GLU  42          2HG       GLU  42  -1.728   6.618  -2.239
  351    H    THR  43           H        THR  43  -3.756   4.394  -0.452
  352    HA   THR  43           HA       THR  43  -6.604   4.183  -1.159
  353    HB   THR  43           HB       THR  43  -7.035   3.624   1.121
  354    HG1  THR  43           HG1      THR  43  -5.410   3.729   2.690
  355   1HG2  THR  43          1HG2      THR  43  -4.575   2.243   0.104
  356   2HG2  THR  43          2HG2      THR  43  -5.396   1.765   1.590
  357   3HG2  THR  43          3HG2      THR  43  -6.249   1.690   0.048
  358    H    ARG  44           H        ARG  44  -8.104   5.578   0.110
  359    HA   ARG  44           HA       ARG  44  -7.615   8.277  -0.350
  360   1HB   ARG  44          1HB       ARG  44  -9.550   7.144   1.678
  361   2HB   ARG  44          2HB       ARG  44  -9.644   8.716   0.893
  362   1HG   ARG  44          1HG       ARG  44 -10.047   7.666  -1.245
  363   2HG   ARG  44          2HG       ARG  44  -9.846   6.067  -0.525
  364   1HD   ARG  44          1HD       ARG  44 -12.028   8.071   0.019
  365   2HD   ARG  44          2HD       ARG  44 -12.187   6.486  -0.737
  366    HE   ARG  44           HE       ARG  44 -11.115   6.121   1.813
  367   1HH1  ARG  44          1HH1      ARG  44 -14.069   7.214   0.331
  368   2HH1  ARG  44          2HH1      ARG  44 -15.073   6.707   1.649
  369   1HH2  ARG  44          1HH2      ARG  44 -12.424   5.451   3.558
  370   2HH2  ARG  44          2HH2      ARG  44 -14.137   5.708   3.485
  371    H    GLN  45           H        GLN  45  -6.516   6.302   2.194
  372    HA   GLN  45           HA       GLN  45  -5.960   8.629   3.900
  373   1HB   GLN  45          1HB       GLN  45  -5.563   5.742   4.662
  374   2HB   GLN  45          2HB       GLN  45  -5.692   7.137   5.724
  375   1HG   GLN  45          1HG       GLN  45  -8.002   7.313   5.401
  376   2HG   GLN  45          2HG       GLN  45  -7.968   6.276   3.975
  377   1HE2  GLN  45          2HE2      GLN  45  -8.539   4.241   4.245
  378   2HE2  GLN  45          1HE2      GLN  45  -8.587   3.391   5.748
  379    H    HIS  46           H        HIS  46  -4.500   8.167   1.482
  380    HA   HIS  46           HA       HIS  46  -2.381   7.974   0.660
  381   1HB   HIS  46          1HB       HIS  46  -2.012   9.168   3.388
  382   2HB   HIS  46          2HB       HIS  46  -0.611   8.811   2.386
  383    HD1  HIS  46           HD1      HIS  46  -2.307   9.660  -0.289
  384    HD2  HIS  46           HD2      HIS  46  -1.525  11.930   3.103
  385    HE1  HIS  46           HE1      HIS  46  -2.507  12.057  -1.023
  386    HE2  HIS  46           HE2      HIS  46  -2.116  13.410   1.066
  387    H    ARG  47           H        ARG  47  -3.233   5.522   1.240
  388    HA   ARG  47           HA       ARG  47  -1.112   4.240   2.819
  389   1HB   ARG  47          1HB       ARG  47  -3.563   3.777   3.316
  390   2HB   ARG  47          2HB       ARG  47  -3.619   2.935   1.774
  391   1HG   ARG  47          1HG       ARG  47  -1.506   1.712   2.844
  392   2HG   ARG  47          2HG       ARG  47  -2.371   2.137   4.322
  393   1HD   ARG  47          1HD       ARG  47  -3.666   0.738   1.993
  394   2HD   ARG  47          2HD       ARG  47  -2.917  -0.121   3.337
  395    HE   ARG  47           HE       ARG  47  -5.482   1.064   3.320
  396   1HH1  ARG  47          1HH1      ARG  47  -2.703   0.595   5.366
  397   2HH1  ARG  47          2HH1      ARG  47  -3.616   0.657   6.838
  398   1HH2  ARG  47          1HH2      ARG  47  -6.692   1.145   5.251
  399   2HH2  ARG  47          2HH2      ARG  47  -5.883   0.968   6.773
  400    H    LEU  48           H        LEU  48   0.590   3.758   1.588
  401    HA   LEU  48           HA       LEU  48   0.134   2.723  -1.125
  402   1HB   LEU  48          1HB       LEU  48   2.671   3.798   0.109
  403   2HB   LEU  48          2HB       LEU  48   2.480   3.276  -1.554
  404    HG   LEU  48           HG       LEU  48   1.124   5.648  -0.269
  405   1HD1  LEU  48          1HD1      LEU  48   3.651   5.643  -0.945
  406   2HD1  LEU  48          2HD1      LEU  48   3.003   5.788  -2.579
  407   3HD1  LEU  48          3HD1      LEU  48   2.615   7.007  -1.365
  408   1HD2  LEU  48          1HD2      LEU  48  -0.194   4.369  -2.029
  409   2HD2  LEU  48          2HD2      LEU  48   0.076   6.086  -2.326
  410   3HD2  LEU  48          3HD2      LEU  48   1.047   4.882  -3.172
  411    H    PHE  49           H        PHE  49   0.094   0.575  -1.214
  412    HA   PHE  49           HA       PHE  49   2.142  -0.919   0.276
  413   1HB   PHE  49          1HB       PHE  49  -0.814  -1.422   0.156
  414   2HB   PHE  49          2HB       PHE  49   0.301  -2.763   0.395
  415    HD1  PHE  49           HD1      PHE  49  -0.396   0.642   1.754
  416    HD2  PHE  49           HD2      PHE  49   0.837  -3.362   2.549
  417    HE1  PHE  49           HE1      PHE  49  -0.315   1.151   4.163
  418    HE2  PHE  49           HE2      PHE  49   0.921  -2.860   4.962
  419    HZ   PHE  49           HZ       PHE  49   0.344  -0.602   5.771
  420    H    CYS  50           H        CYS  50   2.954  -2.763  -0.733
  421    HA   CYS  50           HA       CYS  50   2.621  -2.786  -3.618
  422   1HB   CYS  50          1HB       CYS  50   4.628  -3.851  -1.696
  423   2HB   CYS  50          2HB       CYS  50   4.452  -4.691  -3.233
  424    H    ALA  51           H        ALA  51   0.925  -3.900  -4.351
  425    HA   ALA  51           HA       ALA  51   0.298  -6.494  -3.113
  426   1HB   ALA  51          1HB       ALA  51  -1.473  -4.691  -3.211
  427   2HB   ALA  51          2HB       ALA  51  -1.496  -4.938  -4.958
  428   3HB   ALA  51          3HB       ALA  51  -1.925  -6.262  -3.873
  429    H    ASP  52           H        ASP  52   1.164  -8.159  -4.157
  430    HA   ASP  52           HA       ASP  52   2.226  -8.131  -6.728
  431   1HB   ASP  52          1HB       ASP  52   1.867 -10.043  -4.638
  432   2HB   ASP  52          2HB       ASP  52   1.356 -10.781  -6.154
  433    HA   PRO  53           HA       PRO  53  -1.312  -8.025  -9.393
  434   1HB   PRO  53          1HB       PRO  53   0.480  -9.589 -11.182
  435   2HB   PRO  53          2HB       PRO  53  -0.415  -8.100 -11.508
  436   1HG   PRO  53          1HG       PRO  53   2.218  -8.047 -11.115
  437   2HG   PRO  53          2HG       PRO  53   1.173  -6.763 -10.480
  438   1HD   PRO  53          1HD       PRO  53   2.476  -9.034  -9.044
  439   2HD   PRO  53          2HD       PRO  53   2.182  -7.370  -8.497
  440    H    LYS  54           H        LYS  54   0.566 -11.039  -9.165
  441    HA   LYS  54           HA       LYS  54  -1.239 -12.847 -10.155
  442   1HB   LYS  54          1HB       LYS  54   1.050 -12.937  -8.378
  443   2HB   LYS  54          2HB       LYS  54  -0.152 -14.136  -7.926
  444   1HG   LYS  54          1HG       LYS  54   0.074 -14.295 -10.712
  445   2HG   LYS  54          2HG       LYS  54   1.721 -14.166 -10.092
  446   1HD   LYS  54          1HD       LYS  54   1.405 -16.438  -9.985
  447   2HD   LYS  54          2HD       LYS  54   0.872 -15.961  -8.373
  448   1HE   LYS  54          1HE       LYS  54  -1.229 -15.888 -10.413
  449   2HE   LYS  54          2HE       LYS  54  -0.565 -17.494 -10.113
  450   1HZ   LYS  54          1HZ       LYS  54  -0.933 -16.947  -7.670
  451   2HZ   LYS  54          2HZ       LYS  54  -1.918 -15.683  -8.211
  452   3HZ   LYS  54          3HZ       LYS  54  -2.304 -17.283  -8.602
  453    H    GLU  55           H        GLU  55  -1.456 -11.018  -7.242
  454    HA   GLU  55           HA       GLU  55  -3.356 -12.697  -5.919
  455   1HB   GLU  55          1HB       GLU  55  -2.984  -9.758  -5.395
  456   2HB   GLU  55          2HB       GLU  55  -3.489 -11.012  -4.272
  457   1HG   GLU  55          1HG       GLU  55  -1.361 -11.749  -3.912
  458   2HG   GLU  55          2HG       GLU  55  -0.793 -11.227  -5.498
  459    H    GLN  56           H        GLN  56  -5.490 -12.801  -6.183
  460    HA   GLN  56           HA       GLN  56  -6.798 -11.605  -8.339
  461   1HB   GLN  56          1HB       GLN  56  -7.453 -13.691  -7.000
  462   2HB   GLN  56          2HB       GLN  56  -8.217 -12.581  -5.871
  463   1HG   GLN  56          1HG       GLN  56  -8.929 -13.134  -8.727
  464   2HG   GLN  56          2HG       GLN  56  -9.935 -13.281  -7.286
  465   1HE2  GLN  56          2HE2      GLN  56  -8.591 -11.118  -9.640
  466   2HE2  GLN  56          1HE2      GLN  56  -9.553  -9.742  -9.230
  467    H    TRP  57           H        TRP  57  -7.020 -10.801  -4.870
  468    HA   TRP  57           HA       TRP  57  -8.864  -8.789  -4.953
  469   1HB   TRP  57          1HB       TRP  57  -8.158  -8.191  -2.851
  470   2HB   TRP  57          2HB       TRP  57  -7.404  -9.776  -2.980
  471    HD1  TRP  57           HD1      TRP  57  -4.704  -9.718  -3.710
  472    HE1  TRP  57           HE1      TRP  57  -2.893  -8.026  -3.008
  473    HE3  TRP  57           HE3      TRP  57  -7.727  -5.864  -2.231
  474    HZ2  TRP  57           HZ2      TRP  57  -2.766  -5.402  -1.963
  475    HZ3  TRP  57           HZ3      TRP  57  -6.684  -3.795  -1.392
  476    HH2  TRP  57           HH2      TRP  57  -4.252  -3.570  -1.261
  477    H    VAL  58           H        VAL  58  -5.680  -8.741  -6.283
  478    HA   VAL  58           HA       VAL  58  -5.621  -5.843  -6.520
  479    HB   VAL  58           HB       VAL  58  -3.697  -7.972  -7.461
  480   1HG1  VAL  58          1HG1      VAL  58  -3.828  -5.062  -8.022
  481   2HG1  VAL  58          2HG1      VAL  58  -2.244  -5.760  -7.683
  482   3HG1  VAL  58          3HG1      VAL  58  -3.215  -6.382  -9.018
  483   1HG2  VAL  58          1HG2      VAL  58  -3.720  -6.029  -5.171
  484   2HG2  VAL  58          2HG2      VAL  58  -3.515  -7.782  -5.133
  485   3HG2  VAL  58          3HG2      VAL  58  -2.226  -6.755  -5.760
  486    H    LYS  59           H        LYS  59  -5.796  -8.669  -8.674
  487    HA   LYS  59           HA       LYS  59  -5.924  -7.273 -11.096
  488   1HB   LYS  59          1HB       LYS  59  -7.173  -9.927 -10.362
  489   2HB   LYS  59          2HB       LYS  59  -6.972  -9.326 -12.001
  490   1HG   LYS  59          1HG       LYS  59  -4.466  -9.181 -11.382
  491   2HG   LYS  59          2HG       LYS  59  -4.903 -10.283 -10.074
  492   1HD   LYS  59          1HD       LYS  59  -5.884 -11.815 -11.750
  493   2HD   LYS  59          2HD       LYS  59  -5.321 -10.736 -13.025
  494   1HE   LYS  59          1HE       LYS  59  -3.177 -11.366 -11.212
  495   2HE   LYS  59          2HE       LYS  59  -3.918 -12.841 -11.830
  496   1HZ   LYS  59          1HZ       LYS  59  -3.709 -11.364 -14.055
  497   2HZ   LYS  59          2HZ       LYS  59  -2.336 -10.856 -13.211
  498   3HZ   LYS  59          3HZ       LYS  59  -2.555 -12.496 -13.556
  499    H    ASP  60           H        ASP  60  -8.478  -8.305  -8.874
  500    HA   ASP  60           HA       ASP  60 -10.597  -7.257 -10.499
  501   1HB   ASP  60          1HB       ASP  60 -10.365  -8.659  -7.924
  502   2HB   ASP  60          2HB       ASP  60 -11.677  -7.488  -7.988
  503    H    ALA  61           H        ALA  61  -9.014  -6.252  -7.478
  504    HA   ALA  61           HA       ALA  61 -10.473  -3.975  -6.970
  505   1HB   ALA  61          1HB       ALA  61  -7.553  -4.505  -6.461
  506   2HB   ALA  61          2HB       ALA  61  -8.441  -3.137  -5.794
  507   3HB   ALA  61          3HB       ALA  61  -8.900  -4.783  -5.357
  508    H    MET  62           H        MET  62  -7.703  -4.391  -9.122
  509    HA   MET  62           HA       MET  62  -7.477  -1.639  -9.804
  510   1HB   MET  62          1HB       MET  62  -6.458  -4.152 -11.127
  511   2HB   MET  62          2HB       MET  62  -6.113  -2.541 -11.743
  512   1HG   MET  62          1HG       MET  62  -5.147  -2.017  -9.472
  513   2HG   MET  62          2HG       MET  62  -5.265  -3.742  -9.126
  514   1HE   MET  62          1HE       MET  62  -4.466  -5.435 -11.209
  515   2HE   MET  62          2HE       MET  62  -4.654  -4.336 -12.575
  516   3HE   MET  62          3HE       MET  62  -3.082  -5.059 -12.237
  517    H    GLN  63           H        GLN  63  -8.763  -4.432 -11.622
  518    HA   GLN  63           HA       GLN  63  -9.669  -3.180 -13.868
  519   1HB   GLN  63          1HB       GLN  63 -10.488  -5.560 -12.350
  520   2HB   GLN  63          2HB       GLN  63 -11.765  -4.875 -13.347
  521   1HG   GLN  63          1HG       GLN  63  -9.037  -5.463 -14.444
  522   2HG   GLN  63          2HG       GLN  63 -10.306  -6.686 -14.376
  523   1HE2  GLN  63          2HE2      GLN  63 -12.503  -5.690 -15.195
  524   2HE2  GLN  63          1HE2      GLN  63 -12.391  -4.919 -16.737
  525    H    HIS  64           H        HIS  64 -10.902  -2.940 -10.637
  526    HA   HIS  64           HA       HIS  64 -13.389  -1.711 -11.341
  527   1HB   HIS  64          1HB       HIS  64 -13.252  -2.882  -9.243
  528   2HB   HIS  64          2HB       HIS  64 -11.884  -1.900  -8.729
  529    HD1  HIS  64           HD1      HIS  64 -15.460  -2.134  -8.406
  530    HD2  HIS  64           HD2      HIS  64 -12.677   0.950  -8.412
  531    HE1  HIS  64           HE1      HIS  64 -16.627  -0.173  -7.348
  532    HE2  HIS  64           HE2      HIS  64 -14.938   1.695  -7.401
  533    H    LEU  65           H        LEU  65 -10.472  -0.467  -9.721
  534    HA   LEU  65           HA       LEU  65 -11.087   2.206  -9.674
  535   1HB   LEU  65          1HB       LEU  65  -8.415   0.883 -10.124
  536   2HB   LEU  65          2HB       LEU  65  -8.608   2.593  -9.794
  537    HG   LEU  65           HG       LEU  65  -9.660   0.515  -7.899
  538   1HD1  LEU  65          1HD1      LEU  65  -7.168   0.261  -8.430
  539   2HD1  LEU  65          2HD1      LEU  65  -6.971   1.805  -7.599
  540   3HD1  LEU  65          3HD1      LEU  65  -7.641   0.419  -6.739
  541   1HD2  LEU  65          1HD2      LEU  65  -9.018   3.443  -7.761
  542   2HD2  LEU  65          2HD2      LEU  65 -10.534   2.623  -7.389
  543   3HD2  LEU  65          3HD2      LEU  65  -9.153   2.455  -6.306
  544    H    ASP  66           H        ASP  66  -9.761   0.331 -12.354
  545    HA   ASP  66           HA       ASP  66  -9.224   2.483 -14.083
  546   1HB   ASP  66          1HB       ASP  66  -9.643  -0.453 -14.425
  547   2HB   ASP  66          2HB       ASP  66  -9.677   0.566 -15.862
  548    H    ARG  67           H        ARG  67 -12.014   0.256 -14.066
  549    HA   ARG  67           HA       ARG  67 -13.554   1.310 -16.030
  550   1HB   ARG  67          1HB       ARG  67 -14.401   0.285 -13.323
  551   2HB   ARG  67          2HB       ARG  67 -15.552   0.679 -14.592
  552   1HG   ARG  67          1HG       ARG  67 -14.895  -1.086 -15.923
  553   2HG   ARG  67          2HG       ARG  67 -13.310  -1.209 -15.154
  554   1HD   ARG  67          1HD       ARG  67 -15.255  -2.939 -14.653
  555   2HD   ARG  67          2HD       ARG  67 -14.094  -2.453 -13.420
  556    HE   ARG  67           HE       ARG  67 -15.808  -1.489 -12.268
  557   1HH1  ARG  67          1HH1      ARG  67 -16.774  -1.864 -15.592
  558   2HH1  ARG  67          2HH1      ARG  67 -18.398  -1.329 -15.316
  559   1HH2  ARG  67          1HH2      ARG  67 -17.944  -0.779 -11.894
  560   2HH2  ARG  67          2HH2      ARG  67 -19.063  -0.711 -13.214
  561    H    GLN  68           H        GLN  68 -12.984   2.687 -12.860
  562    HA   GLN  68           HA       GLN  68 -14.981   4.723 -13.079
  563   1HB   GLN  68          1HB       GLN  68 -12.878   3.965 -11.161
  564   2HB   GLN  68          2HB       GLN  68 -13.234   5.686 -11.222
  565   1HG   GLN  68          1HG       GLN  68 -14.543   4.572  -9.508
  566   2HG   GLN  68          2HG       GLN  68 -15.579   5.236 -10.772
  567   1HE2  GLN  68          2HE2      GLN  68 -13.806   2.229 -10.116
  568   2HE2  GLN  68          1HE2      GLN  68 -15.094   1.170 -10.565
  569    H    ALA  69           H        ALA  69 -11.420   4.783 -13.248
  570    HA   ALA  69           HA       ALA  69 -11.219   7.485 -14.022
  571   1HB   ALA  69          1HB       ALA  69  -9.447   5.381 -13.450
  572   2HB   ALA  69          2HB       ALA  69  -9.035   5.953 -15.065
  573   3HB   ALA  69          3HB       ALA  69  -9.059   7.081 -13.710
  574    H    ALA  70           H        ALA  70 -11.509   4.501 -15.874
  575    HA   ALA  70           HA       ALA  70 -11.080   5.740 -18.417
  576   1HB   ALA  70          1HB       ALA  70 -11.668   3.056 -17.415
  577   2HB   ALA  70          2HB       ALA  70 -12.401   3.417 -18.979
  578   3HB   ALA  70          3HB       ALA  70 -10.656   3.570 -18.766
  579    H    ALA  71           H        ALA  71 -13.688   5.671 -16.270
  580    HA   ALA  71           HA       ALA  71 -15.915   5.527 -17.912
  581   1HB   ALA  71          1HB       ALA  71 -15.915   5.595 -15.414
  582   2HB   ALA  71          2HB       ALA  71 -15.654   7.336 -15.520
  583   3HB   ALA  71          3HB       ALA  71 -17.129   6.624 -16.174
  584    H    LEU  72           H        LEU  72 -13.491   7.903 -17.796
  585    HA   LEU  72           HA       LEU  72 -15.177   9.934 -19.056
  586   1HB   LEU  72          1HB       LEU  72 -12.397   9.972 -17.911
  587   2HB   LEU  72          2HB       LEU  72 -12.998  11.284 -18.908
  588    HG   LEU  72           HG       LEU  72 -13.327  11.989 -16.687
  589   1HD1  LEU  72          1HD1      LEU  72 -15.346  12.012 -18.332
  590   2HD1  LEU  72          2HD1      LEU  72 -16.030  10.834 -17.213
  591   3HD1  LEU  72          3HD1      LEU  72 -15.586  12.442 -16.639
  592   1HD2  LEU  72          1HD2      LEU  72 -13.452   9.247 -16.121
  593   2HD2  LEU  72          2HD2      LEU  72 -13.483  10.587 -14.975
  594   3HD2  LEU  72          3HD2      LEU  72 -14.994   9.924 -15.598
  595    H    THR  73           H        THR  73 -12.037   8.344 -19.635
  596    HA   THR  73           HA       THR  73 -12.520   8.674 -22.523
  597    HB   THR  73           HB       THR  73 -10.318   9.276 -22.918
  598    HG1  THR  73           HG1      THR  73  -8.675   8.938 -21.282
  599   1HG2  THR  73          1HG2      THR  73 -11.590  10.735 -20.961
  600   2HG2  THR  73          2HG2      THR  73  -9.982  10.451 -20.297
  601   3HG2  THR  73          3HG2      THR  73 -10.160  11.222 -21.872
  602    H    ARG  74           H        ARG  74 -13.334   6.630 -22.859
  603    HA   ARG  74           HA       ARG  74 -12.108   4.275 -21.821
  604   1HB   ARG  74          1HB       ARG  74 -14.454   4.237 -22.362
  605   2HB   ARG  74          2HB       ARG  74 -14.127   4.694 -24.028
  606   1HG   ARG  74          1HG       ARG  74 -14.681   2.301 -23.737
  607   2HG   ARG  74          2HG       ARG  74 -13.102   2.576 -24.473
  608   1HD   ARG  74          1HD       ARG  74 -11.962   2.002 -22.504
  609   2HD   ARG  74          2HD       ARG  74 -13.414   2.159 -21.517
  610    HE   ARG  74           HE       ARG  74 -12.637  -0.117 -23.136
  611   1HH1  ARG  74          1HH1      ARG  74 -15.156   1.477 -21.336
  612   2HH1  ARG  74          2HH1      ARG  74 -16.093   0.037 -21.120
  613   1HH2  ARG  74          1HH2      ARG  74 -13.864  -2.022 -22.857
  614   2HH2  ARG  74          2HH2      ARG  74 -15.358  -1.952 -21.985
  615    H    ASN  75           H        ASN  75 -12.689   4.723 -25.270
  616    HA   ASN  75           HA       ASN  75  -9.889   3.954 -25.766
  617   1HB   ASN  75          1HB       ASN  75 -11.813   2.333 -26.397
  618   2HB   ASN  75          2HB       ASN  75 -12.115   3.454 -27.723
  619   1HD2  ASN  75          2HD2      ASN  75 -11.529   1.000 -28.449
  620   2HD2  ASN  75          1HD2      ASN  75  -9.914   0.870 -29.049
  621    H    GLY  76           H        GLY  76 -12.624   5.865 -26.957
  622   1HA   GLY  76          1HA       GLY  76 -12.496   8.043 -27.812
  623   2HA   GLY  76          2HA       GLY  76 -10.753   7.861 -27.954
  Start of MODEL   18
    1   2H    MET   0          2H        MET   0  21.219   8.399 -13.093
    2   3H    MET   0          3H        MET   0  22.745   8.691 -12.363
    3   1H    MET   0          1H        MET   0  22.659   8.140 -13.985
    4    HA   MET   0           HA       MET   0  21.943   6.680 -11.536
    5   1HB   MET   0          1HB       MET   0  20.919   6.487 -14.221
    6   2HB   MET   0          2HB       MET   0  21.814   5.027 -13.822
    7   1HG   MET   0          1HG       MET   0  20.353   5.321 -11.580
    8   2HG   MET   0          2HG       MET   0  19.263   6.037 -12.766
    9   1HE   MET   0          1HE       MET   0  20.891   3.274 -11.214
   10   2HE   MET   0          2HE       MET   0  19.967   1.857 -11.710
   11   3HE   MET   0          3HE       MET   0  21.421   2.313 -12.594
   12    H    GLN   1           H        GLN   1  24.359   7.522 -11.417
   13    HA   GLN   1           HA       GLN   1  26.001   5.247 -11.711
   14   1HB   GLN   1          1HB       GLN   1  27.502   5.881 -13.428
   15   2HB   GLN   1          2HB       GLN   1  25.893   6.103 -14.099
   16   1HG   GLN   1          1HG       GLN   1  26.554   8.549 -12.927
   17   2HG   GLN   1          2HG       GLN   1  28.014   8.008 -13.755
   18   1HE2  GLN   1          2HE2      GLN   1  26.102  10.195 -14.333
   19   2HE2  GLN   1          1HE2      GLN   1  25.591   9.934 -15.962
   20    H    HIS   2           H        HIS   2  28.416   5.927 -11.328
   21    HA   HIS   2           HA       HIS   2  29.942   6.869  -9.925
   22   1HB   HIS   2          1HB       HIS   2  28.267   9.105 -10.804
   23   2HB   HIS   2          2HB       HIS   2  29.035   9.384  -9.245
   24    HD1  HIS   2           HD1      HIS   2  29.853   8.779 -12.863
   25    HD2  HIS   2           HD2      HIS   2  31.765   9.841  -9.329
   26    HE1  HIS   2           HE1      HIS   2  32.165   9.506 -13.541
   27    HE2  HIS   2           HE2      HIS   2  33.321  10.091 -11.381
   28    H    HIS   3           H        HIS   3  27.324   8.781  -8.579
   29    HA   HIS   3           HA       HIS   3  27.071   6.971  -6.301
   30   1HB   HIS   3          1HB       HIS   3  28.676   9.303  -6.215
   31   2HB   HIS   3          2HB       HIS   3  27.223   9.647  -5.283
   32    HD1  HIS   3           HD1      HIS   3  27.747   9.276  -2.902
   33    HD2  HIS   3           HD2      HIS   3  29.478   6.381  -5.329
   34    HE1  HIS   3           HE1      HIS   3  28.876   7.671  -1.330
   35    HE2  HIS   3           HE2      HIS   3  29.845   5.880  -2.817
   36    H    GLY   4           H        GLY   4  25.017   6.806  -5.657
   37   1HA   GLY   4          1HA       GLY   4  22.904   7.713  -5.032
   38   2HA   GLY   4          2HA       GLY   4  23.186   9.051  -6.135
   39    H    VAL   5           H        VAL   5  22.516   5.578  -6.011
   40    HA   VAL   5           HA       VAL   5  21.140   5.847  -8.604
   41    HB   VAL   5           HB       VAL   5  21.725   3.593  -9.175
   42   1HG1  VAL   5          1HG1      VAL   5  23.859   5.490  -8.420
   43   2HG1  VAL   5          2HG1      VAL   5  24.367   3.840  -8.784
   44   3HG1  VAL   5          3HG1      VAL   5  23.476   4.773  -9.986
   45   1HG2  VAL   5          1HG2      VAL   5  22.469   3.440  -6.326
   46   2HG2  VAL   5          2HG2      VAL   5  21.790   2.209  -7.391
   47   3HG2  VAL   5          3HG2      VAL   5  23.516   2.569  -7.446
   48    H    THR   6           H        THR   6  19.725   6.410  -6.369
   49    HA   THR   6           HA       THR   6  17.971   4.060  -6.125
   50    HB   THR   6           HB       THR   6  17.766   5.676  -3.770
   51    HG1  THR   6           HG1      THR   6  20.333   4.576  -3.944
   52   1HG2  THR   6          1HG2      THR   6  18.325   2.861  -4.436
   53   2HG2  THR   6          2HG2      THR   6  18.883   3.427  -2.862
   54   3HG2  THR   6          3HG2      THR   6  17.179   3.557  -3.292
   55    H    LYS   7           H        LYS   7  16.248   4.635  -7.294
   56    HA   LYS   7           HA       LYS   7  14.949   7.174  -6.646
   57   1HB   LYS   7          1HB       LYS   7  15.684   6.089  -9.321
   58   2HB   LYS   7          2HB       LYS   7  14.174   6.979  -9.175
   59   1HG   LYS   7          1HG       LYS   7  15.683   8.610  -9.797
   60   2HG   LYS   7          2HG       LYS   7  15.611   8.793  -8.043
   61   1HD   LYS   7          1HD       LYS   7  17.616   7.135  -8.059
   62   2HD   LYS   7          2HD       LYS   7  17.784   7.636  -9.742
   63   1HE   LYS   7          1HE       LYS   7  17.571   9.650  -7.531
   64   2HE   LYS   7          2HE       LYS   7  19.118   8.911  -7.948
   65   1HZ   LYS   7          1HZ       LYS   7  18.610   9.664 -10.298
   66   2HZ   LYS   7          2HZ       LYS   7  17.399  10.635  -9.628
   67   3HZ   LYS   7          3HZ       LYS   7  19.014  10.874  -9.186
   68    H    CYS   8           H        CYS   8  14.274   4.876  -5.375
   69    HA   CYS   8           HA       CYS   8  11.721   4.130  -6.643
   70   1HB   CYS   8          1HB       CYS   8  11.944   1.998  -5.251
   71   2HB   CYS   8          2HB       CYS   8  13.020   2.156  -6.636
   72    H    ASN   9           H        ASN   9  11.041   6.143  -5.474
   73    HA   ASN   9           HA       ASN   9  11.006   6.709  -2.858
   74   1HB   ASN   9          1HB       ASN   9   8.458   7.282  -3.248
   75   2HB   ASN   9          2HB       ASN   9   9.721   8.186  -4.078
   76   1HD2  ASN   9          2HD2      ASN   9   7.550   5.425  -4.440
   77   2HD2  ASN   9          1HD2      ASN   9   7.355   5.578  -6.149
   78    H    ILE  10           H        ILE  10   9.310   4.037  -4.359
   79    HA   ILE  10           HA       ILE  10   8.699   2.997  -1.680
   80    HB   ILE  10           HB       ILE  10   6.649   3.989  -2.741
   81   1HG1  ILE  10          1HG1      ILE  10   6.190   1.052  -2.502
   82   2HG1  ILE  10          2HG1      ILE  10   6.886   1.891  -1.119
   83   1HG2  ILE  10          1HG2      ILE  10   7.530   2.777  -5.015
   84   2HG2  ILE  10          2HG2      ILE  10   6.277   1.660  -4.477
   85   3HG2  ILE  10          3HG2      ILE  10   5.885   3.356  -4.752
   86   1HD1  ILE  10          1HD1      ILE  10   4.959   3.481  -1.244
   87   2HD1  ILE  10          2HD1      ILE  10   4.239   2.398  -2.437
   88   3HD1  ILE  10          3HD1      ILE  10   4.551   1.824  -0.797
   89    H    THR  11           H        THR  11   9.671   1.107  -1.427
   90    HA   THR  11           HA       THR  11  10.227  -0.538  -3.800
   91    HB   THR  11           HB       THR  11  12.173   0.173  -2.429
   92    HG1  THR  11           HG1      THR  11  11.836  -2.606  -2.131
   93   1HG2  THR  11          1HG2      THR  11  10.751  -0.153  -0.229
   94   2HG2  THR  11          2HG2      THR  11  11.461  -1.766  -0.307
   95   3HG2  THR  11          3HG2      THR  11  12.503  -0.344  -0.248
   96    H    CYS  12           H        CYS  12   9.463  -2.579  -3.981
   97    HA   CYS  12           HA       CYS  12   7.448  -3.404  -2.049
   98   1HB   CYS  12          1HB       CYS  12   8.205  -4.527  -4.752
   99   2HB   CYS  12          2HB       CYS  12   6.897  -5.140  -3.747
  100    H    SER  13           H        SER  13   9.253  -3.781  -0.462
  101    HA   SER  13           HA       SER  13  11.033  -5.965  -0.829
  102   1HB   SER  13          1HB       SER  13  10.124  -4.410   1.587
  103   2HB   SER  13          2HB       SER  13  11.209  -5.791   1.735
  104    HG   SER  13           HG       SER  13  12.381  -4.505  -0.058
  105    H    LYS  14           H        LYS  14   7.849  -5.620   0.645
  106    HA   LYS  14           HA       LYS  14   7.610  -8.546   0.656
  107   1HB   LYS  14          1HB       LYS  14   7.983  -7.210   2.973
  108   2HB   LYS  14          2HB       LYS  14   6.234  -7.105   2.846
  109   1HG   LYS  14          1HG       LYS  14   7.151  -9.056   4.155
  110   2HG   LYS  14          2HG       LYS  14   5.982  -9.441   2.890
  111   1HD   LYS  14          1HD       LYS  14   7.507 -10.538   1.630
  112   2HD   LYS  14          2HD       LYS  14   8.814  -9.435   2.066
  113   1HE   LYS  14          1HE       LYS  14   9.557 -11.220   3.231
  114   2HE   LYS  14          2HE       LYS  14   8.412 -10.631   4.438
  115   1HZ   LYS  14          1HZ       LYS  14   7.204 -12.359   2.491
  116   2HZ   LYS  14          2HZ       LYS  14   8.437 -13.123   3.361
  117   3HZ   LYS  14          3HZ       LYS  14   7.133 -12.419   4.181
  118    H    MET  15           H        MET  15   5.144  -9.039   1.262
  119    HA   MET  15           HA       MET  15   3.503  -7.282  -0.443
  120   1HB   MET  15          1HB       MET  15   3.360 -10.286  -0.147
  121   2HB   MET  15          2HB       MET  15   2.208  -9.315  -1.054
  122   1HG   MET  15          1HG       MET  15   5.102  -9.817  -1.657
  123   2HG   MET  15          2HG       MET  15   3.691 -10.214  -2.635
  124   1HE   MET  15          1HE       MET  15   6.317  -8.966  -3.484
  125   2HE   MET  15          2HE       MET  15   5.217  -8.768  -4.850
  126   3HE   MET  15          3HE       MET  15   6.126  -7.384  -4.239
  127    H    THR  16           H        THR  16   1.482  -6.729   0.252
  128    HA   THR  16           HA       THR  16   0.935  -7.178   3.067
  129    HB   THR  16           HB       THR  16   0.727  -4.933   1.845
  130    HG1  THR  16           HG1      THR  16  -1.128  -4.401   3.115
  131   1HG2  THR  16          1HG2      THR  16  -1.137  -6.374   0.303
  132   2HG2  THR  16          2HG2      THR  16  -2.043  -5.208   1.270
  133   3HG2  THR  16          3HG2      THR  16  -0.736  -4.658   0.220
  134    H    SER  17           H        SER  17  -1.778  -7.072   3.218
  135    HA   SER  17           HA       SER  17  -2.550  -9.666   2.073
  136   1HB   SER  17          1HB       SER  17  -4.358  -8.670   4.105
  137   2HB   SER  17          2HB       SER  17  -3.427 -10.167   4.076
  138    HG   SER  17           HG       SER  17  -1.748  -9.149   5.052
  139    H    LYS  18           H        LYS  18  -5.226  -9.641   2.226
  140    HA   LYS  18           HA       LYS  18  -5.960  -7.991   0.005
  141   1HB   LYS  18          1HB       LYS  18  -6.806 -10.383   0.744
  142   2HB   LYS  18          2HB       LYS  18  -7.995  -9.448   1.640
  143   1HG   LYS  18          1HG       LYS  18  -7.954  -8.342  -0.928
  144   2HG   LYS  18          2HG       LYS  18  -7.911 -10.092  -1.154
  145   1HD   LYS  18          1HD       LYS  18  -9.817  -9.074   0.861
  146   2HD   LYS  18          2HD       LYS  18 -10.185  -8.706  -0.825
  147   1HE   LYS  18          1HE       LYS  18 -11.257 -10.777  -0.178
  148   2HE   LYS  18          2HE       LYS  18  -9.997 -11.096  -1.370
  149   1HZ   LYS  18          1HZ       LYS  18  -8.843 -11.269   1.165
  150   2HZ   LYS  18          2HZ       LYS  18 -10.271 -12.172   1.205
  151   3HZ   LYS  18          3HZ       LYS  18  -9.088 -12.513   0.045
  152    H    ILE  19           H        ILE  19  -7.284  -6.218  -0.059
  153    HA   ILE  19           HA       ILE  19  -8.367  -5.203   2.470
  154    HB   ILE  19           HB       ILE  19  -6.945  -3.344   0.586
  155   1HG1  ILE  19          1HG1      ILE  19  -5.683  -4.350   3.120
  156   2HG1  ILE  19          2HG1      ILE  19  -5.475  -5.236   1.611
  157   1HG2  ILE  19          1HG2      ILE  19  -7.816  -3.155   3.464
  158   2HG2  ILE  19          2HG2      ILE  19  -6.855  -1.934   2.631
  159   3HG2  ILE  19          3HG2      ILE  19  -8.495  -2.291   2.085
  160   1HD1  ILE  19          1HD1      ILE  19  -4.942  -2.408   1.297
  161   2HD1  ILE  19          2HD1      ILE  19  -3.917  -3.157   2.519
  162   3HD1  ILE  19          3HD1      ILE  19  -3.950  -3.804   0.879
  163    HA   PRO  20           HA       PRO  20 -12.057  -4.452   0.185
  164   1HB   PRO  20          1HB       PRO  20 -12.207  -1.945   1.781
  165   2HB   PRO  20          2HB       PRO  20 -13.400  -3.233   1.595
  166   1HG   PRO  20          1HG       PRO  20 -11.965  -2.988   3.836
  167   2HG   PRO  20          2HG       PRO  20 -12.390  -4.580   3.181
  168   1HD   PRO  20          1HD       PRO  20  -9.791  -3.129   3.125
  169   2HD   PRO  20          2HD       PRO  20 -10.110  -4.870   3.250
  170    H    VAL  21           H        VAL  21 -11.890  -3.807  -1.877
  171    HA   VAL  21           HA       VAL  21 -10.234  -1.821  -2.879
  172    HB   VAL  21           HB       VAL  21 -11.508  -3.642  -4.164
  173   1HG1  VAL  21          1HG1      VAL  21 -13.606  -1.480  -4.086
  174   2HG1  VAL  21          2HG1      VAL  21 -13.604  -2.811  -5.242
  175   3HG1  VAL  21          3HG1      VAL  21 -13.755  -3.143  -3.517
  176   1HG2  VAL  21          1HG2      VAL  21 -10.701  -0.957  -4.985
  177   2HG2  VAL  21          2HG2      VAL  21 -10.310  -2.526  -5.691
  178   3HG2  VAL  21          3HG2      VAL  21 -11.832  -1.731  -6.096
  179    H    ALA  22           H        ALA  22 -13.251  -1.541  -1.262
  180    HA   ALA  22           HA       ALA  22 -14.080   0.966  -2.305
  181   1HB   ALA  22          1HB       ALA  22 -15.093  -0.930  -0.497
  182   2HB   ALA  22          2HB       ALA  22 -14.977   0.590   0.391
  183   3HB   ALA  22          3HB       ALA  22 -15.896   0.515  -1.112
  184    H    LEU  23           H        LEU  23 -11.461   0.152  -0.402
  185    HA   LEU  23           HA       LEU  23 -11.393   2.770   0.927
  186   1HB   LEU  23          1HB       LEU  23  -9.780   0.267   1.418
  187   2HB   LEU  23          2HB       LEU  23  -9.534   1.784   2.262
  188    HG   LEU  23           HG       LEU  23 -12.244   0.533   2.330
  189   1HD1  LEU  23          1HD1      LEU  23 -10.540  -1.247   2.836
  190   2HD1  LEU  23          2HD1      LEU  23 -10.039  -0.267   4.214
  191   3HD1  LEU  23          3HD1      LEU  23 -11.683  -0.899   4.135
  192   1HD2  LEU  23          1HD2      LEU  23 -11.544   2.826   3.281
  193   2HD2  LEU  23          2HD2      LEU  23 -12.506   1.745   4.292
  194   3HD2  LEU  23          3HD2      LEU  23 -10.767   1.886   4.555
  195    H    LEU  24           H        LEU  24 -10.312   1.288  -1.829
  196    HA   LEU  24           HA       LEU  24  -7.683   2.500  -1.905
  197   1HB   LEU  24          1HB       LEU  24  -9.283   0.835  -3.826
  198   2HB   LEU  24          2HB       LEU  24  -7.812   1.640  -4.335
  199    HG   LEU  24           HG       LEU  24  -7.952  -0.329  -2.051
  200   1HD1  LEU  24          1HD1      LEU  24  -8.351  -1.012  -4.623
  201   2HD1  LEU  24          2HD1      LEU  24  -6.590  -1.054  -4.560
  202   3HD1  LEU  24          3HD1      LEU  24  -7.536  -2.045  -3.449
  203   1HD2  LEU  24          1HD2      LEU  24  -6.110   1.450  -2.163
  204   2HD2  LEU  24          2HD2      LEU  24  -5.619  -0.235  -1.991
  205   3HD2  LEU  24          3HD2      LEU  24  -5.517   0.556  -3.564
  206    H    ILE  25           H        ILE  25  -7.069   4.253  -3.110
  207    HA   ILE  25           HA       ILE  25  -9.256   5.829  -4.305
  208    HB   ILE  25           HB       ILE  25  -7.979   7.850  -3.755
  209   1HG1  ILE  25          1HG1      ILE  25  -6.164   6.168  -2.043
  210   2HG1  ILE  25          2HG1      ILE  25  -5.756   6.510  -3.722
  211   1HG2  ILE  25          1HG2      ILE  25  -9.457   6.278  -2.039
  212   2HG2  ILE  25          2HG2      ILE  25  -8.024   6.682  -1.094
  213   3HG2  ILE  25          3HG2      ILE  25  -9.016   7.967  -1.784
  214   1HD1  ILE  25          1HD1      ILE  25  -6.255   8.993  -2.916
  215   2HD1  ILE  25          2HD1      ILE  25  -5.769   8.293  -1.371
  216   3HD1  ILE  25          3HD1      ILE  25  -4.673   8.232  -2.750
  217    H    HIS  26           H        HIS  26  -6.005   4.612  -4.670
  218    HA   HIS  26           HA       HIS  26  -6.113   5.053  -7.511
  219   1HB   HIS  26          1HB       HIS  26  -4.375   6.722  -5.749
  220   2HB   HIS  26          2HB       HIS  26  -3.731   6.200  -7.304
  221    HD1  HIS  26           HD1      HIS  26  -4.794   7.208  -9.429
  222    HD2  HIS  26           HD2      HIS  26  -6.424   8.628  -5.880
  223    HE1  HIS  26           HE1      HIS  26  -6.165   9.215 -10.075
  224    HE2  HIS  26           HE2      HIS  26  -7.081  10.101  -7.901
  225    H    TYR  27           H        TYR  27  -4.335   4.031  -8.648
  226    HA   TYR  27           HA       TYR  27  -2.803   2.121  -7.021
  227   1HB   TYR  27          1HB       TYR  27  -3.365   0.291  -8.386
  228   2HB   TYR  27          2HB       TYR  27  -4.894   1.126  -8.137
  229    HD1  TYR  27           HD1      TYR  27  -2.268   0.309 -10.566
  230    HD2  TYR  27           HD2      TYR  27  -6.000   2.280  -9.964
  231    HE1  TYR  27           HE1      TYR  27  -2.579   0.453 -13.006
  232    HE2  TYR  27           HE2      TYR  27  -6.322   2.430 -12.401
  233    HH   TYR  27           HH       TYR  27  -5.287   2.219 -14.415
  234    H    GLN  28           H        GLN  28  -0.717   1.878  -7.608
  235    HA   GLN  28           HA       GLN  28   0.134   3.128 -10.132
  236   1HB   GLN  28          1HB       GLN  28   2.265   3.107  -8.213
  237   2HB   GLN  28          2HB       GLN  28   1.541   4.474  -9.046
  238   1HG   GLN  28          1HG       GLN  28   0.112   3.312  -6.717
  239   2HG   GLN  28          2HG       GLN  28   1.542   4.299  -6.427
  240   1HE2  GLN  28          2HE2      GLN  28  -0.492   5.364  -5.333
  241   2HE2  GLN  28          1HE2      GLN  28  -1.194   6.647  -6.252
  242    H    GLN  29           H        GLN  29   2.410   2.376 -10.759
  243    HA   GLN  29           HA       GLN  29   2.554  -0.539 -10.364
  244   1HB   GLN  29          1HB       GLN  29   2.185   0.746 -12.717
  245   2HB   GLN  29          2HB       GLN  29   3.940   0.660 -12.682
  246   1HG   GLN  29          1HG       GLN  29   3.975  -1.596 -12.910
  247   2HG   GLN  29          2HG       GLN  29   2.446  -1.817 -12.061
  248   1HE2  GLN  29          2HE2      GLN  29   2.772  -3.272 -14.244
  249   2HE2  GLN  29          1HE2      GLN  29   1.835  -2.667 -15.562
  250    H    ASN  30           H        ASN  30   4.546  -1.511 -10.005
  251    HA   ASN  30           HA       ASN  30   6.503   0.169  -8.725
  252   1HB   ASN  30          1HB       ASN  30   5.989  -1.967  -7.715
  253   2HB   ASN  30          2HB       ASN  30   6.406  -2.815  -9.202
  254   1HD2  ASN  30          2HD2      ASN  30   7.561  -1.403  -6.310
  255   2HD2  ASN  30          1HD2      ASN  30   9.232  -1.790  -6.522
  256    H    GLN  31           H        GLN  31   8.830  -0.019  -9.211
  257    HA   GLN  31           HA       GLN  31   9.253  -0.004 -12.114
  258   1HB   GLN  31          1HB       GLN  31  10.702   1.307  -9.826
  259   2HB   GLN  31          2HB       GLN  31  11.428   1.178 -11.422
  260   1HG   GLN  31          1HG       GLN  31   9.821   2.568 -12.394
  261   2HG   GLN  31          2HG       GLN  31   8.727   2.408 -11.022
  262   1HE2  GLN  31          2HE2      GLN  31   9.158   3.560  -9.126
  263   2HE2  GLN  31          1HE2      GLN  31  10.222   4.922  -9.111
  264    H    ALA  32           H        ALA  32  10.615  -1.392 -13.091
  265    HA   ALA  32           HA       ALA  32  11.507  -3.699 -11.700
  266   1HB   ALA  32          1HB       ALA  32  10.994  -3.120 -14.309
  267   2HB   ALA  32          2HB       ALA  32  12.756  -3.183 -14.300
  268   3HB   ALA  32          3HB       ALA  32  11.821  -4.571 -13.744
  269    H    SER  33           H        SER  33  12.828  -2.791 -10.028
  270    HA   SER  33           HA       SER  33  15.573  -2.916 -10.533
  271   1HB   SER  33          1HB       SER  33  15.957  -0.391  -9.849
  272   2HB   SER  33          2HB       SER  33  15.710  -0.838 -11.537
  273    HG   SER  33           HG       SER  33  13.595  -0.170 -11.392
  274    H    CYS  34           H        CYS  34  13.200  -1.239  -8.485
  275    HA   CYS  34           HA       CYS  34  14.731  -2.076  -6.121
  276   1HB   CYS  34          1HB       CYS  34  13.172   0.297  -6.790
  277   2HB   CYS  34          2HB       CYS  34  12.718  -0.390  -5.234
  278    H    GLY  35           H        GLY  35  13.927  -3.536  -4.732
  279   1HA   GLY  35          1HA       GLY  35  12.473  -5.018  -3.745
  280   2HA   GLY  35          2HA       GLY  35  11.164  -3.981  -4.291
  281    H    LYS  36           H        LYS  36   9.985  -5.973  -4.660
  282    HA   LYS  36           HA       LYS  36  10.893  -7.517  -6.983
  283   1HB   LYS  36          1HB       LYS  36   8.696  -8.073  -4.984
  284   2HB   LYS  36          2HB       LYS  36   9.097  -9.111  -6.342
  285   1HG   LYS  36          1HG       LYS  36  10.624 -10.131  -5.127
  286   2HG   LYS  36          2HG       LYS  36  11.472  -8.607  -4.867
  287   1HD   LYS  36          1HD       LYS  36  10.943  -8.793  -2.711
  288   2HD   LYS  36          2HD       LYS  36   9.266  -8.491  -3.174
  289   1HE   LYS  36          1HE       LYS  36   9.537 -10.529  -1.803
  290   2HE   LYS  36          2HE       LYS  36   8.851 -10.853  -3.395
  291   1HZ   LYS  36          1HZ       LYS  36  11.682 -11.033  -3.462
  292   2HZ   LYS  36          2HZ       LYS  36  11.060 -12.049  -2.263
  293   3HZ   LYS  36          3HZ       LYS  36  10.530 -12.203  -3.862
  294    H    ARG  37           H        ARG  37   9.349  -8.056  -8.662
  295    HA   ARG  37           HA       ARG  37   7.999  -5.782  -9.651
  296   1HB   ARG  37          1HB       ARG  37   8.566  -8.490 -10.545
  297   2HB   ARG  37          2HB       ARG  37   6.966  -7.958 -11.041
  298   1HG   ARG  37          1HG       ARG  37   8.042  -5.897 -11.973
  299   2HG   ARG  37          2HG       ARG  37   9.604  -6.656 -11.656
  300   1HD   ARG  37          1HD       ARG  37   8.730  -6.929 -13.998
  301   2HD   ARG  37          2HD       ARG  37   9.148  -8.426 -13.167
  302    HE   ARG  37           HE       ARG  37   6.392  -7.763 -12.853
  303   1HH1  ARG  37          1HH1      ARG  37   8.710  -9.152 -15.049
  304   2HH1  ARG  37          2HH1      ARG  37   7.541 -10.131 -15.870
  305   1HH2  ARG  37          1HH2      ARG  37   4.842  -9.046 -13.925
  306   2HH2  ARG  37          2HH2      ARG  37   5.340 -10.070 -15.231
  307    H    ALA  38           H        ALA  38   6.493  -5.133  -8.091
  308    HA   ALA  38           HA       ALA  38   4.080  -6.817  -7.982
  309   1HB   ALA  38          1HB       ALA  38   5.256  -5.199  -5.725
  310   2HB   ALA  38          2HB       ALA  38   3.687  -6.004  -5.683
  311   3HB   ALA  38          3HB       ALA  38   5.164  -6.957  -5.828
  312    H    ILE  39           H        ILE  39   2.389  -5.115  -6.683
  313    HA   ILE  39           HA       ILE  39   2.286  -2.773  -8.471
  314    HB   ILE  39           HB       ILE  39   0.031  -4.496  -7.450
  315   1HG1  ILE  39          1HG1      ILE  39   1.461  -4.990  -9.598
  316   2HG1  ILE  39          2HG1      ILE  39  -0.291  -5.157  -9.645
  317   1HG2  ILE  39          1HG2      ILE  39  -0.051  -1.778  -8.734
  318   2HG2  ILE  39          2HG2      ILE  39  -1.428  -2.880  -8.741
  319   3HG2  ILE  39          3HG2      ILE  39  -0.777  -2.292  -7.211
  320   1HD1  ILE  39          1HD1      ILE  39  -0.444  -2.902 -10.626
  321   2HD1  ILE  39          2HD1      ILE  39   1.318  -2.825 -10.653
  322   3HD1  ILE  39          3HD1      ILE  39   0.474  -4.032 -11.622
  323    H    ILE  40           H        ILE  40   1.399  -0.839  -7.623
  324    HA   ILE  40           HA       ILE  40   1.598  -0.661  -4.696
  325    HB   ILE  40           HB       ILE  40   1.766   1.560  -6.738
  326   1HG1  ILE  40          1HG1      ILE  40   3.668  -0.111  -6.725
  327   2HG1  ILE  40          2HG1      ILE  40   4.128   1.557  -6.402
  328   1HG2  ILE  40          1HG2      ILE  40   2.158   1.535  -3.752
  329   2HG2  ILE  40          2HG2      ILE  40   2.630   2.873  -4.801
  330   3HG2  ILE  40          3HG2      ILE  40   0.933   2.414  -4.667
  331   1HD1  ILE  40          1HD1      ILE  40   3.669  -0.496  -4.256
  332   2HD1  ILE  40          2HD1      ILE  40   5.244  -0.131  -4.960
  333   3HD1  ILE  40          3HD1      ILE  40   4.363   1.115  -4.075
  334    H    LEU  41           H        LEU  41  -0.105  -0.054  -3.488
  335    HA   LEU  41           HA       LEU  41  -2.517   0.885  -4.895
  336   1HB   LEU  41          1HB       LEU  41  -2.398  -0.978  -2.523
  337   2HB   LEU  41          2HB       LEU  41  -3.863  -0.364  -3.262
  338    HG   LEU  41           HG       LEU  41  -1.855  -2.155  -4.628
  339   1HD1  LEU  41          1HD1      LEU  41  -4.208  -2.683  -2.958
  340   2HD1  LEU  41          2HD1      LEU  41  -4.172  -3.552  -4.492
  341   3HD1  LEU  41          3HD1      LEU  41  -2.837  -3.719  -3.353
  342   1HD2  LEU  41          1HD2      LEU  41  -3.417  -0.427  -5.898
  343   2HD2  LEU  41          2HD2      LEU  41  -3.110  -2.047  -6.524
  344   3HD2  LEU  41          3HD2      LEU  41  -4.604  -1.707  -5.649
  345    H    GLU  42           H        GLU  42  -3.371   2.717  -4.172
  346    HA   GLU  42           HA       GLU  42  -2.431   3.763  -1.585
  347   1HB   GLU  42          1HB       GLU  42  -1.847   5.038  -3.701
  348   2HB   GLU  42          2HB       GLU  42  -3.563   5.382  -3.866
  349   1HG   GLU  42          1HG       GLU  42  -3.603   6.723  -1.965
  350   2HG   GLU  42          2HG       GLU  42  -2.083   6.068  -1.358
  351    H    THR  43           H        THR  43  -3.886   4.149  -0.019
  352    HA   THR  43           HA       THR  43  -6.724   3.771  -0.691
  353    HB   THR  43           HB       THR  43  -7.023   3.296   1.714
  354    HG1  THR  43           HG1      THR  43  -4.220   3.698   1.793
  355   1HG2  THR  43          1HG2      THR  43  -5.859   1.613  -0.119
  356   2HG2  THR  43          2HG2      THR  43  -4.779   1.513   1.271
  357   3HG2  THR  43          3HG2      THR  43  -6.495   1.154   1.460
  358    H    ARG  44           H        ARG  44  -8.214   4.963   0.942
  359    HA   ARG  44           HA       ARG  44  -7.891   7.744   0.508
  360   1HB   ARG  44          1HB       ARG  44  -9.825   6.149   2.182
  361   2HB   ARG  44          2HB       ARG  44  -9.889   7.903   2.083
  362   1HG   ARG  44          1HG       ARG  44 -10.316   7.813  -0.274
  363   2HG   ARG  44          2HG       ARG  44 -10.072   6.065  -0.293
  364   1HD   ARG  44          1HD       ARG  44 -12.350   7.652   0.815
  365   2HD   ARG  44          2HD       ARG  44 -12.381   6.255  -0.258
  366    HE   ARG  44           HE       ARG  44 -11.396   5.157   1.946
  367   1HH1  ARG  44          1HH1      ARG  44 -14.053   7.369   1.532
  368   2HH1  ARG  44          2HH1      ARG  44 -14.933   6.774   2.899
  369   1HH2  ARG  44          1HH2      ARG  44 -12.547   4.363   3.750
  370   2HH2  ARG  44          2HH2      ARG  44 -14.075   5.064   4.161
  371    H    GLN  45           H        GLN  45  -6.485   5.724   2.753
  372    HA   GLN  45           HA       GLN  45  -6.223   7.842   4.769
  373   1HB   GLN  45          1HB       GLN  45  -5.291   4.992   5.075
  374   2HB   GLN  45          2HB       GLN  45  -5.626   6.172   6.336
  375   1HG   GLN  45          1HG       GLN  45  -8.008   6.066   5.811
  376   2HG   GLN  45          2HG       GLN  45  -7.672   4.882   4.548
  377   1HE2  GLN  45          2HE2      GLN  45  -6.337   5.179   7.806
  378   2HE2  GLN  45          1HE2      GLN  45  -6.870   3.632   8.357
  379    H    HIS  46           H        HIS  46  -4.830   7.528   2.101
  380    HA   HIS  46           HA       HIS  46  -2.762   7.806   1.200
  381   1HB   HIS  46          1HB       HIS  46  -2.143   8.908   3.949
  382   2HB   HIS  46          2HB       HIS  46  -1.197   9.187   2.490
  383    HD1  HIS  46           HD1      HIS  46  -1.767  11.246   1.234
  384    HD2  HIS  46           HD2      HIS  46  -4.899   9.981   3.653
  385    HE1  HIS  46           HE1      HIS  46  -3.542  13.013   1.012
  386    HE2  HIS  46           HE2      HIS  46  -5.448  12.203   2.446
  387    H    ARG  47           H        ARG  47  -3.311   5.251   2.267
  388    HA   ARG  47           HA       ARG  47  -0.721   4.422   3.381
  389   1HB   ARG  47          1HB       ARG  47  -2.392   3.592   4.784
  390   2HB   ARG  47          2HB       ARG  47  -3.472   3.229   3.448
  391   1HG   ARG  47          1HG       ARG  47  -1.179   1.639   3.079
  392   2HG   ARG  47          2HG       ARG  47  -1.626   1.526   4.781
  393   1HD   ARG  47          1HD       ARG  47  -3.874   1.369   2.901
  394   2HD   ARG  47          2HD       ARG  47  -2.727   0.036   2.790
  395    HE   ARG  47           HE       ARG  47  -3.142   0.094   5.405
  396   1HH1  ARG  47          1HH1      ARG  47  -5.416   0.324   2.777
  397   2HH1  ARG  47          2HH1      ARG  47  -6.719  -0.386   3.671
  398   1HH2  ARG  47          1HH2      ARG  47  -4.851  -0.843   6.590
  399   2HH2  ARG  47          2HH2      ARG  47  -6.396  -1.051   5.836
  400    H    LEU  48           H        LEU  48   0.705   3.637   2.007
  401    HA   LEU  48           HA       LEU  48  -0.231   2.509  -0.538
  402   1HB   LEU  48          1HB       LEU  48   2.550   3.425   0.184
  403   2HB   LEU  48          2HB       LEU  48   1.972   2.980  -1.409
  404    HG   LEU  48           HG       LEU  48   0.701   5.266   0.051
  405   1HD1  LEU  48          1HD1      LEU  48   3.452   5.142  -0.677
  406   2HD1  LEU  48          2HD1      LEU  48   2.628   6.272  -1.751
  407   3HD1  LEU  48          3HD1      LEU  48   2.542   6.495  -0.004
  408   1HD2  LEU  48          1HD2      LEU  48   0.295   4.028  -2.409
  409   2HD2  LEU  48          2HD2      LEU  48  -0.358   5.578  -1.878
  410   3HD2  LEU  48          3HD2      LEU  48   1.151   5.522  -2.789
  411    H    PHE  49           H        PHE  49   0.077   0.427  -1.021
  412    HA   PHE  49           HA       PHE  49   1.986  -1.133   0.575
  413   1HB   PHE  49          1HB       PHE  49  -0.946  -1.618   0.230
  414   2HB   PHE  49          2HB       PHE  49   0.135  -3.003   0.352
  415    HD1  PHE  49           HD1      PHE  49   2.126  -1.904   2.288
  416    HD2  PHE  49           HD2      PHE  49  -2.133  -1.737   2.237
  417    HE1  PHE  49           HE1      PHE  49   2.110  -1.699   4.744
  418    HE2  PHE  49           HE2      PHE  49  -2.159  -1.529   4.693
  419    HZ   PHE  49           HZ       PHE  49  -0.035  -1.511   5.949
  420    H    CYS  50           H        CYS  50   2.818  -2.995  -0.459
  421    HA   CYS  50           HA       CYS  50   2.645  -2.852  -3.381
  422   1HB   CYS  50          1HB       CYS  50   4.725  -3.767  -1.451
  423   2HB   CYS  50          2HB       CYS  50   4.680  -4.530  -3.037
  424    H    ALA  51           H        ALA  51   0.933  -4.063  -3.999
  425    HA   ALA  51           HA       ALA  51   0.713  -6.798  -2.944
  426   1HB   ALA  51          1HB       ALA  51  -1.280  -5.399  -2.689
  427   2HB   ALA  51          2HB       ALA  51  -1.337  -5.165  -4.436
  428   3HB   ALA  51          3HB       ALA  51  -1.583  -6.771  -3.753
  429    H    ASP  52           H        ASP  52   1.339  -8.436  -4.181
  430    HA   ASP  52           HA       ASP  52   2.394  -8.114  -6.763
  431   1HB   ASP  52          1HB       ASP  52   2.668 -10.030  -4.956
  432   2HB   ASP  52          2HB       ASP  52   1.379 -10.783  -5.889
  433    HA   PRO  53           HA       PRO  53  -1.166  -7.925  -9.372
  434   1HB   PRO  53          1HB       PRO  53   0.552  -9.424 -11.279
  435   2HB   PRO  53          2HB       PRO  53  -0.309  -7.897 -11.501
  436   1HG   PRO  53          1HG       PRO  53   2.335  -7.936 -11.171
  437   2HG   PRO  53          2HG       PRO  53   1.342  -6.662 -10.440
  438   1HD   PRO  53          1HD       PRO  53   2.594  -9.058  -9.166
  439   2HD   PRO  53          2HD       PRO  53   2.395  -7.414  -8.527
  440    H    LYS  54           H        LYS  54   0.446 -10.842  -8.489
  441    HA   LYS  54           HA       LYS  54  -1.281 -12.683  -9.796
  442   1HB   LYS  54          1HB       LYS  54   0.544 -12.989  -7.408
  443   2HB   LYS  54          2HB       LYS  54  -0.325 -14.326  -8.148
  444   1HG   LYS  54          1HG       LYS  54   0.868 -13.431 -10.328
  445   2HG   LYS  54          2HG       LYS  54   2.012 -12.795  -9.145
  446   1HD   LYS  54          1HD       LYS  54   2.004 -15.161  -8.155
  447   2HD   LYS  54          2HD       LYS  54   1.244 -15.650  -9.670
  448   1HE   LYS  54          1HE       LYS  54   3.141 -14.731 -10.914
  449   2HE   LYS  54          2HE       LYS  54   3.898 -14.242  -9.398
  450   1HZ   LYS  54          1HZ       LYS  54   3.182 -17.059  -9.954
  451   2HZ   LYS  54          2HZ       LYS  54   4.671 -16.406 -10.422
  452   3HZ   LYS  54          3HZ       LYS  54   4.245 -16.460  -8.785
  453    H    GLU  55           H        GLU  55  -1.474 -10.862  -6.856
  454    HA   GLU  55           HA       GLU  55  -3.412 -12.459  -5.535
  455   1HB   GLU  55          1HB       GLU  55  -2.784  -9.518  -5.217
  456   2HB   GLU  55          2HB       GLU  55  -3.751 -10.479  -4.108
  457   1HG   GLU  55          1HG       GLU  55  -1.943 -11.606  -3.274
  458   2HG   GLU  55          2HG       GLU  55  -0.990 -11.379  -4.740
  459    H    GLN  56           H        GLN  56  -5.567 -12.532  -5.708
  460    HA   GLN  56           HA       GLN  56  -6.875 -11.598  -7.982
  461   1HB   GLN  56          1HB       GLN  56  -7.523 -13.478  -6.330
  462   2HB   GLN  56          2HB       GLN  56  -8.347 -12.207  -5.439
  463   1HG   GLN  56          1HG       GLN  56  -9.012 -13.443  -8.040
  464   2HG   GLN  56          2HG       GLN  56 -10.067 -12.912  -6.730
  465   1HE2  GLN  56          2HE2      GLN  56 -10.125 -10.497  -6.423
  466   2HE2  GLN  56          1HE2      GLN  56 -10.200  -9.528  -7.851
  467    H    TRP  57           H        TRP  57  -7.179 -10.356  -4.635
  468    HA   TRP  57           HA       TRP  57  -8.980  -8.330  -5.146
  469   1HB   TRP  57          1HB       TRP  57  -8.415  -7.413  -3.076
  470   2HB   TRP  57          2HB       TRP  57  -7.975  -9.108  -2.900
  471    HD1  TRP  57           HD1      TRP  57  -5.206  -9.551  -3.506
  472    HE1  TRP  57           HE1      TRP  57  -3.214  -8.172  -2.634
  473    HE3  TRP  57           HE3      TRP  57  -7.681  -5.251  -2.271
  474    HZ2  TRP  57           HZ2      TRP  57  -2.755  -5.598  -1.558
  475    HZ3  TRP  57           HZ3      TRP  57  -6.396  -3.375  -1.322
  476    HH2  TRP  57           HH2      TRP  57  -3.981  -3.546  -0.973
  477    H    VAL  58           H        VAL  58  -5.733  -8.557  -6.202
  478    HA   VAL  58           HA       VAL  58  -5.443  -5.695  -6.633
  479    HB   VAL  58           HB       VAL  58  -3.639  -8.006  -7.372
  480   1HG1  VAL  58          1HG1      VAL  58  -3.704  -5.407  -8.454
  481   2HG1  VAL  58          2HG1      VAL  58  -2.322  -5.467  -7.360
  482   3HG1  VAL  58          3HG1      VAL  58  -2.464  -6.641  -8.667
  483   1HG2  VAL  58          1HG2      VAL  58  -3.905  -7.459  -4.936
  484   2HG2  VAL  58          2HG2      VAL  58  -2.259  -7.317  -5.554
  485   3HG2  VAL  58          3HG2      VAL  58  -3.229  -5.868  -5.287
  486    H    LYS  59           H        LYS  59  -6.199  -8.605  -8.403
  487    HA   LYS  59           HA       LYS  59  -5.966  -7.520 -11.021
  488   1HB   LYS  59          1HB       LYS  59  -7.522  -9.879  -9.947
  489   2HB   LYS  59          2HB       LYS  59  -7.385  -9.499 -11.655
  490   1HG   LYS  59          1HG       LYS  59  -5.095  -9.984 -11.697
  491   2HG   LYS  59          2HG       LYS  59  -4.977  -9.957  -9.935
  492   1HD   LYS  59          1HD       LYS  59  -6.021 -12.011  -9.708
  493   2HD   LYS  59          2HD       LYS  59  -6.784 -11.915 -11.291
  494   1HE   LYS  59          1HE       LYS  59  -5.151 -13.276 -11.979
  495   2HE   LYS  59          2HE       LYS  59  -4.117 -11.848 -11.914
  496   1HZ   LYS  59          1HZ       LYS  59  -4.490 -13.395  -9.457
  497   2HZ   LYS  59          2HZ       LYS  59  -3.488 -14.045 -10.657
  498   3HZ   LYS  59          3HZ       LYS  59  -3.139 -12.529  -9.992
  499    H    ASP  60           H        ASP  60  -8.781  -8.223  -8.956
  500    HA   ASP  60           HA       ASP  60 -10.649  -6.950 -10.668
  501   1HB   ASP  60          1HB       ASP  60 -11.338  -8.661  -9.057
  502   2HB   ASP  60          2HB       ASP  60 -10.857  -7.617  -7.724
  503    H    ALA  61           H        ALA  61  -8.930  -5.915  -7.734
  504    HA   ALA  61           HA       ALA  61 -10.152  -3.474  -7.318
  505   1HB   ALA  61          1HB       ALA  61  -7.291  -4.313  -6.901
  506   2HB   ALA  61          2HB       ALA  61  -7.923  -2.754  -6.372
  507   3HB   ALA  61          3HB       ALA  61  -8.591  -4.247  -5.711
  508    H    MET  62           H        MET  62  -7.468  -4.268  -9.493
  509    HA   MET  62           HA       MET  62  -7.117  -1.614 -10.448
  510   1HB   MET  62          1HB       MET  62  -6.223  -4.313 -11.430
  511   2HB   MET  62          2HB       MET  62  -5.907  -2.855 -12.360
  512   1HG   MET  62          1HG       MET  62  -4.931  -2.009 -10.071
  513   2HG   MET  62          2HG       MET  62  -4.772  -3.737  -9.761
  514   1HE   MET  62          1HE       MET  62  -4.278  -5.166 -11.869
  515   2HE   MET  62          2HE       MET  62  -3.089  -4.762 -13.108
  516   3HE   MET  62          3HE       MET  62  -2.555  -5.270 -11.505
  517    H    GLN  63           H        GLN  63  -8.577  -4.499 -11.961
  518    HA   GLN  63           HA       GLN  63  -9.476  -3.426 -14.301
  519   1HB   GLN  63          1HB       GLN  63  -9.789  -5.811 -13.307
  520   2HB   GLN  63          2HB       GLN  63 -11.308  -5.178 -12.688
  521   1HG   GLN  63          1HG       GLN  63 -12.228  -4.955 -14.781
  522   2HG   GLN  63          2HG       GLN  63 -10.657  -4.846 -15.576
  523   1HE2  GLN  63          2HE2      GLN  63 -10.233  -6.529 -16.791
  524   2HE2  GLN  63          1HE2      GLN  63 -10.707  -8.162 -16.484
  525    H    HIS  64           H        HIS  64 -10.611  -2.806 -11.088
  526    HA   HIS  64           HA       HIS  64 -13.068  -1.558 -11.854
  527   1HB   HIS  64          1HB       HIS  64 -12.615  -2.602  -9.604
  528   2HB   HIS  64          2HB       HIS  64 -11.577  -1.224  -9.248
  529    HD1  HIS  64           HD1      HIS  64 -15.182  -1.771 -10.352
  530    HD2  HIS  64           HD2      HIS  64 -12.897   0.747  -7.964
  531    HE1  HIS  64           HE1      HIS  64 -16.822  -0.200  -9.273
  532    HE2  HIS  64           HE2      HIS  64 -15.406   1.377  -7.909
  533    H    LEU  65           H        LEU  65 -10.131  -0.212 -10.343
  534    HA   LEU  65           HA       LEU  65 -10.732   2.468 -10.765
  535   1HB   LEU  65          1HB       LEU  65  -8.215   0.935 -10.324
  536   2HB   LEU  65          2HB       LEU  65  -8.087   2.611 -10.823
  537    HG   LEU  65           HG       LEU  65  -9.733   1.804  -8.441
  538   1HD1  LEU  65          1HD1      LEU  65  -7.077   1.265  -8.565
  539   2HD1  LEU  65          2HD1      LEU  65  -7.065   2.914  -7.941
  540   3HD1  LEU  65          3HD1      LEU  65  -7.952   1.655  -7.084
  541   1HD2  LEU  65          1HD2      LEU  65  -9.436   4.190  -9.804
  542   2HD2  LEU  65          2HD2      LEU  65 -10.067   3.988  -8.171
  543   3HD2  LEU  65          3HD2      LEU  65  -8.360   4.357  -8.417
  544    H    ASP  66           H        ASP  66  -9.830   0.076 -13.019
  545    HA   ASP  66           HA       ASP  66  -8.555   1.701 -14.957
  546   1HB   ASP  66          1HB       ASP  66  -9.967  -0.960 -15.128
  547   2HB   ASP  66          2HB       ASP  66  -9.228  -0.192 -16.529
  548    H    ARG  67           H        ARG  67 -11.915   0.860 -14.331
  549    HA   ARG  67           HA       ARG  67 -12.812   2.282 -16.705
  550   1HB   ARG  67          1HB       ARG  67 -13.939   0.313 -14.877
  551   2HB   ARG  67          2HB       ARG  67 -15.063   1.618 -15.232
  552   1HG   ARG  67          1HG       ARG  67 -15.274   1.036 -17.418
  553   2HG   ARG  67          2HG       ARG  67 -13.635   0.386 -17.518
  554   1HD   ARG  67          1HD       ARG  67 -15.074  -1.199 -15.666
  555   2HD   ARG  67          2HD       ARG  67 -16.088  -1.002 -17.096
  556    HE   ARG  67           HE       ARG  67 -13.582  -1.645 -18.036
  557   1HH1  ARG  67          1HH1      ARG  67 -15.948  -3.109 -15.945
  558   2HH1  ARG  67          2HH1      ARG  67 -15.491  -4.730 -16.344
  559   1HH2  ARG  67          1HH2      ARG  67 -12.971  -3.775 -18.574
  560   2HH2  ARG  67          2HH2      ARG  67 -13.797  -5.109 -17.840
  561    H    GLN  68           H        GLN  68 -12.027   3.053 -13.546
  562    HA   GLN  68           HA       GLN  68 -14.029   4.908 -12.859
  563   1HB   GLN  68          1HB       GLN  68 -11.731   3.927 -11.664
  564   2HB   GLN  68          2HB       GLN  68 -11.363   5.628 -11.915
  565   1HG   GLN  68          1HG       GLN  68 -12.762   6.286 -10.309
  566   2HG   GLN  68          2HG       GLN  68 -14.025   5.169 -10.823
  567   1HE2  GLN  68          2HE2      GLN  68 -12.783   2.757 -10.557
  568   2HE2  GLN  68          1HE2      GLN  68 -12.421   2.464  -8.893
  569    H    ALA  69           H        ALA  69 -10.703   5.705 -13.868
  570    HA   ALA  69           HA       ALA  69 -11.062   8.370 -14.398
  571   1HB   ALA  69          1HB       ALA  69  -9.125   6.340 -15.142
  572   2HB   ALA  69          2HB       ALA  69  -9.289   7.599 -16.367
  573   3HB   ALA  69          3HB       ALA  69  -8.880   8.030 -14.706
  574    H    ALA  70           H        ALA  70 -11.500   5.677 -16.676
  575    HA   ALA  70           HA       ALA  70 -12.184   7.190 -18.923
  576   1HB   ALA  70          1HB       ALA  70 -12.099   4.442 -18.214
  577   2HB   ALA  70          2HB       ALA  70 -13.654   4.763 -18.983
  578   3HB   ALA  70          3HB       ALA  70 -12.156   5.162 -19.823
  579    H    ALA  71           H        ALA  71 -14.105   6.139 -16.187
  580    HA   ALA  71           HA       ALA  71 -16.663   6.510 -17.184
  581   1HB   ALA  71          1HB       ALA  71 -15.488   6.046 -14.660
  582   2HB   ALA  71          2HB       ALA  71 -16.605   7.398 -14.481
  583   3HB   ALA  71          3HB       ALA  71 -17.178   5.861 -15.128
  584    H    LEU  72           H        LEU  72 -14.244   8.823 -16.604
  585    HA   LEU  72           HA       LEU  72 -16.216  10.987 -16.921
  586   1HB   LEU  72          1HB       LEU  72 -14.268  10.604 -14.855
  587   2HB   LEU  72          2HB       LEU  72 -13.861  12.046 -15.766
  588    HG   LEU  72           HG       LEU  72 -15.209  12.867 -14.061
  589   1HD1  LEU  72          1HD1      LEU  72 -16.067  13.160 -16.574
  590   2HD1  LEU  72          2HD1      LEU  72 -17.490  12.384 -15.880
  591   3HD1  LEU  72          3HD1      LEU  72 -16.884  13.891 -15.192
  592   1HD2  LEU  72          1HD2      LEU  72 -15.961  10.362 -13.592
  593   2HD2  LEU  72          2HD2      LEU  72 -16.838  11.747 -12.943
  594   3HD2  LEU  72          3HD2      LEU  72 -17.427  10.930 -14.391
  595    H    THR  73           H        THR  73 -12.832  10.043 -17.447
  596    HA   THR  73           HA       THR  73 -12.650  10.592 -20.105
  597    HB   THR  73           HB       THR  73 -11.315  12.933 -19.636
  598    HG1  THR  73           HG1      THR  73 -12.194  12.994 -17.500
  599   1HG2  THR  73          1HG2      THR  73 -13.956  12.253 -20.732
  600   2HG2  THR  73          2HG2      THR  73 -13.717  13.941 -20.277
  601   3HG2  THR  73          3HG2      THR  73 -12.629  13.178 -21.437
  602    H    ARG  74           H        ARG  74 -10.393  10.881 -20.889
  603    HA   ARG  74           HA       ARG  74  -8.640   9.128 -19.668
  604   1HB   ARG  74          1HB       ARG  74  -8.672  10.542 -22.021
  605   2HB   ARG  74          2HB       ARG  74  -7.306  11.260 -21.177
  606   1HG   ARG  74          1HG       ARG  74  -6.035   9.536 -21.718
  607   2HG   ARG  74          2HG       ARG  74  -7.150   8.431 -20.911
  608   1HD   ARG  74          1HD       ARG  74  -8.558   8.617 -23.053
  609   2HD   ARG  74          2HD       ARG  74  -7.104   9.294 -23.784
  610    HE   ARG  74           HE       ARG  74  -6.770   6.752 -22.431
  611   1HH1  ARG  74          1HH1      ARG  74  -7.342   8.424 -25.432
  612   2HH1  ARG  74          2HH1      ARG  74  -6.821   7.099 -26.420
  613   1HH2  ARG  74          1HH2      ARG  74  -6.083   5.002 -23.720
  614   2HH2  ARG  74          2HH2      ARG  74  -6.106   5.153 -25.445
  615    H    ASN  75           H        ASN  75  -7.571   9.251 -17.819
  616    HA   ASN  75           HA       ASN  75  -6.718  11.906 -16.861
  617   1HB   ASN  75          1HB       ASN  75  -8.508  10.759 -15.497
  618   2HB   ASN  75          2HB       ASN  75  -7.325   9.510 -15.123
  619   1HD2  ASN  75          2HD2      ASN  75  -8.343  12.756 -14.552
  620   2HD2  ASN  75          1HD2      ASN  75  -7.252  13.096 -13.255
  621    H    GLY  76           H        GLY  76  -5.938   8.457 -16.340
  622   1HA   GLY  76          1HA       GLY  76  -3.360   8.746 -15.415
  623   2HA   GLY  76          2HA       GLY  76  -3.915   7.363 -16.346
  Start of MODEL   19
    1   2H    MET   0          2H        MET   0  26.894  -1.598  -1.871
    2   3H    MET   0          3H        MET   0  26.286  -0.237  -1.020
    3   1H    MET   0          1H        MET   0  27.945  -0.653  -0.898
    4    HA   MET   0           HA       MET   0  25.604  -1.906   0.295
    5   1HB   MET   0          1HB       MET   0  28.036  -3.231  -0.794
    6   2HB   MET   0          2HB       MET   0  27.463  -3.769   0.778
    7   1HG   MET   0          1HG       MET   0  26.136  -5.143  -0.349
    8   2HG   MET   0          2HG       MET   0  25.165  -3.717  -0.712
    9   1HE   MET   0          1HE       MET   0  28.503  -5.073  -1.566
   10   2HE   MET   0          2HE       MET   0  27.912  -6.282  -2.705
   11   3HE   MET   0          3HE       MET   0  28.692  -4.816  -3.300
   12    H    GLN   1           H        GLN   1  27.321   0.507   0.689
   13    HA   GLN   1           HA       GLN   1  29.262   0.406   2.556
   14   1HB   GLN   1          1HB       GLN   1  27.417   2.348   1.690
   15   2HB   GLN   1          2HB       GLN   1  27.327   2.351   3.446
   16   1HG   GLN   1          1HG       GLN   1  30.063   2.272   2.520
   17   2HG   GLN   1          2HG       GLN   1  29.188   3.659   1.872
   18   1HE2  GLN   1          2HE2      GLN   1  29.175   1.926   4.971
   19   2HE2  GLN   1          1HE2      GLN   1  29.416   3.329   5.951
   20    H    HIS   2           H        HIS   2  25.787   0.365   3.357
   21    HA   HIS   2           HA       HIS   2  26.497  -0.929   5.909
   22   1HB   HIS   2          1HB       HIS   2  24.292   0.070   6.729
   23   2HB   HIS   2          2HB       HIS   2  25.629   1.190   6.489
   24    HD1  HIS   2           HD1      HIS   2  23.945   3.148   6.197
   25    HD2  HIS   2           HD2      HIS   2  23.609   0.147   3.344
   26    HE1  HIS   2           HE1      HIS   2  22.512   4.116   4.371
   27    HE2  HIS   2           HE2      HIS   2  22.398   2.313   2.613
   28    H    HIS   3           H        HIS   3  24.374  -2.019   6.835
   29    HA   HIS   3           HA       HIS   3  23.874  -4.312   5.451
   30   1HB   HIS   3          1HB       HIS   3  23.001  -3.251   7.830
   31   2HB   HIS   3          2HB       HIS   3  21.505  -3.378   6.908
   32    HD1  HIS   3           HD1      HIS   3  24.220  -5.468   8.424
   33    HD2  HIS   3           HD2      HIS   3  20.596  -5.972   6.453
   34    HE1  HIS   3           HE1      HIS   3  23.636  -7.897   8.701
   35    HE2  HIS   3           HE2      HIS   3  21.398  -8.159   7.577
   36    H    GLY   4           H        GLY   4  22.571  -4.992   3.834
   37   1HA   GLY   4          1HA       GLY   4  21.017  -4.929   2.139
   38   2HA   GLY   4          2HA       GLY   4  20.248  -3.588   2.974
   39    H    VAL   5           H        VAL   5  20.484  -3.765   0.178
   40    HA   VAL   5           HA       VAL   5  22.199  -1.430  -0.327
   41    HB   VAL   5           HB       VAL   5  23.262  -3.521  -1.212
   42   1HG1  VAL   5          1HG1      VAL   5  20.690  -4.105  -2.068
   43   2HG1  VAL   5          2HG1      VAL   5  21.561  -3.709  -3.549
   44   3HG1  VAL   5          3HG1      VAL   5  22.163  -4.981  -2.485
   45   1HG2  VAL   5          1HG2      VAL   5  23.427  -1.120  -2.190
   46   2HG2  VAL   5          2HG2      VAL   5  24.065  -2.480  -3.115
   47   3HG2  VAL   5          3HG2      VAL   5  22.494  -1.792  -3.528
   48    H    THR   6           H        THR   6  19.862  -0.648   0.161
   49    HA   THR   6           HA       THR   6  18.502  -0.345  -2.428
   50    HB   THR   6           HB       THR   6  16.408  -0.092  -0.769
   51    HG1  THR   6           HG1      THR   6  17.818  -2.202   0.443
   52   1HG2  THR   6          1HG2      THR   6  17.520  -2.574  -2.009
   53   2HG2  THR   6          2HG2      THR   6  16.021  -2.605  -1.080
   54   3HG2  THR   6          3HG2      THR   6  16.147  -1.590  -2.517
   55    H    LYS   7           H        LYS   7  16.687   1.494  -1.999
   56    HA   LYS   7           HA       LYS   7  16.955   3.572  -0.292
   57   1HB   LYS   7          1HB       LYS   7  19.315   3.387  -1.890
   58   2HB   LYS   7          2HB       LYS   7  18.451   4.848  -2.350
   59   1HG   LYS   7          1HG       LYS   7  18.410   4.779   0.451
   60   2HG   LYS   7          2HG       LYS   7  20.049   4.333  -0.030
   61   1HD   LYS   7          1HD       LYS   7  18.961   6.569  -1.558
   62   2HD   LYS   7          2HD       LYS   7  19.075   6.895   0.172
   63   1HE   LYS   7          1HE       LYS   7  21.176   7.518  -0.435
   64   2HE   LYS   7          2HE       LYS   7  21.469   5.800  -0.172
   65   1HZ   LYS   7          1HZ       LYS   7  20.574   6.283  -2.823
   66   2HZ   LYS   7          2HZ       LYS   7  21.938   7.224  -2.479
   67   3HZ   LYS   7          3HZ       LYS   7  22.000   5.543  -2.295
   68    H    CYS   8           H        CYS   8  15.009   2.409  -1.828
   69    HA   CYS   8           HA       CYS   8  14.288   4.503  -3.763
   70   1HB   CYS   8          1HB       CYS   8  14.273   2.517  -4.976
   71   2HB   CYS   8          2HB       CYS   8  13.672   1.574  -3.618
   72    H    ASN   9           H        ASN   9  12.447   5.630  -3.525
   73    HA   ASN   9           HA       ASN   9  11.286   6.225  -1.191
   74   1HB   ASN   9          1HB       ASN   9   9.070   6.448  -2.686
   75   2HB   ASN   9          2HB       ASN   9  10.425   7.564  -2.824
   76   1HD2  ASN   9          2HD2      ASN   9   8.488   5.278  -4.402
   77   2HD2  ASN   9          1HD2      ASN   9   9.334   5.243  -5.907
   78    H    ILE  10           H        ILE  10   9.725   3.887  -3.394
   79    HA   ILE  10           HA       ILE  10   8.851   2.362  -1.037
   80    HB   ILE  10           HB       ILE  10   6.992   3.812  -1.854
   81   1HG1  ILE  10          1HG1      ILE  10   6.183   1.002  -2.437
   82   2HG1  ILE  10          2HG1      ILE  10   6.879   1.349  -0.858
   83   1HG2  ILE  10          1HG2      ILE  10   7.777   3.466  -4.304
   84   2HG2  ILE  10          2HG2      ILE  10   6.772   2.019  -4.236
   85   3HG2  ILE  10          3HG2      ILE  10   6.054   3.605  -3.958
   86   1HD1  ILE  10          1HD1      ILE  10   4.587   2.924  -1.963
   87   2HD1  ILE  10          2HD1      ILE  10   4.360   1.427  -1.057
   88   3HD1  ILE  10          3HD1      ILE  10   5.148   2.809  -0.295
   89    H    THR  11           H        THR  11   9.754   0.423  -1.224
   90    HA   THR  11           HA       THR  11   9.829  -0.832  -3.890
   91    HB   THR  11           HB       THR  11  12.040  -0.202  -2.631
   92    HG1  THR  11           HG1      THR  11  13.006  -2.062  -3.565
   93   1HG2  THR  11          1HG2      THR  11  11.190  -1.549  -0.572
   94   2HG2  THR  11          2HG2      THR  11  11.781  -2.936  -1.489
   95   3HG2  THR  11          3HG2      THR  11  12.885  -1.631  -1.056
   96    H    CYS  12           H        CYS  12   8.824  -2.729  -4.133
   97    HA   CYS  12           HA       CYS  12   7.226  -3.770  -2.009
   98   1HB   CYS  12          1HB       CYS  12   7.788  -5.139  -4.638
   99   2HB   CYS  12          2HB       CYS  12   6.367  -5.304  -3.613
  100    H    SER  13           H        SER  13   8.966  -4.215  -0.478
  101    HA   SER  13           HA       SER  13  10.891  -6.250  -1.016
  102   1HB   SER  13          1HB       SER  13  11.083  -4.407   0.731
  103   2HB   SER  13          2HB       SER  13   9.973  -5.357   1.719
  104    HG   SER  13           HG       SER  13  11.497  -7.083   1.586
  105    H    LYS  14           H        LYS  14   7.601  -6.243  -0.037
  106    HA   LYS  14           HA       LYS  14   7.499  -9.113  -0.116
  107   1HB   LYS  14          1HB       LYS  14   6.224  -8.922   2.247
  108   2HB   LYS  14          2HB       LYS  14   7.928  -9.334   2.101
  109   1HG   LYS  14          1HG       LYS  14   7.843  -7.704   3.769
  110   2HG   LYS  14          2HG       LYS  14   8.388  -6.843   2.328
  111   1HD   LYS  14          1HD       LYS  14   5.841  -6.378   1.990
  112   2HD   LYS  14          2HD       LYS  14   5.743  -6.742   3.716
  113   1HE   LYS  14          1HE       LYS  14   6.709  -4.804   4.294
  114   2HE   LYS  14          2HE       LYS  14   7.915  -4.918   3.014
  115   1HZ   LYS  14          1HZ       LYS  14   6.257  -4.128   1.437
  116   2HZ   LYS  14          2HZ       LYS  14   5.108  -4.008   2.674
  117   3HZ   LYS  14          3HZ       LYS  14   6.474  -3.013   2.691
  118    H    MET  15           H        MET  15   5.092  -9.710   0.785
  119    HA   MET  15           HA       MET  15   3.326  -7.977  -0.791
  120   1HB   MET  15          1HB       MET  15   3.042 -10.854   0.084
  121   2HB   MET  15          2HB       MET  15   1.781  -9.958  -0.750
  122   1HG   MET  15          1HG       MET  15   4.488 -10.733  -1.791
  123   2HG   MET  15          2HG       MET  15   2.910 -11.266  -2.365
  124   1HE   MET  15          1HE       MET  15   5.592  -9.973  -3.606
  125   2HE   MET  15          2HE       MET  15   5.270  -8.519  -4.550
  126   3HE   MET  15          3HE       MET  15   5.694  -8.388  -2.843
  127    H    THR  16           H        THR  16   1.086  -7.712  -0.016
  128    HA   THR  16           HA       THR  16   1.038  -7.406   2.912
  129    HB   THR  16           HB       THR  16   0.896  -5.336   1.435
  130    HG1  THR  16           HG1      THR  16  -0.087  -5.783   3.692
  131   1HG2  THR  16          1HG2      THR  16  -0.883  -6.573  -0.066
  132   2HG2  THR  16          2HG2      THR  16  -1.998  -5.886   1.115
  133   3HG2  THR  16          3HG2      THR  16  -0.932  -4.829   0.189
  134    H    SER  17           H        SER  17  -1.636  -6.959   3.293
  135    HA   SER  17           HA       SER  17  -2.759  -9.606   2.692
  136   1HB   SER  17          1HB       SER  17  -4.384  -8.489   4.626
  137   2HB   SER  17          2HB       SER  17  -3.060  -9.615   4.925
  138    HG   SER  17           HG       SER  17  -3.261  -6.984   5.554
  139    H    LYS  18           H        LYS  18  -5.148  -9.698   2.433
  140    HA   LYS  18           HA       LYS  18  -5.993  -8.124   0.287
  141   1HB   LYS  18          1HB       LYS  18  -6.929 -10.336   0.780
  142   2HB   LYS  18          2HB       LYS  18  -7.673  -9.705   2.243
  143   1HG   LYS  18          1HG       LYS  18  -8.841  -8.043   0.627
  144   2HG   LYS  18          2HG       LYS  18  -8.406  -9.224  -0.611
  145   1HD   LYS  18          1HD       LYS  18  -9.553 -10.974   0.700
  146   2HD   LYS  18          2HD       LYS  18 -10.042  -9.748   1.871
  147   1HE   LYS  18          1HE       LYS  18 -11.865  -9.434   0.635
  148   2HE   LYS  18          2HE       LYS  18 -10.818  -8.711  -0.586
  149   1HZ   LYS  18          1HZ       LYS  18 -10.483 -11.127  -1.346
  150   2HZ   LYS  18          2HZ       LYS  18 -11.888 -11.454  -0.463
  151   3HZ   LYS  18          3HZ       LYS  18 -11.933 -10.350  -1.744
  152    H    ILE  19           H        ILE  19  -7.074  -6.246   0.105
  153    HA   ILE  19           HA       ILE  19  -8.097  -4.987   2.561
  154    HB   ILE  19           HB       ILE  19  -6.563  -3.568   0.381
  155   1HG1  ILE  19          1HG1      ILE  19  -5.744  -3.948   3.261
  156   2HG1  ILE  19          2HG1      ILE  19  -5.244  -5.052   1.982
  157   1HG2  ILE  19          1HG2      ILE  19  -8.405  -2.278   1.467
  158   2HG2  ILE  19          2HG2      ILE  19  -7.563  -2.477   3.004
  159   3HG2  ILE  19          3HG2      ILE  19  -6.799  -1.583   1.688
  160   1HD1  ILE  19          1HD1      ILE  19  -4.682  -2.409   1.131
  161   2HD1  ILE  19          2HD1      ILE  19  -4.060  -2.614   2.769
  162   3HD1  ILE  19          3HD1      ILE  19  -3.559  -3.720   1.490
  163    HA   PRO  20           HA       PRO  20 -11.797  -4.331   0.252
  164   1HB   PRO  20          1HB       PRO  20 -12.225  -1.854   1.763
  165   2HB   PRO  20          2HB       PRO  20 -13.164  -3.345   1.772
  166   1HG   PRO  20          1HG       PRO  20 -11.629  -2.586   3.861
  167   2HG   PRO  20          2HG       PRO  20 -11.906  -4.286   3.445
  168   1HD   PRO  20          1HD       PRO  20  -9.527  -2.563   2.928
  169   2HD   PRO  20          2HD       PRO  20  -9.600  -4.276   3.386
  170    H    VAL  21           H        VAL  21 -12.344  -3.330  -1.601
  171    HA   VAL  21           HA       VAL  21 -10.576  -1.478  -2.805
  172    HB   VAL  21           HB       VAL  21 -13.343  -2.390  -3.583
  173   1HG1  VAL  21          1HG1      VAL  21 -11.487  -0.470  -4.954
  174   2HG1  VAL  21          2HG1      VAL  21 -12.703  -1.391  -5.840
  175   3HG1  VAL  21          3HG1      VAL  21 -13.196  -0.268  -4.573
  176   1HG2  VAL  21          1HG2      VAL  21 -11.246  -3.915  -3.631
  177   2HG2  VAL  21          2HG2      VAL  21 -12.314  -3.875  -5.033
  178   3HG2  VAL  21          3HG2      VAL  21 -10.802  -2.968  -5.052
  179    H    ALA  22           H        ALA  22 -13.190  -1.091  -0.657
  180    HA   ALA  22           HA       ALA  22 -14.198   1.411  -1.434
  181   1HB   ALA  22          1HB       ALA  22 -14.463  -0.367   0.810
  182   2HB   ALA  22          2HB       ALA  22 -14.355   1.306   1.357
  183   3HB   ALA  22          3HB       ALA  22 -15.595   0.837   0.194
  184    H    LEU  23           H        LEU  23 -11.180   0.545  -0.115
  185    HA   LEU  23           HA       LEU  23 -10.673   3.293   0.797
  186   1HB   LEU  23          1HB       LEU  23  -8.992   0.824   1.228
  187   2HB   LEU  23          2HB       LEU  23  -8.720   2.402   1.936
  188    HG   LEU  23           HG       LEU  23  -9.679   1.159   3.665
  189   1HD1  LEU  23          1HD1      LEU  23 -10.936   3.366   2.772
  190   2HD1  LEU  23          2HD1      LEU  23 -12.268   2.211   2.741
  191   3HD1  LEU  23          3HD1      LEU  23 -11.390   2.503   4.242
  192   1HD2  LEU  23          1HD2      LEU  23 -10.598  -0.503   1.726
  193   2HD2  LEU  23          2HD2      LEU  23 -11.050  -0.599   3.428
  194   3HD2  LEU  23          3HD2      LEU  23 -12.097   0.241   2.285
  195    H    LEU  24           H        LEU  24 -10.034   1.091  -1.728
  196    HA   LEU  24           HA       LEU  24  -7.534   2.185  -2.583
  197   1HB   LEU  24          1HB       LEU  24  -9.574   0.429  -3.939
  198   2HB   LEU  24          2HB       LEU  24  -8.090   0.939  -4.719
  199    HG   LEU  24           HG       LEU  24  -8.449  -0.936  -2.407
  200   1HD1  LEU  24          1HD1      LEU  24  -7.589  -1.071  -5.187
  201   2HD1  LEU  24          2HD1      LEU  24  -6.479  -1.865  -4.070
  202   3HD1  LEU  24          3HD1      LEU  24  -8.175  -2.344  -4.116
  203   1HD2  LEU  24          1HD2      LEU  24  -6.107   0.811  -3.004
  204   2HD2  LEU  24          2HD2      LEU  24  -6.779   0.320  -1.449
  205   3HD2  LEU  24          3HD2      LEU  24  -5.838  -0.826  -2.406
  206    H    ILE  25           H        ILE  25  -7.160   3.930  -3.795
  207    HA   ILE  25           HA       ILE  25  -9.448   5.179  -5.173
  208    HB   ILE  25           HB       ILE  25  -8.507   7.368  -4.712
  209   1HG1  ILE  25          1HG1      ILE  25  -6.397   5.871  -3.139
  210   2HG1  ILE  25          2HG1      ILE  25  -6.134   6.733  -4.652
  211   1HG2  ILE  25          1HG2      ILE  25  -9.684   5.660  -2.840
  212   2HG2  ILE  25          2HG2      ILE  25  -8.410   6.512  -1.969
  213   3HG2  ILE  25          3HG2      ILE  25  -9.661   7.423  -2.816
  214   1HD1  ILE  25          1HD1      ILE  25  -7.250   8.199  -2.315
  215   2HD1  ILE  25          2HD1      ILE  25  -5.524   7.839  -2.381
  216   3HD1  ILE  25          3HD1      ILE  25  -6.275   8.794  -3.659
  217    H    HIS  26           H        HIS  26  -6.035   4.403  -5.223
  218    HA   HIS  26           HA       HIS  26  -6.020   4.629  -8.107
  219   1HB   HIS  26          1HB       HIS  26  -4.878   6.689  -6.421
  220   2HB   HIS  26          2HB       HIS  26  -3.643   5.940  -7.428
  221    HD1  HIS  26           HD1      HIS  26  -3.433   6.871  -9.709
  222    HD2  HIS  26           HD2      HIS  26  -7.179   7.609  -8.071
  223    HE1  HIS  26           HE1      HIS  26  -4.630   8.308 -11.390
  224    HE2  HIS  26           HE2      HIS  26  -6.928   8.663 -10.420
  225    H    TYR  27           H        TYR  27  -4.413   3.418  -9.092
  226    HA   TYR  27           HA       TYR  27  -2.742   1.806  -7.278
  227   1HB   TYR  27          1HB       TYR  27  -3.139  -0.130  -8.549
  228   2HB   TYR  27          2HB       TYR  27  -4.720   0.638  -8.440
  229    HD1  TYR  27           HD1      TYR  27  -5.500   2.053 -10.419
  230    HD2  TYR  27           HD2      TYR  27  -2.184  -0.619 -10.636
  231    HE1  TYR  27           HE1      TYR  27  -5.680   2.038 -12.876
  232    HE2  TYR  27           HE2      TYR  27  -2.354  -0.637 -13.094
  233    HH   TYR  27           HH       TYR  27  -3.456   0.107 -14.873
  234    H    GLN  28           H        GLN  28  -0.737   1.007  -8.202
  235    HA   GLN  28           HA       GLN  28   0.208   2.332 -10.616
  236   1HB   GLN  28          1HB       GLN  28   1.988   2.556  -8.235
  237   2HB   GLN  28          2HB       GLN  28   1.892   3.579  -9.662
  238   1HG   GLN  28          1HG       GLN  28   1.038   4.957  -8.043
  239   2HG   GLN  28          2HG       GLN  28  -0.431   4.242  -8.708
  240   1HE2  GLN  28          2HE2      GLN  28   1.115   5.025  -5.925
  241   2HE2  GLN  28          1HE2      GLN  28   0.326   3.940  -4.836
  242    H    GLN  29           H        GLN  29   2.976   1.780 -10.044
  243    HA   GLN  29           HA       GLN  29   3.133  -1.086  -9.605
  244   1HB   GLN  29          1HB       GLN  29   2.632  -0.406 -12.127
  245   2HB   GLN  29          2HB       GLN  29   4.370  -0.134 -12.143
  246   1HG   GLN  29          1HG       GLN  29   4.861  -2.354 -11.830
  247   2HG   GLN  29          2HG       GLN  29   3.307  -2.702 -11.075
  248   1HE2  GLN  29          2HE2      GLN  29   1.449  -1.980 -12.743
  249   2HE2  GLN  29          1HE2      GLN  29   1.603  -2.743 -14.286
  250    H    ASN  30           H        ASN  30   5.243  -1.835  -9.204
  251    HA   ASN  30           HA       ASN  30   6.969   0.081  -8.016
  252   1HB   ASN  30          1HB       ASN  30   6.601  -2.534  -7.597
  253   2HB   ASN  30          2HB       ASN  30   7.998  -2.635  -8.664
  254   1HD2  ASN  30          2HD2      ASN  30   9.268  -3.447  -6.988
  255   2HD2  ASN  30          1HD2      ASN  30   9.860  -2.431  -5.723
  256    H    GLN  31           H        GLN  31   9.155   0.556  -8.576
  257    HA   GLN  31           HA       GLN  31   9.509   0.981 -11.394
  258   1HB   GLN  31          1HB       GLN  31  11.124   1.662  -8.951
  259   2HB   GLN  31          2HB       GLN  31  11.768   1.918 -10.567
  260   1HG   GLN  31          1HG       GLN  31   9.395   3.221  -9.278
  261   2HG   GLN  31          2HG       GLN  31  10.861   3.975  -9.901
  262   1HE2  GLN  31          2HE2      GLN  31   7.676   3.164 -10.549
  263   2HE2  GLN  31          1HE2      GLN  31   7.666   3.484 -12.247
  264    H    ALA  32           H        ALA  32  11.278   0.250 -12.663
  265    HA   ALA  32           HA       ALA  32  11.897  -2.499 -12.284
  266   1HB   ALA  32          1HB       ALA  32  12.784  -0.442 -14.284
  267   2HB   ALA  32          2HB       ALA  32  13.418  -2.088 -14.292
  268   3HB   ALA  32          3HB       ALA  32  11.691  -1.807 -14.515
  269    H    SER  33           H        SER  33  13.209   0.238 -10.919
  270    HA   SER  33           HA       SER  33  15.691  -1.200 -10.278
  271   1HB   SER  33          1HB       SER  33  16.998   0.802 -10.446
  272   2HB   SER  33          2HB       SER  33  16.063   0.675 -11.936
  273    HG   SER  33           HG       SER  33  14.918   2.380 -11.384
  274    H    CYS  34           H        CYS  34  13.245  -1.115  -8.809
  275    HA   CYS  34           HA       CYS  34  14.100   0.406  -6.433
  276   1HB   CYS  34          1HB       CYS  34  12.026   1.312  -7.352
  277   2HB   CYS  34          2HB       CYS  34  11.288  -0.286  -7.313
  278    H    GLY  35           H        GLY  35  11.756  -2.204  -7.055
  279   1HA   GLY  35          1HA       GLY  35  13.275  -3.939  -5.238
  280   2HA   GLY  35          2HA       GLY  35  11.589  -3.612  -4.874
  281    H    LYS  36           H        LYS  36  10.207  -5.099  -5.554
  282    HA   LYS  36           HA       LYS  36  11.038  -6.890  -7.729
  283   1HB   LYS  36          1HB       LYS  36   8.729  -7.356  -5.854
  284   2HB   LYS  36          2HB       LYS  36   9.597  -8.535  -6.828
  285   1HG   LYS  36          1HG       LYS  36  10.710  -7.056  -4.451
  286   2HG   LYS  36          2HG       LYS  36  10.154  -8.731  -4.464
  287   1HD   LYS  36          1HD       LYS  36  11.943  -8.630  -6.564
  288   2HD   LYS  36          2HD       LYS  36  12.688  -7.602  -5.338
  289   1HE   LYS  36          1HE       LYS  36  11.856  -9.723  -3.847
  290   2HE   LYS  36          2HE       LYS  36  12.272 -10.504  -5.371
  291   1HZ   LYS  36          1HZ       LYS  36  14.411  -9.067  -5.138
  292   2HZ   LYS  36          2HZ       LYS  36  14.003  -9.055  -3.496
  293   3HZ   LYS  36          3HZ       LYS  36  14.272 -10.524  -4.289
  294    H    ARG  37           H        ARG  37   9.516  -7.494  -9.356
  295    HA   ARG  37           HA       ARG  37   8.009  -5.302 -10.352
  296   1HB   ARG  37          1HB       ARG  37   9.171  -7.372 -11.555
  297   2HB   ARG  37          2HB       ARG  37   7.556  -8.053 -11.405
  298   1HG   ARG  37          1HG       ARG  37   6.730  -5.906 -12.500
  299   2HG   ARG  37          2HG       ARG  37   8.420  -5.609 -12.912
  300   1HD   ARG  37          1HD       ARG  37   7.665  -8.312 -13.566
  301   2HD   ARG  37          2HD       ARG  37   6.570  -7.158 -14.326
  302    HE   ARG  37           HE       ARG  37   9.375  -6.548 -14.632
  303   1HH1  ARG  37          1HH1      ARG  37   6.604  -8.185 -15.955
  304   2HH1  ARG  37          2HH1      ARG  37   7.228  -8.217 -17.569
  305   1HH2  ARG  37          1HH2      ARG  37  10.209  -6.579 -16.756
  306   2HH2  ARG  37          2HH2      ARG  37   9.278  -7.302 -18.026
  307    H    ALA  38           H        ALA  38   6.592  -4.956  -8.510
  308    HA   ALA  38           HA       ALA  38   4.261  -6.759  -8.559
  309   1HB   ALA  38          1HB       ALA  38   5.537  -5.350  -6.232
  310   2HB   ALA  38          2HB       ALA  38   3.885  -5.963  -6.173
  311   3HB   ALA  38          3HB       ALA  38   5.228  -7.074  -6.438
  312    H    ILE  39           H        ILE  39   2.407  -5.384  -7.251
  313    HA   ILE  39           HA       ILE  39   2.090  -2.940  -8.861
  314    HB   ILE  39           HB       ILE  39   0.001  -4.750  -7.646
  315   1HG1  ILE  39          1HG1      ILE  39   1.274  -5.387  -9.808
  316   2HG1  ILE  39          2HG1      ILE  39  -0.486  -5.464  -9.822
  317   1HG2  ILE  39          1HG2      ILE  39  -0.267  -2.116  -9.072
  318   2HG2  ILE  39          2HG2      ILE  39  -1.598  -3.263  -8.913
  319   3HG2  ILE  39          3HG2      ILE  39  -0.865  -2.557  -7.472
  320   1HD1  ILE  39          1HD1      ILE  39  -0.425  -3.130 -10.811
  321   2HD1  ILE  39          2HD1      ILE  39   1.298  -3.404 -11.065
  322   3HD1  ILE  39          3HD1      ILE  39   0.115  -4.454 -11.843
  323    H    ILE  40           H        ILE  40   1.324  -1.047  -7.916
  324    HA   ILE  40           HA       ILE  40   1.639  -0.935  -4.995
  325    HB   ILE  40           HB       ILE  40   1.555   1.490  -6.757
  326   1HG1  ILE  40          1HG1      ILE  40   3.225  -0.038  -7.739
  327   2HG1  ILE  40          2HG1      ILE  40   3.983   1.379  -7.016
  328   1HG2  ILE  40          1HG2      ILE  40   2.590   0.809  -4.033
  329   2HG2  ILE  40          2HG2      ILE  40   3.221   2.203  -4.911
  330   3HG2  ILE  40          3HG2      ILE  40   1.502   2.108  -4.524
  331   1HD1  ILE  40          1HD1      ILE  40   3.729  -0.971  -5.266
  332   2HD1  ILE  40          2HD1      ILE  40   4.833  -1.130  -6.630
  333   3HD1  ILE  40          3HD1      ILE  40   5.060   0.169  -5.460
  334    H    LEU  41           H        LEU  41   0.066  -0.082  -3.692
  335    HA   LEU  41           HA       LEU  41  -2.459   0.681  -5.004
  336   1HB   LEU  41          1HB       LEU  41  -2.146  -0.895  -2.450
  337   2HB   LEU  41          2HB       LEU  41  -3.666  -0.392  -3.161
  338    HG   LEU  41           HG       LEU  41  -1.719  -2.400  -4.284
  339   1HD1  LEU  41          1HD1      LEU  41  -4.471  -2.566  -3.099
  340   2HD1  LEU  41          2HD1      LEU  41  -3.818  -3.833  -4.138
  341   3HD1  LEU  41          3HD1      LEU  41  -3.010  -3.431  -2.621
  342   1HD2  LEU  41          1HD2      LEU  41  -3.535  -0.696  -5.669
  343   2HD2  LEU  41          2HD2      LEU  41  -2.511  -1.981  -6.312
  344   3HD2  LEU  41          3HD2      LEU  41  -4.139  -2.352  -5.741
  345    H    GLU  42           H        GLU  42  -3.323   2.555  -4.394
  346    HA   GLU  42           HA       GLU  42  -2.282   3.838  -1.953
  347   1HB   GLU  42          1HB       GLU  42  -1.450   4.939  -3.991
  348   2HB   GLU  42          2HB       GLU  42  -3.105   5.175  -4.538
  349   1HG   GLU  42          1HG       GLU  42  -3.503   6.542  -2.487
  350   2HG   GLU  42          2HG       GLU  42  -1.775   6.427  -2.152
  351    H    THR  43           H        THR  43  -3.762   4.346  -0.463
  352    HA   THR  43           HA       THR  43  -6.594   4.215  -1.244
  353    HB   THR  43           HB       THR  43  -7.107   3.647   1.001
  354    HG1  THR  43           HG1      THR  43  -5.591   3.799   2.655
  355   1HG2  THR  43          1HG2      THR  43  -4.516   2.273   0.329
  356   2HG2  THR  43          2HG2      THR  43  -5.688   1.735   1.533
  357   3HG2  THR  43          3HG2      THR  43  -6.130   1.769  -0.174
  358    H    ARG  44           H        ARG  44  -8.082   5.657  -0.023
  359    HA   ARG  44           HA       ARG  44  -7.416   8.353  -0.432
  360   1HB   ARG  44          1HB       ARG  44  -9.534   8.664   1.101
  361   2HB   ARG  44          2HB       ARG  44  -9.688   8.017  -0.528
  362   1HG   ARG  44          1HG       ARG  44 -10.076   5.865   0.221
  363   2HG   ARG  44          2HG       ARG  44  -9.333   6.170   1.792
  364   1HD   ARG  44          1HD       ARG  44 -11.239   6.967   2.673
  365   2HD   ARG  44          2HD       ARG  44 -11.660   7.852   1.207
  366    HE   ARG  44           HE       ARG  44 -12.004   5.106   0.745
  367   1HH1  ARG  44          1HH1      ARG  44 -13.405   7.707   2.589
  368   2HH1  ARG  44          2HH1      ARG  44 -14.995   7.023   2.592
  369   1HH2  ARG  44          1HH2      ARG  44 -14.096   4.195   0.743
  370   2HH2  ARG  44          2HH2      ARG  44 -15.389   5.025   1.543
  371    H    GLN  45           H        GLN  45  -6.583   6.290   2.091
  372    HA   GLN  45           HA       GLN  45  -6.239   8.502   3.990
  373   1HB   GLN  45          1HB       GLN  45  -5.782   5.599   4.625
  374   2HB   GLN  45          2HB       GLN  45  -6.170   6.916   5.722
  375   1HG   GLN  45          1HG       GLN  45  -8.214   6.420   3.696
  376   2HG   GLN  45          2HG       GLN  45  -7.933   5.067   4.791
  377   1HE2  GLN  45          2HE2      GLN  45  -9.642   5.130   6.101
  378   2HE2  GLN  45          1HE2      GLN  45 -10.118   6.492   7.051
  379    H    HIS  46           H        HIS  46  -4.568   8.011   1.616
  380    HA   HIS  46           HA       HIS  46  -2.380   8.003   1.000
  381   1HB   HIS  46          1HB       HIS  46  -1.848   8.714   3.890
  382   2HB   HIS  46          2HB       HIS  46  -0.808   9.045   2.508
  383    HD1  HIS  46           HD1      HIS  46  -3.540   9.972   0.854
  384    HD2  HIS  46           HD2      HIS  46  -1.912  11.528   4.345
  385    HE1  HIS  46           HE1      HIS  46  -4.407  12.328   1.007
  386    HE2  HIS  46           HE2      HIS  46  -3.318  13.284   3.069
  387    H    ARG  47           H        ARG  47  -3.297   5.492   1.438
  388    HA   ARG  47           HA       ARG  47  -1.209   4.154   3.015
  389   1HB   ARG  47          1HB       ARG  47  -3.606   3.625   3.509
  390   2HB   ARG  47          2HB       ARG  47  -3.741   2.959   1.891
  391   1HG   ARG  47          1HG       ARG  47  -1.611   1.597   2.764
  392   2HG   ARG  47          2HG       ARG  47  -2.471   1.850   4.280
  393   1HD   ARG  47          1HD       ARG  47  -4.537   1.066   2.859
  394   2HD   ARG  47          2HD       ARG  47  -3.289   0.314   1.866
  395    HE   ARG  47           HE       ARG  47  -3.012  -1.254   3.500
  396   1HH1  ARG  47          1HH1      ARG  47  -4.601   1.520   4.877
  397   2HH1  ARG  47          2HH1      ARG  47  -4.867   0.768   6.415
  398   1HH2  ARG  47          1HH2      ARG  47  -3.353  -2.255   5.521
  399   2HH2  ARG  47          2HH2      ARG  47  -4.155  -1.378   6.781
  400    H    LEU  48           H        LEU  48   0.514   3.608   1.863
  401    HA   LEU  48           HA       LEU  48   0.128   2.695  -0.910
  402   1HB   LEU  48          1HB       LEU  48   2.684   3.706   0.330
  403   2HB   LEU  48          2HB       LEU  48   2.382   3.387  -1.367
  404    HG   LEU  48           HG       LEU  48   0.931   5.521   0.192
  405   1HD1  LEU  48          1HD1      LEU  48   3.415   5.734  -1.500
  406   2HD1  LEU  48          2HD1      LEU  48   2.445   7.106  -0.964
  407   3HD1  LEU  48          3HD1      LEU  48   3.264   6.088   0.221
  408   1HD2  LEU  48          1HD2      LEU  48   0.935   4.562  -2.606
  409   2HD2  LEU  48          2HD2      LEU  48  -0.369   5.262  -1.646
  410   3HD2  LEU  48          3HD2      LEU  48   0.861   6.307  -2.359
  411    H    PHE  49           H        PHE  49   0.272   0.577  -1.176
  412    HA   PHE  49           HA       PHE  49   2.272  -0.915   0.371
  413   1HB   PHE  49          1HB       PHE  49  -0.651  -1.554   0.069
  414   2HB   PHE  49          2HB       PHE  49   0.527  -2.823   0.383
  415    HD1  PHE  49           HD1      PHE  49  -0.302   0.580   1.690
  416    HD2  PHE  49           HD2      PHE  49   0.777  -3.450   2.573
  417    HE1  PHE  49           HE1      PHE  49  -0.418   1.084   4.099
  418    HE2  PHE  49           HE2      PHE  49   0.661  -2.955   4.987
  419    HZ   PHE  49           HZ       PHE  49   0.066  -0.686   5.752
  420    H    CYS  50           H        CYS  50   2.545  -3.186  -0.587
  421    HA   CYS  50           HA       CYS  50   2.406  -3.010  -3.526
  422   1HB   CYS  50          1HB       CYS  50   4.637  -3.780  -1.708
  423   2HB   CYS  50          2HB       CYS  50   4.488  -4.651  -3.230
  424    H    ALA  51           H        ALA  51   0.902  -4.385  -4.212
  425    HA   ALA  51           HA       ALA  51   0.726  -7.030  -2.918
  426   1HB   ALA  51          1HB       ALA  51  -1.415  -5.377  -4.244
  427   2HB   ALA  51          2HB       ALA  51  -1.624  -7.069  -3.794
  428   3HB   ALA  51          3HB       ALA  51  -1.313  -5.857  -2.551
  429    H    ASP  52           H        ASP  52   0.663  -8.857  -4.185
  430    HA   ASP  52           HA       ASP  52   1.948  -8.720  -6.707
  431   1HB   ASP  52          1HB       ASP  52   1.233 -10.748  -4.828
  432   2HB   ASP  52          2HB       ASP  52   0.659 -11.241  -6.419
  433    HA   PRO  53           HA       PRO  53  -1.482  -7.862  -9.365
  434   1HB   PRO  53          1HB       PRO  53  -0.416  -9.018 -11.635
  435   2HB   PRO  53          2HB       PRO  53  -0.067  -7.379 -11.077
  436   1HG   PRO  53          1HG       PRO  53   1.514  -9.886 -10.712
  437   2HG   PRO  53          2HG       PRO  53   2.081  -8.244 -11.067
  438   1HD   PRO  53          1HD       PRO  53   2.255  -9.283  -8.602
  439   2HD   PRO  53          2HD       PRO  53   1.878  -7.565  -8.856
  440    H    LYS  54           H        LYS  54  -0.298 -10.979  -8.599
  441    HA   LYS  54           HA       LYS  54  -2.232 -12.452 -10.139
  442   1HB   LYS  54          1HB       LYS  54  -1.274 -14.399  -9.229
  443   2HB   LYS  54          2HB       LYS  54   0.071 -13.281  -9.416
  444   1HG   LYS  54          1HG       LYS  54   0.559 -13.805  -7.308
  445   2HG   LYS  54          2HG       LYS  54  -0.776 -12.733  -6.882
  446   1HD   LYS  54          1HD       LYS  54  -1.135 -14.769  -5.714
  447   2HD   LYS  54          2HD       LYS  54  -2.293 -14.735  -7.046
  448   1HE   LYS  54          1HE       LYS  54  -1.423 -16.567  -7.974
  449   2HE   LYS  54          2HE       LYS  54   0.224 -15.962  -7.807
  450   1HZ   LYS  54          1HZ       LYS  54  -1.344 -17.244  -5.634
  451   2HZ   LYS  54          2HZ       LYS  54  -0.150 -18.013  -6.553
  452   3HZ   LYS  54          3HZ       LYS  54   0.264 -16.728  -5.535
  453    H    GLU  55           H        GLU  55  -1.928 -11.262  -6.855
  454    HA   GLU  55           HA       GLU  55  -3.844 -12.685  -5.511
  455   1HB   GLU  55          1HB       GLU  55  -3.276  -9.721  -5.329
  456   2HB   GLU  55          2HB       GLU  55  -4.212 -10.629  -4.149
  457   1HG   GLU  55          1HG       GLU  55  -2.189 -12.078  -3.814
  458   2HG   GLU  55          2HG       GLU  55  -1.295 -10.925  -4.802
  459    H    GLN  56           H        GLN  56  -6.018 -12.808  -5.471
  460    HA   GLN  56           HA       GLN  56  -7.537 -12.025  -7.669
  461   1HB   GLN  56          1HB       GLN  56  -8.139 -13.854  -6.109
  462   2HB   GLN  56          2HB       GLN  56  -8.542 -12.653  -4.888
  463   1HG   GLN  56          1HG       GLN  56  -9.887 -12.885  -7.571
  464   2HG   GLN  56          2HG       GLN  56 -10.507 -13.567  -6.068
  465   1HE2  GLN  56          2HE2      GLN  56 -10.240 -10.792  -8.019
  466   2HE2  GLN  56          1HE2      GLN  56 -11.059  -9.686  -6.975
  467    H    TRP  57           H        TRP  57  -7.628 -10.657  -4.371
  468    HA   TRP  57           HA       TRP  57  -9.413  -8.600  -4.872
  469   1HB   TRP  57          1HB       TRP  57  -8.768  -7.680  -2.822
  470   2HB   TRP  57          2HB       TRP  57  -8.392  -9.391  -2.642
  471    HD1  TRP  57           HD1      TRP  57  -5.675 -10.003  -3.144
  472    HE1  TRP  57           HE1      TRP  57  -3.606  -8.665  -2.398
  473    HE3  TRP  57           HE3      TRP  57  -7.900  -5.473  -2.294
  474    HZ2  TRP  57           HZ2      TRP  57  -2.996  -6.035  -1.559
  475    HZ3  TRP  57           HZ3      TRP  57  -6.505  -3.596  -1.520
  476    HH2  TRP  57           HH2      TRP  57  -4.102  -3.873  -1.160
  477    H    VAL  58           H        VAL  58  -6.214  -8.940  -6.017
  478    HA   VAL  58           HA       VAL  58  -5.812  -6.091  -6.430
  479    HB   VAL  58           HB       VAL  58  -4.140  -8.493  -7.166
  480   1HG1  VAL  58          1HG1      VAL  58  -4.051  -5.764  -8.178
  481   2HG1  VAL  58          2HG1      VAL  58  -2.528  -6.286  -7.460
  482   3HG1  VAL  58          3HG1      VAL  58  -3.250  -7.218  -8.771
  483   1HG2  VAL  58          1HG2      VAL  58  -3.875  -6.318  -5.102
  484   2HG2  VAL  58          2HG2      VAL  58  -4.025  -8.055  -4.836
  485   3HG2  VAL  58          3HG2      VAL  58  -2.552  -7.395  -5.546
  486    H    LYS  59           H        LYS  59  -6.845  -8.906  -8.186
  487    HA   LYS  59           HA       LYS  59  -6.596  -7.780 -10.800
  488   1HB   LYS  59          1HB       LYS  59  -8.162 -10.125  -9.720
  489   2HB   LYS  59          2HB       LYS  59  -8.147  -9.689 -11.420
  490   1HG   LYS  59          1HG       LYS  59  -5.910 -10.263 -11.679
  491   2HG   LYS  59          2HG       LYS  59  -5.600 -10.207  -9.941
  492   1HD   LYS  59          1HD       LYS  59  -6.786 -12.215  -9.569
  493   2HD   LYS  59          2HD       LYS  59  -7.490 -12.186 -11.185
  494   1HE   LYS  59          1HE       LYS  59  -4.523 -12.299 -10.872
  495   2HE   LYS  59          2HE       LYS  59  -5.475 -13.766 -10.647
  496   1HZ   LYS  59          1HZ       LYS  59  -6.344 -12.488 -12.985
  497   2HZ   LYS  59          2HZ       LYS  59  -4.657 -12.594 -13.046
  498   3HZ   LYS  59          3HZ       LYS  59  -5.585 -13.991 -12.832
  499    H    ASP  60           H        ASP  60  -9.355  -8.389  -8.636
  500    HA   ASP  60           HA       ASP  60 -11.235  -7.022 -10.268
  501   1HB   ASP  60          1HB       ASP  60 -11.284  -7.884  -7.374
  502   2HB   ASP  60          2HB       ASP  60 -12.640  -7.065  -8.144
  503    H    ALA  61           H        ALA  61  -9.361  -6.113  -7.390
  504    HA   ALA  61           HA       ALA  61 -10.450  -3.614  -6.915
  505   1HB   ALA  61          1HB       ALA  61  -7.635  -4.618  -6.556
  506   2HB   ALA  61          2HB       ALA  61  -8.171  -3.034  -5.997
  507   3HB   ALA  61          3HB       ALA  61  -8.909  -4.497  -5.344
  508    H    MET  62           H        MET  62  -7.730  -4.473  -9.041
  509    HA   MET  62           HA       MET  62  -7.327  -1.843 -10.019
  510   1HB   MET  62          1HB       MET  62  -6.467  -4.570 -10.940
  511   2HB   MET  62          2HB       MET  62  -6.144  -3.149 -11.925
  512   1HG   MET  62          1HG       MET  62  -4.972  -2.149  -9.967
  513   2HG   MET  62          2HG       MET  62  -5.174  -3.688  -9.129
  514   1HE   MET  62          1HE       MET  62  -4.329  -6.000 -10.240
  515   2HE   MET  62          2HE       MET  62  -4.828  -5.585 -11.880
  516   3HE   MET  62          3HE       MET  62  -3.166  -6.080 -11.564
  517    H    GLN  63           H        GLN  63  -8.783  -4.705 -11.580
  518    HA   GLN  63           HA       GLN  63  -9.654  -3.595 -13.914
  519   1HB   GLN  63          1HB       GLN  63  -9.995  -5.995 -12.880
  520   2HB   GLN  63          2HB       GLN  63 -11.558  -5.345 -12.404
  521   1HG   GLN  63          1HG       GLN  63 -12.367  -5.441 -14.483
  522   2HG   GLN  63          2HG       GLN  63 -10.872  -4.839 -15.197
  523   1HE2  GLN  63          1HE2      GLN  63 -12.650  -7.034 -16.009
  524   2HE2  GLN  63          2HE2      GLN  63 -11.647  -8.439 -16.095
  525    H    HIS  64           H        HIS  64 -10.814  -3.017 -10.705
  526    HA   HIS  64           HA       HIS  64 -13.270  -1.765 -11.469
  527   1HB   HIS  64          1HB       HIS  64 -12.830  -2.825  -9.226
  528   2HB   HIS  64          2HB       HIS  64 -11.778  -1.461  -8.859
  529    HD1  HIS  64           HD1      HIS  64 -15.412  -2.205  -9.615
  530    HD2  HIS  64           HD2      HIS  64 -13.055   0.756  -7.901
  531    HE1  HIS  64           HE1      HIS  64 -17.025  -0.566  -8.599
  532    HE2  HIS  64           HE2      HIS  64 -15.578   1.248  -7.617
  533    H    LEU  65           H        LEU  65 -10.110  -0.605 -10.357
  534    HA   LEU  65           HA       LEU  65 -10.666   2.137 -10.484
  535   1HB   LEU  65          1HB       LEU  65  -8.031   0.727 -10.908
  536   2HB   LEU  65          2HB       LEU  65  -8.226   2.435 -10.563
  537    HG   LEU  65           HG       LEU  65  -8.961   0.172  -8.706
  538   1HD1  LEU  65          1HD1      LEU  65  -6.495   0.696  -9.133
  539   2HD1  LEU  65          2HD1      LEU  65  -6.806   2.217  -8.298
  540   3HD1  LEU  65          3HD1      LEU  65  -7.053   0.685  -7.460
  541   1HD2  LEU  65          1HD2      LEU  65  -9.737   2.948  -8.775
  542   2HD2  LEU  65          2HD2      LEU  65 -10.278   1.656  -7.705
  543   3HD2  LEU  65          3HD2      LEU  65  -8.826   2.577  -7.310
  544    H    ASP  66           H        ASP  66  -9.449  -0.106 -12.927
  545    HA   ASP  66           HA       ASP  66  -8.840   1.775 -14.917
  546   1HB   ASP  66          1HB       ASP  66  -9.524  -1.147 -14.953
  547   2HB   ASP  66          2HB       ASP  66  -9.351  -0.264 -16.467
  548    H    ARG  67           H        ARG  67 -11.861   0.344 -13.915
  549    HA   ARG  67           HA       ARG  67 -13.273   1.498 -16.195
  550   1HB   ARG  67          1HB       ARG  67 -14.356  -0.162 -13.913
  551   2HB   ARG  67          2HB       ARG  67 -15.217   0.281 -15.381
  552   1HG   ARG  67          1HG       ARG  67 -12.813  -0.994 -16.155
  553   2HG   ARG  67          2HG       ARG  67 -13.564  -1.976 -14.896
  554   1HD   ARG  67          1HD       ARG  67 -14.441  -2.744 -16.954
  555   2HD   ARG  67          2HD       ARG  67 -15.714  -1.791 -16.194
  556    HE   ARG  67           HE       ARG  67 -14.527   0.026 -17.762
  557   1HH1  ARG  67          1HH1      ARG  67 -15.626  -3.217 -18.396
  558   2HH1  ARG  67          2HH1      ARG  67 -15.985  -2.907 -20.062
  559   1HH2  ARG  67          1HH2      ARG  67 -14.997   0.444 -19.954
  560   2HH2  ARG  67          2HH2      ARG  67 -15.627  -0.826 -20.948
  561    H    GLN  68           H        GLN  68 -12.073   3.287 -14.311
  562    HA   GLN  68           HA       GLN  68 -14.474   4.744 -13.512
  563   1HB   GLN  68          1HB       GLN  68 -12.632   3.488 -11.668
  564   2HB   GLN  68          2HB       GLN  68 -12.660   5.230 -11.431
  565   1HG   GLN  68          1HG       GLN  68 -14.319   4.539 -10.009
  566   2HG   GLN  68          2HG       GLN  68 -15.237   4.929 -11.463
  567   1HE2  GLN  68          2HE2      GLN  68 -13.490   2.179 -10.051
  568   2HE2  GLN  68          1HE2      GLN  68 -14.676   0.994 -10.468
  569    H    ALA  69           H        ALA  69 -10.965   5.101 -12.986
  570    HA   ALA  69           HA       ALA  69 -10.969   7.871 -13.547
  571   1HB   ALA  69          1HB       ALA  69  -9.237   6.298 -12.300
  572   2HB   ALA  69          2HB       ALA  69  -8.464   6.321 -13.885
  573   3HB   ALA  69          3HB       ALA  69  -8.755   7.832 -13.024
  574    H    ALA  70           H        ALA  70 -10.928   5.113 -15.573
  575    HA   ALA  70           HA       ALA  70  -9.613   6.310 -17.817
  576   1HB   ALA  70          1HB       ALA  70  -9.947   3.798 -17.254
  577   2HB   ALA  70          2HB       ALA  70 -11.498   4.001 -18.067
  578   3HB   ALA  70          3HB       ALA  70  -9.998   4.323 -18.938
  579    H    ALA  71           H        ALA  71 -12.965   5.877 -16.807
  580    HA   ALA  71           HA       ALA  71 -14.015   7.037 -19.217
  581   1HB   ALA  71          1HB       ALA  71 -15.065   5.276 -17.522
  582   2HB   ALA  71          2HB       ALA  71 -15.735   6.752 -16.828
  583   3HB   ALA  71          3HB       ALA  71 -16.057   6.345 -18.513
  584    H    LEU  72           H        LEU  72 -12.580   8.293 -16.503
  585    HA   LEU  72           HA       LEU  72 -14.052  10.829 -16.777
  586   1HB   LEU  72          1HB       LEU  72 -14.135   9.489 -14.545
  587   2HB   LEU  72          2HB       LEU  72 -12.512  10.109 -14.311
  588    HG   LEU  72           HG       LEU  72 -14.516  11.384 -13.277
  589   1HD1  LEU  72          1HD1      LEU  72 -12.015  12.086 -13.742
  590   2HD1  LEU  72          2HD1      LEU  72 -12.788  13.207 -14.862
  591   3HD1  LEU  72          3HD1      LEU  72 -13.204  13.244 -13.148
  592   1HD2  LEU  72          1HD2      LEU  72 -15.584  11.360 -15.684
  593   2HD2  LEU  72          2HD2      LEU  72 -15.816  12.724 -14.592
  594   3HD2  LEU  72          3HD2      LEU  72 -14.614  12.820 -15.878
  595    H    THR  73           H        THR  73 -11.053   9.237 -17.040
  596    HA   THR  73           HA       THR  73  -9.743  11.802 -17.585
  597    HB   THR  73           HB       THR  73  -7.900  11.403 -16.244
  598    HG1  THR  73           HG1      THR  73  -8.642   8.673 -16.070
  599   1HG2  THR  73          1HG2      THR  73  -9.959  11.647 -14.831
  600   2HG2  THR  73          2HG2      THR  73  -9.935   9.894 -14.636
  601   3HG2  THR  73          3HG2      THR  73  -8.584  10.866 -14.052
  602    H    ARG  74           H        ARG  74 -10.854   9.832 -19.359
  603    HA   ARG  74           HA       ARG  74  -9.222   7.953 -20.443
  604   1HB   ARG  74          1HB       ARG  74 -10.185   8.698 -22.704
  605   2HB   ARG  74          2HB       ARG  74 -11.322   8.207 -21.454
  606   1HG   ARG  74          1HG       ARG  74 -12.014  10.393 -21.052
  607   2HG   ARG  74          2HG       ARG  74 -10.591  11.085 -21.832
  608   1HD   ARG  74          1HD       ARG  74 -12.556  11.350 -23.240
  609   2HD   ARG  74          2HD       ARG  74 -11.385  10.270 -23.998
  610    HE   ARG  74           HE       ARG  74 -12.992   8.534 -22.754
  611   1HH1  ARG  74          1HH1      ARG  74 -13.691  11.279 -24.778
  612   2HH1  ARG  74          2HH1      ARG  74 -15.167  10.617 -25.392
  613   1HH2  ARG  74          1HH2      ARG  74 -14.935   7.649 -23.555
  614   2HH2  ARG  74          2HH2      ARG  74 -15.876   8.552 -24.696
  615    H    ASN  75           H        ASN  75  -7.443   7.852 -21.739
  616    HA   ASN  75           HA       ASN  75  -6.189  10.393 -22.524
  617   1HB   ASN  75          1HB       ASN  75  -3.991   9.501 -21.882
  618   2HB   ASN  75          2HB       ASN  75  -5.075   9.586 -20.497
  619   1HD2  ASN  75          2HD2      ASN  75  -5.843   7.699 -19.572
  620   2HD2  ASN  75          1HD2      ASN  75  -5.144   6.155 -19.909
  621    H    GLY  76           H        GLY  76  -6.450   6.911 -23.038
  622   1HA   GLY  76          1HA       GLY  76  -6.042   7.330 -25.887
  623   2HA   GLY  76          2HA       GLY  76  -4.848   6.317 -25.089
  Start of MODEL   20
    1   2H    MET   0          2H        MET   0  23.727   7.218   9.983
    2   3H    MET   0          3H        MET   0  22.334   7.245   8.982
    3   1H    MET   0          1H        MET   0  22.162   7.182  10.685
    4    HA   MET   0           HA       MET   0  22.525   5.104   8.807
    5   1HB   MET   0          1HB       MET   0  24.882   5.471   9.600
    6   2HB   MET   0          2HB       MET   0  24.331   5.123  11.233
    7   1HG   MET   0          1HG       MET   0  23.524   2.899  10.343
    8   2HG   MET   0          2HG       MET   0  24.430   3.268   8.876
    9   1HE   MET   0          1HE       MET   0  24.678   3.307  12.710
   10   2HE   MET   0          2HE       MET   0  24.712   1.576  12.379
   11   3HE   MET   0          3HE       MET   0  26.139   2.377  13.038
   12    H    GLN   1           H        GLN   1  22.678   5.599  12.341
   13    HA   GLN   1           HA       GLN   1  21.221   3.505  13.229
   14   1HB   GLN   1          1HB       GLN   1  22.008   5.996  14.279
   15   2HB   GLN   1          2HB       GLN   1  20.288   5.851  14.617
   16   1HG   GLN   1          1HG       GLN   1  20.623   3.798  15.791
   17   2HG   GLN   1          2HG       GLN   1  22.315   3.737  15.301
   18   1HE2  GLN   1          2HE2      GLN   1  23.816   4.892  16.411
   19   2HE2  GLN   1          1HE2      GLN   1  23.468   5.790  17.845
   20    H    HIS   2           H        HIS   2  19.923   6.464  11.809
   21    HA   HIS   2           HA       HIS   2  17.690   5.339  10.667
   22   1HB   HIS   2          1HB       HIS   2  15.971   6.368  12.386
   23   2HB   HIS   2          2HB       HIS   2  16.604   4.739  12.609
   24    HD1  HIS   2           HD1      HIS   2  18.766   7.658  13.451
   25    HD2  HIS   2           HD2      HIS   2  16.298   4.938  15.395
   26    HE1  HIS   2           HE1      HIS   2  19.263   7.931  15.900
   27    HE2  HIS   2           HE2      HIS   2  17.702   6.332  17.062
   28    H    HIS   3           H        HIS   3  18.062   6.823   9.073
   29    HA   HIS   3           HA       HIS   3  16.733   9.216   9.032
   30   1HB   HIS   3          1HB       HIS   3  18.127  10.160  10.708
   31   2HB   HIS   3          2HB       HIS   3  19.588   9.534   9.949
   32    HD1  HIS   3           HD1      HIS   3  17.603  12.528  10.213
   33    HD2  HIS   3           HD2      HIS   3  20.085  10.851   7.334
   34    HE1  HIS   3           HE1      HIS   3  18.198  14.412   8.657
   35    HE2  HIS   3           HE2      HIS   3  19.632  13.356   6.877
   36    H    GLY   4           H        GLY   4  19.810   7.753   8.040
   37   1HA   GLY   4          1HA       GLY   4  19.230   8.653   5.285
   38   2HA   GLY   4          2HA       GLY   4  20.856   8.458   5.923
   39    H    VAL   5           H        VAL   5  18.304   6.171   6.601
   40    HA   VAL   5           HA       VAL   5  19.661   4.225   4.848
   41    HB   VAL   5           HB       VAL   5  20.049   3.623   7.152
   42   1HG1  VAL   5          1HG1      VAL   5  17.300   4.488   7.467
   43   2HG1  VAL   5          2HG1      VAL   5  17.595   2.923   8.224
   44   3HG1  VAL   5          3HG1      VAL   5  18.576   4.317   8.672
   45   1HG2  VAL   5          1HG2      VAL   5  18.798   1.976   5.264
   46   2HG2  VAL   5          2HG2      VAL   5  19.783   1.477   6.639
   47   3HG2  VAL   5          3HG2      VAL   5  18.032   1.603   6.807
   48    H    THR   6           H        THR   6  18.258   4.646   3.106
   49    HA   THR   6           HA       THR   6  15.573   3.501   3.462
   50    HB   THR   6           HB       THR   6  15.519   5.445   1.363
   51    HG1  THR   6           HG1      THR   6  15.771   7.265   2.940
   52   1HG2  THR   6          1HG2      THR   6  14.139   5.160   4.003
   53   2HG2  THR   6          2HG2      THR   6  13.873   6.557   2.960
   54   3HG2  THR   6          3HG2      THR   6  13.489   4.938   2.379
   55    H    LYS   7           H        LYS   7  14.808   3.825   0.753
   56    HA   LYS   7           HA       LYS   7  16.629   2.938  -1.140
   57   1HB   LYS   7          1HB       LYS   7  16.615   0.960   0.531
   58   2HB   LYS   7          2HB       LYS   7  15.033   0.595  -0.144
   59   1HG   LYS   7          1HG       LYS   7  15.894   0.041  -2.214
   60   2HG   LYS   7          2HG       LYS   7  17.380   0.957  -1.955
   61   1HD   LYS   7          1HD       LYS   7  18.117  -0.682  -0.306
   62   2HD   LYS   7          2HD       LYS   7  16.617  -1.586  -0.519
   63   1HE   LYS   7          1HE       LYS   7  17.917  -2.776  -1.946
   64   2HE   LYS   7          2HE       LYS   7  17.414  -1.509  -3.063
   65   1HZ   LYS   7          1HZ       LYS   7  19.864  -1.191  -1.454
   66   2HZ   LYS   7          2HZ       LYS   7  19.895  -2.095  -2.884
   67   3HZ   LYS   7          3HZ       LYS   7  19.454  -0.461  -2.924
   68    H    CYS   8           H        CYS   8  15.369   4.331  -2.378
   69    HA   CYS   8           HA       CYS   8  13.752   4.884  -3.880
   70   1HB   CYS   8          1HB       CYS   8  14.115   2.572  -4.691
   71   2HB   CYS   8          2HB       CYS   8  12.881   2.003  -3.571
   72    H    ASN   9           H        ASN   9  11.886   5.973  -3.670
   73    HA   ASN   9           HA       ASN   9  10.609   6.476  -1.365
   74   1HB   ASN   9          1HB       ASN   9   8.469   6.724  -2.940
   75   2HB   ASN   9          2HB       ASN   9   9.824   7.846  -3.023
   76   1HD2  ASN   9          2HD2      ASN   9   8.110   5.303  -4.602
   77   2HD2  ASN   9          1HD2      ASN   9   8.940   5.394  -6.115
   78    H    ILE  10           H        ILE  10   9.720   3.859  -3.594
   79    HA   ILE  10           HA       ILE  10   8.358   2.528  -1.353
   80    HB   ILE  10           HB       ILE  10   6.717   3.625  -2.926
   81   1HG1  ILE  10          1HG1      ILE  10   6.290   0.675  -3.059
   82   2HG1  ILE  10          2HG1      ILE  10   6.490   1.410  -1.471
   83   1HG2  ILE  10          1HG2      ILE  10   8.248   2.763  -4.919
   84   2HG2  ILE  10          2HG2      ILE  10   7.137   1.397  -4.837
   85   3HG2  ILE  10          3HG2      ILE  10   6.513   3.024  -5.110
   86   1HD1  ILE  10          1HD1      ILE  10   4.481   2.364  -3.485
   87   2HD1  ILE  10          2HD1      ILE  10   4.133   1.154  -2.250
   88   3HD1  ILE  10          3HD1      ILE  10   4.596   2.789  -1.777
   89    H    THR  11           H        THR  11   9.495   0.740  -0.981
   90    HA   THR  11           HA       THR  11  10.613  -0.732  -3.269
   91    HB   THR  11           HB       THR  11  12.159   0.086  -1.439
   92    HG1  THR  11           HG1      THR  11  13.387  -1.566  -1.883
   93   1HG2  THR  11          1HG2      THR  11  10.340  -0.938   0.307
   94   2HG2  THR  11          2HG2      THR  11  11.563  -2.207   0.257
   95   3HG2  THR  11          3HG2      THR  11  12.020  -0.559   0.686
   96    H    CYS  12           H        CYS  12   9.561  -2.495  -3.876
   97    HA   CYS  12           HA       CYS  12   7.514  -3.658  -2.226
   98   1HB   CYS  12          1HB       CYS  12   8.593  -4.396  -4.949
   99   2HB   CYS  12          2HB       CYS  12   7.273  -5.253  -4.161
  100    H    SER  13           H        SER  13   9.071  -4.214  -0.476
  101    HA   SER  13           HA       SER  13  10.947  -6.330  -0.897
  102   1HB   SER  13          1HB       SER  13  10.099  -4.632   1.319
  103   2HB   SER  13          2HB       SER  13  10.394  -6.296   1.824
  104    HG   SER  13           HG       SER  13  12.237  -4.703   1.738
  105    H    LYS  14           H        LYS  14   7.745  -6.134   0.630
  106    HA   LYS  14           HA       LYS  14   7.425  -9.013   0.133
  107   1HB   LYS  14          1HB       LYS  14   7.700  -7.859   2.665
  108   2HB   LYS  14          2HB       LYS  14   5.974  -8.147   2.487
  109   1HG   LYS  14          1HG       LYS  14   7.016 -10.042   3.541
  110   2HG   LYS  14          2HG       LYS  14   6.443 -10.497   1.935
  111   1HD   LYS  14          1HD       LYS  14   8.656 -10.386   1.038
  112   2HD   LYS  14          2HD       LYS  14   9.281  -9.675   2.528
  113   1HE   LYS  14          1HE       LYS  14   7.992 -12.100   3.213
  114   2HE   LYS  14          2HE       LYS  14   9.026 -12.426   1.824
  115   1HZ   LYS  14          1HZ       LYS  14  10.716 -11.036   3.259
  116   2HZ   LYS  14          2HZ       LYS  14   9.756 -11.598   4.533
  117   3HZ   LYS  14          3HZ       LYS  14  10.517 -12.698   3.496
  118    H    MET  15           H        MET  15   4.937  -9.517   0.738
  119    HA   MET  15           HA       MET  15   3.360  -7.537  -0.769
  120   1HB   MET  15          1HB       MET  15   3.029 -10.536  -0.617
  121   2HB   MET  15          2HB       MET  15   1.919  -9.451  -1.441
  122   1HG   MET  15          1HG       MET  15   4.783 -10.026  -2.141
  123   2HG   MET  15          2HG       MET  15   3.342 -10.420  -3.075
  124   1HE   MET  15          1HE       MET  15   6.205  -8.624  -2.818
  125   2HE   MET  15          2HE       MET  15   5.913  -8.440  -4.547
  126   3HE   MET  15          3HE       MET  15   6.018  -7.014  -3.514
  127    H    THR  16           H        THR  16   1.691  -6.620   0.230
  128    HA   THR  16           HA       THR  16   1.121  -7.191   2.955
  129    HB   THR  16           HB       THR  16   0.911  -4.946   1.754
  130    HG1  THR  16           HG1      THR  16   0.108  -4.809   3.715
  131   1HG2  THR  16          1HG2      THR  16  -0.957  -6.296   0.199
  132   2HG2  THR  16          2HG2      THR  16  -1.902  -5.253   1.259
  133   3HG2  THR  16          3HG2      THR  16  -0.647  -4.562   0.234
  134    H    SER  17           H        SER  17  -1.561  -7.037   3.283
  135    HA   SER  17           HA       SER  17  -2.490  -9.572   2.113
  136   1HB   SER  17          1HB       SER  17  -3.937  -9.775   4.096
  137   2HB   SER  17          2HB       SER  17  -2.242  -9.622   4.554
  138    HG   SER  17           HG       SER  17  -2.737  -7.306   4.793
  139    H    LYS  18           H        LYS  18  -4.941  -9.732   1.996
  140    HA   LYS  18           HA       LYS  18  -5.989  -8.097   0.106
  141   1HB   LYS  18          1HB       LYS  18  -7.159 -10.085   0.656
  142   2HB   LYS  18          2HB       LYS  18  -7.375  -9.587   2.327
  143   1HG   LYS  18          1HG       LYS  18  -9.442  -9.064   1.638
  144   2HG   LYS  18          2HG       LYS  18  -8.670  -7.589   1.055
  145   1HD   LYS  18          1HD       LYS  18  -8.578  -8.369  -1.150
  146   2HD   LYS  18          2HD       LYS  18  -8.859 -10.041  -0.662
  147   1HE   LYS  18          1HE       LYS  18 -10.917  -9.431  -1.517
  148   2HE   LYS  18          2HE       LYS  18 -11.129  -9.142   0.209
  149   1HZ   LYS  18          1HZ       LYS  18 -10.188  -6.946  -1.498
  150   2HZ   LYS  18          2HZ       LYS  18 -11.831  -7.351  -1.520
  151   3HZ   LYS  18          3HZ       LYS  18 -11.094  -6.884  -0.071
  152    H    ILE  19           H        ILE  19  -7.212  -6.235   0.007
  153    HA   ILE  19           HA       ILE  19  -7.672  -4.748   2.485
  154    HB   ILE  19           HB       ILE  19  -6.338  -3.487   0.088
  155   1HG1  ILE  19          1HG1      ILE  19  -5.181  -4.355   2.744
  156   2HG1  ILE  19          2HG1      ILE  19  -4.763  -4.986   1.154
  157   1HG2  ILE  19          1HG2      ILE  19  -7.873  -2.148   1.671
  158   2HG2  ILE  19          2HG2      ILE  19  -6.554  -2.308   2.831
  159   3HG2  ILE  19          3HG2      ILE  19  -6.277  -1.500   1.288
  160   1HD1  ILE  19          1HD1      ILE  19  -4.400  -2.085   1.619
  161   2HD1  ILE  19          2HD1      ILE  19  -3.273  -3.198   2.394
  162   3HD1  ILE  19          3HD1      ILE  19  -3.455  -3.207   0.640
  163    HA   PRO  20           HA       PRO  20 -11.677  -4.101   0.731
  164   1HB   PRO  20          1HB       PRO  20 -11.448  -1.499   2.162
  165   2HB   PRO  20          2HB       PRO  20 -12.738  -2.698   2.215
  166   1HG   PRO  20          1HG       PRO  20 -11.002  -2.456   4.217
  167   2HG   PRO  20          2HG       PRO  20 -11.600  -4.037   3.700
  168   1HD   PRO  20          1HD       PRO  20  -8.946  -2.778   3.238
  169   2HD   PRO  20          2HD       PRO  20  -9.359  -4.489   3.469
  170    H    VAL  21           H        VAL  21 -11.693  -3.668  -1.396
  171    HA   VAL  21           HA       VAL  21 -10.182  -1.799  -2.767
  172    HB   VAL  21           HB       VAL  21 -11.596  -3.687  -3.736
  173   1HG1  VAL  21          1HG1      VAL  21 -13.697  -2.744  -2.603
  174   2HG1  VAL  21          2HG1      VAL  21 -13.747  -1.609  -3.952
  175   3HG1  VAL  21          3HG1      VAL  21 -13.846  -3.343  -4.256
  176   1HG2  VAL  21          1HG2      VAL  21 -10.596  -1.352  -4.850
  177   2HG2  VAL  21          2HG2      VAL  21 -11.085  -2.807  -5.719
  178   3HG2  VAL  21          3HG2      VAL  21 -12.229  -1.482  -5.503
  179    H    ALA  22           H        ALA  22 -13.034  -1.349  -0.873
  180    HA   ALA  22           HA       ALA  22 -13.945   1.080  -1.996
  181   1HB   ALA  22          1HB       ALA  22 -15.147  -0.510  -0.374
  182   2HB   ALA  22          2HB       ALA  22 -14.292   0.367   0.896
  183   3HB   ALA  22          3HB       ALA  22 -15.398   1.225  -0.178
  184    H    LEU  23           H        LEU  23 -11.113   0.395  -0.361
  185    HA   LEU  23           HA       LEU  23 -10.870   3.119   0.710
  186   1HB   LEU  23          1HB       LEU  23  -9.085   0.731   1.182
  187   2HB   LEU  23          2HB       LEU  23  -8.970   2.287   1.983
  188    HG   LEU  23           HG       LEU  23 -11.467   0.640   2.214
  189   1HD1  LEU  23          1HD1      LEU  23  -9.579  -0.807   2.836
  190   2HD1  LEU  23          2HD1      LEU  23  -9.038   0.415   3.985
  191   3HD1  LEU  23          3HD1      LEU  23 -10.588  -0.390   4.221
  192   1HD2  LEU  23          1HD2      LEU  23 -10.600   3.149   3.172
  193   2HD2  LEU  23          2HD2      LEU  23 -12.099   2.296   3.542
  194   3HD2  LEU  23          3HD2      LEU  23 -10.676   2.059   4.557
  195    H    LEU  24           H        LEU  24  -9.826   1.056  -1.814
  196    HA   LEU  24           HA       LEU  24  -7.371   2.427  -2.389
  197   1HB   LEU  24          1HB       LEU  24  -8.957   0.661  -4.245
  198   2HB   LEU  24          2HB       LEU  24  -7.251   1.051  -4.347
  199    HG   LEU  24           HG       LEU  24  -8.581  -0.662  -2.246
  200   1HD1  LEU  24          1HD1      LEU  24  -6.607  -1.319  -4.426
  201   2HD1  LEU  24          2HD1      LEU  24  -7.197  -2.441  -3.200
  202   3HD1  LEU  24          3HD1      LEU  24  -8.312  -1.771  -4.392
  203   1HD2  LEU  24          1HD2      LEU  24  -6.384   0.927  -1.854
  204   2HD2  LEU  24          2HD2      LEU  24  -6.752  -0.550  -0.961
  205   3HD2  LEU  24          3HD2      LEU  24  -5.664  -0.604  -2.348
  206    H    ILE  25           H        ILE  25  -7.024   4.116  -3.725
  207    HA   ILE  25           HA       ILE  25  -9.347   5.173  -5.201
  208    HB   ILE  25           HB       ILE  25  -8.262   7.448  -4.848
  209   1HG1  ILE  25          1HG1      ILE  25  -6.919   6.040  -2.538
  210   2HG1  ILE  25          2HG1      ILE  25  -6.087   6.437  -4.037
  211   1HG2  ILE  25          1HG2      ILE  25  -9.476   5.904  -2.569
  212   2HG2  ILE  25          2HG2      ILE  25  -9.226   7.650  -2.537
  213   3HG2  ILE  25          3HG2      ILE  25 -10.299   6.934  -3.739
  214   1HD1  ILE  25          1HD1      ILE  25  -7.487   8.549  -2.452
  215   2HD1  ILE  25          2HD1      ILE  25  -5.852   8.025  -2.044
  216   3HD1  ILE  25          3HD1      ILE  25  -6.186   8.718  -3.631
  217    H    HIS  26           H        HIS  26  -5.900   4.580  -5.163
  218    HA   HIS  26           HA       HIS  26  -5.850   4.907  -8.058
  219   1HB   HIS  26          1HB       HIS  26  -4.796   6.876  -6.309
  220   2HB   HIS  26          2HB       HIS  26  -3.426   6.049  -7.044
  221    HD1  HIS  26           HD1      HIS  26  -2.650   7.503  -8.883
  222    HD2  HIS  26           HD2      HIS  26  -6.794   7.233  -8.770
  223    HE1  HIS  26           HE1      HIS  26  -3.462   8.790 -10.886
  224    HE2  HIS  26           HE2      HIS  26  -5.975   8.681 -10.751
  225    H    TYR  27           H        TYR  27  -4.174   3.784  -9.096
  226    HA   TYR  27           HA       TYR  27  -2.557   2.016  -7.393
  227   1HB   TYR  27          1HB       TYR  27  -3.071   0.100  -8.692
  228   2HB   TYR  27          2HB       TYR  27  -4.617   0.873  -8.358
  229    HD1  TYR  27           HD1      TYR  27  -5.485   2.516 -10.208
  230    HD2  TYR  27           HD2      TYR  27  -2.547  -0.501 -10.871
  231    HE1  TYR  27           HE1      TYR  27  -5.980   2.574 -12.620
  232    HE2  TYR  27           HE2      TYR  27  -3.033  -0.452 -13.285
  233    HH   TYR  27           HH       TYR  27  -4.361   1.843 -14.849
  234    H    GLN  28           H        GLN  28  -0.467   1.887  -7.968
  235    HA   GLN  28           HA       GLN  28   0.293   2.989 -10.590
  236   1HB   GLN  28          1HB       GLN  28   2.430   3.094  -8.644
  237   2HB   GLN  28          2HB       GLN  28   1.752   4.383  -9.630
  238   1HG   GLN  28          1HG       GLN  28   0.255   3.459  -7.230
  239   2HG   GLN  28          2HG       GLN  28   1.669   4.491  -7.021
  240   1HE2  GLN  28          2HE2      GLN  28   0.610   6.283  -6.321
  241   2HE2  GLN  28          1HE2      GLN  28  -0.478   7.200  -7.302
  242    H    GLN  29           H        GLN  29   2.652   2.300 -11.135
  243    HA   GLN  29           HA       GLN  29   2.787  -0.616 -10.773
  244   1HB   GLN  29          1HB       GLN  29   2.928   1.016 -13.085
  245   2HB   GLN  29          2HB       GLN  29   4.526   0.319 -12.851
  246   1HG   GLN  29          1HG       GLN  29   3.669  -1.378 -14.033
  247   2HG   GLN  29          2HG       GLN  29   3.007  -1.865 -12.473
  248   1HE2  GLN  29          2HE2      GLN  29   1.419  -2.979 -13.797
  249   2HE2  GLN  29          1HE2      GLN  29   0.047  -2.109 -14.379
  250    H    ASN  30           H        ASN  30   4.719  -1.608 -10.214
  251    HA   ASN  30           HA       ASN  30   6.516   0.008  -8.660
  252   1HB   ASN  30          1HB       ASN  30   5.870  -2.207  -7.864
  253   2HB   ASN  30          2HB       ASN  30   6.568  -2.947  -9.302
  254   1HD2  ASN  30          2HD2      ASN  30   7.374  -0.967  -6.493
  255   2HD2  ASN  30          1HD2      ASN  30   8.990  -1.554  -6.323
  256    H    GLN  31           H        GLN  31   8.886  -0.173  -8.880
  257    HA   GLN  31           HA       GLN  31   9.644   0.019 -11.709
  258   1HB   GLN  31          1HB       GLN  31  10.589   1.307  -9.203
  259   2HB   GLN  31          2HB       GLN  31  11.791   1.010 -10.452
  260   1HG   GLN  31          1HG       GLN  31   9.659   2.129 -11.818
  261   2HG   GLN  31          2HG       GLN  31   9.730   3.030 -10.304
  262   1HE2  GLN  31          2HE2      GLN  31  11.535   4.275  -9.844
  263   2HE2  GLN  31          1HE2      GLN  31  12.702   4.695 -11.047
  264    H    ALA  32           H        ALA  32  11.575  -0.954 -12.465
  265    HA   ALA  32           HA       ALA  32  12.057  -3.548 -11.368
  266   1HB   ALA  32          1HB       ALA  32  12.083  -3.173 -13.774
  267   2HB   ALA  32          2HB       ALA  32  13.469  -2.096 -13.603
  268   3HB   ALA  32          3HB       ALA  32  13.631  -3.811 -13.224
  269    H    SER  33           H        SER  33  13.127  -0.619 -10.374
  270    HA   SER  33           HA       SER  33  15.777  -1.628  -9.588
  271   1HB   SER  33          1HB       SER  33  15.905   0.988  -8.938
  272   2HB   SER  33          2HB       SER  33  16.335   0.370 -10.534
  273    HG   SER  33           HG       SER  33  14.716   2.210 -10.265
  274    H    CYS  34           H        CYS  34  12.671  -0.982  -8.441
  275    HA   CYS  34           HA       CYS  34  13.639  -0.836  -5.663
  276   1HB   CYS  34          1HB       CYS  34  10.857  -0.095  -6.547
  277   2HB   CYS  34          2HB       CYS  34  11.686   0.346  -5.058
  278    H    GLY  35           H        GLY  35  13.437  -2.652  -4.540
  279   1HA   GLY  35          1HA       GLY  35  12.824  -4.828  -4.053
  280   2HA   GLY  35          2HA       GLY  35  11.219  -4.116  -4.027
  281    H    LYS  36           H        LYS  36  10.158  -5.902  -4.826
  282    HA   LYS  36           HA       LYS  36  10.999  -7.023  -7.378
  283   1HB   LYS  36          1HB       LYS  36   8.894  -7.782  -5.366
  284   2HB   LYS  36          2HB       LYS  36   8.963  -8.526  -6.956
  285   1HG   LYS  36          1HG       LYS  36  10.476  -9.954  -6.230
  286   2HG   LYS  36          2HG       LYS  36  11.552  -8.617  -5.835
  287   1HD   LYS  36          1HD       LYS  36  11.344  -9.589  -3.772
  288   2HD   LYS  36          2HD       LYS  36  10.013  -8.430  -3.712
  289   1HE   LYS  36          1HE       LYS  36   9.516 -11.176  -4.767
  290   2HE   LYS  36          2HE       LYS  36   9.638 -10.930  -3.024
  291   1HZ   LYS  36          1HZ       LYS  36   7.974  -8.945  -3.804
  292   2HZ   LYS  36          2HZ       LYS  36   7.521 -10.211  -4.832
  293   3HZ   LYS  36          3HZ       LYS  36   7.483 -10.429  -3.156
  294    H    ARG  37           H        ARG  37   9.741  -7.010  -9.248
  295    HA   ARG  37           HA       ARG  37   8.278  -4.647  -9.741
  296   1HB   ARG  37          1HB       ARG  37   9.553  -6.306 -11.355
  297   2HB   ARG  37          2HB       ARG  37   7.962  -7.040 -11.500
  298   1HG   ARG  37          1HG       ARG  37   7.250  -4.529 -11.942
  299   2HG   ARG  37          2HG       ARG  37   8.935  -4.407 -12.450
  300   1HD   ARG  37          1HD       ARG  37   6.922  -6.399 -13.486
  301   2HD   ARG  37          2HD       ARG  37   7.451  -4.943 -14.327
  302    HE   ARG  37           HE       ARG  37   9.678  -6.550 -13.661
  303   1HH1  ARG  37          1HH1      ARG  37   6.972  -6.406 -15.847
  304   2HH1  ARG  37          2HH1      ARG  37   7.762  -7.315 -17.092
  305   1HH2  ARG  37          1HH2      ARG  37  10.729  -7.749 -15.293
  306   2HH2  ARG  37          2HH2      ARG  37   9.900  -8.079 -16.775
  307    H    ALA  38           H        ALA  38   6.607  -4.582  -8.193
  308    HA   ALA  38           HA       ALA  38   4.394  -6.459  -8.717
  309   1HB   ALA  38          1HB       ALA  38   5.708  -6.006  -6.306
  310   2HB   ALA  38          2HB       ALA  38   4.182  -5.135  -6.163
  311   3HB   ALA  38          3HB       ALA  38   4.181  -6.857  -6.540
  312    H    ILE  39           H        ILE  39   2.483  -5.068  -7.177
  313    HA   ILE  39           HA       ILE  39   2.073  -2.694  -8.872
  314    HB   ILE  39           HB       ILE  39   0.035  -4.471  -7.529
  315   1HG1  ILE  39          1HG1      ILE  39   1.263  -5.183  -9.702
  316   2HG1  ILE  39          2HG1      ILE  39  -0.493  -5.300  -9.647
  317   1HG2  ILE  39          1HG2      ILE  39  -0.227  -1.846  -8.941
  318   2HG2  ILE  39          2HG2      ILE  39  -1.551  -3.011  -8.950
  319   3HG2  ILE  39          3HG2      ILE  39  -0.948  -2.372  -7.419
  320   1HD1  ILE  39          1HD1      ILE  39   0.930  -2.918 -10.787
  321   2HD1  ILE  39          2HD1      ILE  39   0.514  -4.337 -11.749
  322   3HD1  ILE  39          3HD1      ILE  39  -0.759  -3.385 -10.985
  323    H    ILE  40           H        ILE  40   1.268  -0.791  -7.959
  324    HA   ILE  40           HA       ILE  40   1.706  -0.572  -5.061
  325    HB   ILE  40           HB       ILE  40   1.683   1.602  -7.157
  326   1HG1  ILE  40          1HG1      ILE  40   3.659   0.284  -7.431
  327   2HG1  ILE  40          2HG1      ILE  40   4.133   1.735  -6.554
  328   1HG2  ILE  40          1HG2      ILE  40   1.937   1.636  -4.183
  329   2HG2  ILE  40          2HG2      ILE  40   2.776   2.850  -5.149
  330   3HG2  ILE  40          3HG2      ILE  40   1.022   2.706  -5.245
  331   1HD1  ILE  40          1HD1      ILE  40   3.769   0.261  -4.451
  332   2HD1  ILE  40          2HD1      ILE  40   3.931  -1.075  -5.591
  333   3HD1  ILE  40          3HD1      ILE  40   5.243   0.089  -5.405
  334    H    LEU  41           H        LEU  41   0.011  -0.289  -3.773
  335    HA   LEU  41           HA       LEU  41  -2.511   0.644  -4.975
  336   1HB   LEU  41          1HB       LEU  41  -1.960  -1.258  -2.713
  337   2HB   LEU  41          2HB       LEU  41  -3.532  -0.512  -2.928
  338    HG   LEU  41           HG       LEU  41  -2.148  -2.485  -4.720
  339   1HD1  LEU  41          1HD1      LEU  41  -4.252  -2.567  -2.779
  340   2HD1  LEU  41          2HD1      LEU  41  -4.876  -3.027  -4.364
  341   3HD1  LEU  41          3HD1      LEU  41  -3.502  -3.891  -3.672
  342   1HD2  LEU  41          1HD2      LEU  41  -4.193  -0.441  -5.407
  343   2HD2  LEU  41          2HD2      LEU  41  -2.895  -1.120  -6.391
  344   3HD2  LEU  41          3HD2      LEU  41  -4.361  -2.056  -6.097
  345    H    GLU  42           H        GLU  42  -3.039   2.644  -4.450
  346    HA   GLU  42           HA       GLU  42  -2.174   3.703  -1.843
  347   1HB   GLU  42          1HB       GLU  42  -1.188   4.944  -3.656
  348   2HB   GLU  42          2HB       GLU  42  -2.749   5.121  -4.446
  349   1HG   GLU  42          1HG       GLU  42  -3.111   6.198  -1.909
  350   2HG   GLU  42          2HG       GLU  42  -1.516   6.750  -2.416
  351    H    THR  43           H        THR  43  -3.690   4.232  -0.391
  352    HA   THR  43           HA       THR  43  -6.491   4.216  -1.287
  353    HB   THR  43           HB       THR  43  -7.123   3.596   0.915
  354    HG1  THR  43           HG1      THR  43  -4.928   4.921   1.630
  355   1HG2  THR  43          1HG2      THR  43  -4.616   2.157   0.120
  356   2HG2  THR  43          2HG2      THR  43  -5.609   1.672   1.493
  357   3HG2  THR  43          3HG2      THR  43  -6.289   1.665  -0.134
  358    H    ARG  44           H        ARG  44  -7.983   5.683  -0.093
  359    HA   ARG  44           HA       ARG  44  -7.302   8.346  -0.461
  360   1HB   ARG  44          1HB       ARG  44  -9.314   8.691   1.204
  361   2HB   ARG  44          2HB       ARG  44  -9.577   8.046  -0.412
  362   1HG   ARG  44          1HG       ARG  44 -10.207   6.031   0.353
  363   2HG   ARG  44          2HG       ARG  44  -9.024   6.040   1.663
  364   1HD   ARG  44          1HD       ARG  44 -10.810   6.339   2.989
  365   2HD   ARG  44          2HD       ARG  44 -10.719   8.016   2.451
  366    HE   ARG  44           HE       ARG  44 -12.586   7.676   1.125
  367   1HH1  ARG  44          1HH1      ARG  44 -11.509   4.669   2.515
  368   2HH1  ARG  44          2HH1      ARG  44 -12.949   3.808   2.090
  369   1HH2  ARG  44          1HH2      ARG  44 -14.488   6.549   0.560
  370   2HH2  ARG  44          2HH2      ARG  44 -14.642   4.875   0.976
  371    H    GLN  45           H        GLN  45  -6.453   6.277   2.101
  372    HA   GLN  45           HA       GLN  45  -5.867   8.536   3.882
  373   1HB   GLN  45          1HB       GLN  45  -5.808   5.571   4.482
  374   2HB   GLN  45          2HB       GLN  45  -5.599   6.871   5.645
  375   1HG   GLN  45          1HG       GLN  45  -7.867   7.570   5.377
  376   2HG   GLN  45          2HG       GLN  45  -8.102   6.453   4.033
  377   1HE2  GLN  45          2HE2      GLN  45  -9.938   5.800   5.405
  378   2HE2  GLN  45          1HE2      GLN  45  -9.667   4.594   6.612
  379    H    HIS  46           H        HIS  46  -4.312   8.068   1.528
  380    HA   HIS  46           HA       HIS  46  -2.167   7.797   0.803
  381   1HB   HIS  46          1HB       HIS  46  -1.478   8.580   3.640
  382   2HB   HIS  46          2HB       HIS  46  -0.476   8.795   2.208
  383    HD1  HIS  46           HD1      HIS  46  -3.051   9.874   0.521
  384    HD2  HIS  46           HD2      HIS  46  -1.521  11.355   4.088
  385    HE1  HIS  46           HE1      HIS  46  -3.818  12.267   0.639
  386    HE2  HIS  46           HE2      HIS  46  -2.958  13.113   2.850
  387    H    ARG  47           H        ARG  47  -3.171   5.377   1.278
  388    HA   ARG  47           HA       ARG  47  -1.177   3.942   2.894
  389   1HB   ARG  47          1HB       ARG  47  -3.616   3.561   3.360
  390   2HB   ARG  47          2HB       ARG  47  -3.755   2.872   1.749
  391   1HG   ARG  47          1HG       ARG  47  -1.697   1.430   2.728
  392   2HG   ARG  47          2HG       ARG  47  -2.628   1.722   4.198
  393   1HD   ARG  47          1HD       ARG  47  -3.978   0.773   1.699
  394   2HD   ARG  47          2HD       ARG  47  -3.154  -0.368   2.760
  395    HE   ARG  47           HE       ARG  47  -5.623   1.044   3.294
  396   1HH1  ARG  47          1HH1      ARG  47  -2.968  -0.789   4.606
  397   2HH1  ARG  47          2HH1      ARG  47  -3.835  -1.273   6.026
  398   1HH2  ARG  47          1HH2      ARG  47  -6.773   0.412   5.159
  399   2HH2  ARG  47          2HH2      ARG  47  -5.998  -0.591   6.340
  400    H    LEU  48           H        LEU  48   0.552   3.669   1.570
  401    HA   LEU  48           HA       LEU  48   0.080   2.512  -1.090
  402   1HB   LEU  48          1HB       LEU  48   2.778   3.433  -0.239
  403   2HB   LEU  48          2HB       LEU  48   2.033   3.469  -1.826
  404    HG   LEU  48           HG       LEU  48   1.526   5.362   0.465
  405   1HD1  LEU  48          1HD1      LEU  48   3.579   5.668  -0.936
  406   2HD1  LEU  48          2HD1      LEU  48   2.518   5.912  -2.323
  407   3HD1  LEU  48          3HD1      LEU  48   2.456   7.027  -0.958
  408   1HD2  LEU  48          1HD2      LEU  48   0.033   4.926  -2.097
  409   2HD2  LEU  48          2HD2      LEU  48  -0.598   5.125  -0.461
  410   3HD2  LEU  48          3HD2      LEU  48   0.075   6.509  -1.321
  411    H    PHE  49           H        PHE  49   0.203   0.373  -1.152
  412    HA   PHE  49           HA       PHE  49   2.356  -0.949   0.356
  413   1HB   PHE  49          1HB       PHE  49  -0.551  -1.709   0.204
  414   2HB   PHE  49          2HB       PHE  49   0.686  -2.911   0.553
  415    HD1  PHE  49           HD1      PHE  49  -0.354   0.492   1.683
  416    HD2  PHE  49           HD2      PHE  49   1.161  -3.346   2.757
  417    HE1  PHE  49           HE1      PHE  49  -0.408   1.143   4.058
  418    HE2  PHE  49           HE2      PHE  49   1.111  -2.704   5.137
  419    HZ   PHE  49           HZ       PHE  49   0.326  -0.456   5.790
  420    H    CYS  50           H        CYS  50   3.328  -2.702  -0.631
  421    HA   CYS  50           HA       CYS  50   2.993  -2.817  -3.511
  422   1HB   CYS  50          1HB       CYS  50   5.060  -3.751  -1.568
  423   2HB   CYS  50          2HB       CYS  50   4.977  -4.527  -3.146
  424    H    ALA  51           H        ALA  51   1.335  -4.047  -4.169
  425    HA   ALA  51           HA       ALA  51   0.997  -6.703  -2.942
  426   1HB   ALA  51          1HB       ALA  51  -0.958  -4.878  -4.312
  427   2HB   ALA  51          2HB       ALA  51  -1.300  -6.585  -4.025
  428   3HB   ALA  51          3HB       ALA  51  -1.006  -5.504  -2.664
  429    H    ASP  52           H        ASP  52   0.918  -8.527  -4.210
  430    HA   ASP  52           HA       ASP  52   2.180  -8.318  -6.796
  431   1HB   ASP  52          1HB       ASP  52   2.533 -10.132  -4.947
  432   2HB   ASP  52          2HB       ASP  52   1.115 -10.886  -5.670
  433    HA   PRO  53           HA       PRO  53  -1.467  -8.041  -9.287
  434   1HB   PRO  53          1HB       PRO  53   0.175  -9.713 -11.134
  435   2HB   PRO  53          2HB       PRO  53  -0.697  -8.209 -11.452
  436   1HG   PRO  53          1HG       PRO  53   1.951  -8.210 -11.179
  437   2HG   PRO  53          2HG       PRO  53   0.967  -6.892 -10.515
  438   1HD   PRO  53          1HD       PRO  53   2.301  -9.160  -9.110
  439   2HD   PRO  53          2HD       PRO  53   2.037  -7.489  -8.566
  440    H    LYS  54           H        LYS  54   0.242 -11.176  -9.275
  441    HA   LYS  54           HA       LYS  54  -1.640 -12.897 -10.140
  442   1HB   LYS  54          1HB       LYS  54   0.584 -13.063  -8.283
  443   2HB   LYS  54          2HB       LYS  54  -0.696 -14.190  -7.855
  444   1HG   LYS  54          1HG       LYS  54   0.288 -14.031 -10.672
  445   2HG   LYS  54          2HG       LYS  54   1.182 -14.948  -9.460
  446   1HD   LYS  54          1HD       LYS  54  -0.177 -16.633 -10.075
  447   2HD   LYS  54          2HD       LYS  54  -1.347 -15.832  -9.024
  448   1HE   LYS  54          1HE       LYS  54  -2.498 -16.207 -11.035
  449   2HE   LYS  54          2HE       LYS  54  -2.042 -14.504 -11.080
  450   1HZ   LYS  54          1HZ       LYS  54   0.061 -15.791 -12.245
  451   2HZ   LYS  54          2HZ       LYS  54  -1.286 -16.631 -12.832
  452   3HZ   LYS  54          3HZ       LYS  54  -1.168 -14.959 -13.056
  453    H    GLU  55           H        GLU  55  -1.618 -11.311  -6.995
  454    HA   GLU  55           HA       GLU  55  -3.672 -12.733  -5.753
  455   1HB   GLU  55          1HB       GLU  55  -3.086  -9.782  -5.448
  456   2HB   GLU  55          2HB       GLU  55  -3.913 -10.814  -4.290
  457   1HG   GLU  55          1HG       GLU  55  -1.799 -12.154  -4.124
  458   2HG   GLU  55          2HG       GLU  55  -1.017 -10.898  -5.082
  459    H    GLN  56           H        GLN  56  -5.810 -12.834  -6.055
  460    HA   GLN  56           HA       GLN  56  -7.057 -11.700  -8.287
  461   1HB   GLN  56          1HB       GLN  56  -7.768 -13.749  -6.937
  462   2HB   GLN  56          2HB       GLN  56  -8.532 -12.621  -5.826
  463   1HG   GLN  56          1HG       GLN  56  -9.222 -13.200  -8.682
  464   2HG   GLN  56          2HG       GLN  56 -10.246 -13.307  -7.251
  465   1HE2  GLN  56          2HE2      GLN  56  -8.882 -11.223  -9.656
  466   2HE2  GLN  56          1HE2      GLN  56  -9.807  -9.815  -9.267
  467    H    TRP  57           H        TRP  57  -7.343 -10.795  -4.844
  468    HA   TRP  57           HA       TRP  57  -9.165  -8.748  -5.103
  469   1HB   TRP  57          1HB       TRP  57  -8.529  -8.021  -2.984
  470   2HB   TRP  57          2HB       TRP  57  -8.046  -9.714  -2.979
  471    HD1  TRP  57           HD1      TRP  57  -5.357 -10.188  -3.300
  472    HE1  TRP  57           HE1      TRP  57  -3.342  -8.773  -2.549
  473    HE3  TRP  57           HE3      TRP  57  -7.725  -5.704  -2.626
  474    HZ2  TRP  57           HZ2      TRP  57  -2.826  -6.102  -1.773
  475    HZ3  TRP  57           HZ3      TRP  57  -6.401  -3.767  -1.875
  476    HH2  TRP  57           HH2      TRP  57  -4.001  -3.964  -1.457
  477    H    VAL  58           H        VAL  58  -5.945  -8.860  -6.267
  478    HA   VAL  58           HA       VAL  58  -5.708  -5.971  -6.508
  479    HB   VAL  58           HB       VAL  58  -3.883  -8.200  -7.422
  480   1HG1  VAL  58          1HG1      VAL  58  -4.016  -5.643  -8.464
  481   2HG1  VAL  58          2HG1      VAL  58  -2.721  -5.546  -7.271
  482   3HG1  VAL  58          3HG1      VAL  58  -2.641  -6.743  -8.564
  483   1HG2  VAL  58          1HG2      VAL  58  -3.829  -6.308  -5.085
  484   2HG2  VAL  58          2HG2      VAL  58  -3.822  -8.071  -5.064
  485   3HG2  VAL  58          3HG2      VAL  58  -2.402  -7.190  -5.630
  486    H    LYS  59           H        LYS  59  -6.065  -8.809  -8.609
  487    HA   LYS  59           HA       LYS  59  -6.064  -7.406 -11.056
  488   1HB   LYS  59          1HB       LYS  59  -7.377 -10.038 -10.348
  489   2HB   LYS  59          2HB       LYS  59  -7.128  -9.441 -11.982
  490   1HG   LYS  59          1HG       LYS  59  -4.652  -9.382 -11.418
  491   2HG   LYS  59          2HG       LYS  59  -5.073 -10.339  -9.995
  492   1HD   LYS  59          1HD       LYS  59  -6.185 -11.970 -11.547
  493   2HD   LYS  59          2HD       LYS  59  -5.480 -11.068 -12.888
  494   1HE   LYS  59          1HE       LYS  59  -3.823 -12.188 -10.645
  495   2HE   LYS  59          2HE       LYS  59  -4.206 -13.117 -12.093
  496   1HZ   LYS  59          1HZ       LYS  59  -2.886 -10.462 -12.159
  497   2HZ   LYS  59          2HZ       LYS  59  -2.036 -11.925 -12.151
  498   3HZ   LYS  59          3HZ       LYS  59  -3.066 -11.551 -13.439
  499    H    ASP  60           H        ASP  60  -8.671  -8.408  -8.877
  500    HA   ASP  60           HA       ASP  60 -10.754  -7.330 -10.521
  501   1HB   ASP  60          1HB       ASP  60 -10.566  -8.729  -7.956
  502   2HB   ASP  60          2HB       ASP  60 -11.803  -7.475  -7.964
  503    H    ALA  61           H        ALA  61  -9.013  -6.271  -7.626
  504    HA   ALA  61           HA       ALA  61 -10.410  -3.995  -7.013
  505   1HB   ALA  61          1HB       ALA  61  -7.550  -4.772  -6.729
  506   2HB   ALA  61          2HB       ALA  61  -8.011  -3.105  -6.386
  507   3HB   ALA  61          3HB       ALA  61  -8.755  -4.429  -5.487
  508    H    MET  62           H        MET  62  -7.871  -4.414  -9.439
  509    HA   MET  62           HA       MET  62  -7.814  -1.698 -10.261
  510   1HB   MET  62          1HB       MET  62  -6.942  -4.213 -11.695
  511   2HB   MET  62          2HB       MET  62  -6.608  -2.583 -12.260
  512   1HG   MET  62          1HG       MET  62  -5.582  -2.347  -9.834
  513   2HG   MET  62          2HG       MET  62  -5.423  -4.094 -10.004
  514   1HE   MET  62          1HE       MET  62  -4.562  -5.223 -11.855
  515   2HE   MET  62          2HE       MET  62  -4.161  -4.424 -13.375
  516   3HE   MET  62          3HE       MET  62  -2.879  -4.889 -12.257
  517    H    GLN  63           H        GLN  63  -9.315  -4.601 -11.683
  518    HA   GLN  63           HA       GLN  63 -10.490  -3.541 -13.905
  519   1HB   GLN  63          1HB       GLN  63 -10.666  -5.914 -13.245
  520   2HB   GLN  63          2HB       GLN  63 -11.794  -5.470 -11.971
  521   1HG   GLN  63          1HG       GLN  63 -12.900  -4.371 -14.255
  522   2HG   GLN  63          2HG       GLN  63 -12.259  -5.925 -14.788
  523   1HE2  GLN  63          2HE2      GLN  63 -15.031  -4.867 -14.319
  524   2HE2  GLN  63          1HE2      GLN  63 -15.779  -6.050 -13.306
  525    H    HIS  64           H        HIS  64 -11.330  -3.025 -10.574
  526    HA   HIS  64           HA       HIS  64 -13.859  -1.791 -11.083
  527   1HB   HIS  64          1HB       HIS  64 -13.484  -2.824  -8.933
  528   2HB   HIS  64          2HB       HIS  64 -12.077  -1.805  -8.642
  529    HD1  HIS  64           HD1      HIS  64 -15.836  -1.491  -9.033
  530    HD2  HIS  64           HD2      HIS  64 -12.621   0.527  -7.344
  531    HE1  HIS  64           HE1      HIS  64 -16.845   0.407  -7.726
  532    HE2  HIS  64           HE2      HIS  64 -14.875   1.657  -6.771
  533    H    LEU  65           H        LEU  65 -10.752  -0.491  -9.905
  534    HA   LEU  65           HA       LEU  65 -11.339   2.189  -9.974
  535   1HB   LEU  65          1HB       LEU  65  -8.812   0.657 -10.436
  536   2HB   LEU  65          2HB       LEU  65  -8.818   2.396 -10.661
  537    HG   LEU  65           HG       LEU  65  -9.254   0.838  -8.133
  538   1HD1  LEU  65          1HD1      LEU  65  -7.391   3.032  -9.008
  539   2HD1  LEU  65          2HD1      LEU  65  -7.570   2.524  -7.330
  540   3HD1  LEU  65          3HD1      LEU  65  -6.984   1.381  -8.537
  541   1HD2  LEU  65          1HD2      LEU  65 -10.146   3.627  -8.781
  542   2HD2  LEU  65          2HD2      LEU  65 -11.041   2.334  -7.982
  543   3HD2  LEU  65          3HD2      LEU  65  -9.727   3.151  -7.135
  544    H    ASP  66           H        ASP  66 -10.375   0.117 -12.663
  545    HA   ASP  66           HA       ASP  66  -9.916   2.007 -14.625
  546   1HB   ASP  66          1HB       ASP  66 -11.046  -0.779 -14.741
  547   2HB   ASP  66          2HB       ASP  66 -10.846   0.182 -16.203
  548    H    ARG  67           H        ARG  67 -13.002   0.630 -13.563
  549    HA   ARG  67           HA       ARG  67 -14.572   1.994 -15.506
  550   1HB   ARG  67          1HB       ARG  67 -15.029  -0.040 -13.719
  551   2HB   ARG  67          2HB       ARG  67 -15.927   1.291 -13.003
  552   1HG   ARG  67          1HG       ARG  67 -17.587   0.788 -14.379
  553   2HG   ARG  67          2HG       ARG  67 -16.580   1.384 -15.702
  554   1HD   ARG  67          1HD       ARG  67 -15.827  -0.761 -16.251
  555   2HD   ARG  67          2HD       ARG  67 -16.336  -1.433 -14.701
  556    HE   ARG  67           HE       ARG  67 -17.942  -1.100 -17.055
  557   1HH1  ARG  67          1HH1      ARG  67 -17.991  -1.330 -13.581
  558   2HH1  ARG  67          2HH1      ARG  67 -19.627  -1.897 -13.511
  559   1HH2  ARG  67          1HH2      ARG  67 -20.096  -1.845 -16.976
  560   2HH2  ARG  67          2HH2      ARG  67 -20.823  -2.191 -15.442
  561    H    GLN  68           H        GLN  68 -13.203   2.898 -12.478
  562    HA   GLN  68           HA       GLN  68 -15.015   5.007 -11.852
  563   1HB   GLN  68          1HB       GLN  68 -12.412   4.034 -10.836
  564   2HB   GLN  68          2HB       GLN  68 -12.759   5.736 -10.556
  565   1HG   GLN  68          1HG       GLN  68 -13.427   4.018  -8.766
  566   2HG   GLN  68          2HG       GLN  68 -14.577   5.280  -9.205
  567   1HE2  GLN  68          2HE2      GLN  68 -13.659   2.017 -10.260
  568   2HE2  GLN  68          1HE2      GLN  68 -15.276   1.442 -10.461
  569    H    ALA  69           H        ALA  69 -11.685   5.039 -13.132
  570    HA   ALA  69           HA       ALA  69 -11.664   7.809 -13.693
  571   1HB   ALA  69          1HB       ALA  69  -9.809   5.740 -13.738
  572   2HB   ALA  69          2HB       ALA  69  -9.898   6.297 -15.410
  573   3HB   ALA  69          3HB       ALA  69  -9.512   7.436 -14.120
  574    H    ALA  70           H        ALA  70 -12.702   5.010 -15.510
  575    HA   ALA  70           HA       ALA  70 -12.738   6.000 -18.094
  576   1HB   ALA  70          1HB       ALA  70 -14.200   3.910 -16.626
  577   2HB   ALA  70          2HB       ALA  70 -14.979   4.495 -18.096
  578   3HB   ALA  70          3HB       ALA  70 -13.346   3.831 -18.167
  579    H    ALA  71           H        ALA  71 -15.280   6.260 -15.618
  580    HA   ALA  71           HA       ALA  71 -17.106   7.699 -17.181
  581   1HB   ALA  71          1HB       ALA  71 -17.473   6.511 -14.937
  582   2HB   ALA  71          2HB       ALA  71 -16.904   8.013 -14.208
  583   3HB   ALA  71          3HB       ALA  71 -18.342   8.017 -15.229
  584    H    LEU  72           H        LEU  72 -14.124   8.637 -15.958
  585    HA   LEU  72           HA       LEU  72 -14.855  11.485 -16.021
  586   1HB   LEU  72          1HB       LEU  72 -13.448  10.091 -14.116
  587   2HB   LEU  72          2HB       LEU  72 -12.168  10.806 -15.076
  588    HG   LEU  72           HG       LEU  72 -12.693  12.247 -13.207
  589   1HD1  LEU  72          1HD1      LEU  72 -12.867  13.034 -15.951
  590   2HD1  LEU  72          2HD1      LEU  72 -13.894  14.077 -14.969
  591   3HD1  LEU  72          3HD1      LEU  72 -12.182  13.908 -14.581
  592   1HD2  LEU  72          1HD2      LEU  72 -15.383  11.501 -13.836
  593   2HD2  LEU  72          2HD2      LEU  72 -14.760  12.337 -12.412
  594   3HD2  LEU  72          3HD2      LEU  72 -15.238  13.260 -13.836
  595    H    THR  73           H        THR  73 -12.332   9.208 -17.064
  596    HA   THR  73           HA       THR  73 -12.007  10.727 -19.521
  597    HB   THR  73           HB       THR  73 -10.010  11.626 -19.077
  598    HG1  THR  73           HG1      THR  73  -9.130   9.236 -17.848
  599   1HG2  THR  73          1HG2      THR  73 -10.945  12.039 -16.859
  600   2HG2  THR  73          2HG2      THR  73 -10.283  10.503 -16.299
  601   3HG2  THR  73          3HG2      THR  73  -9.198  11.799 -16.804
  602    H    ARG  74           H        ARG  74 -11.399   9.487 -21.237
  603    HA   ARG  74           HA       ARG  74 -11.740   6.711 -21.097
  604   1HB   ARG  74          1HB       ARG  74 -11.129   6.652 -23.405
  605   2HB   ARG  74          2HB       ARG  74 -12.022   8.143 -23.140
  606   1HG   ARG  74          1HG       ARG  74  -9.940   9.401 -23.081
  607   2HG   ARG  74          2HG       ARG  74  -9.023   7.907 -23.299
  608   1HD   ARG  74          1HD       ARG  74 -11.057   8.975 -25.251
  609   2HD   ARG  74          2HD       ARG  74  -9.316   9.210 -25.391
  610    HE   ARG  74           HE       ARG  74 -10.035   6.452 -25.158
  611   1HH1  ARG  74          1HH1      ARG  74  -9.769   9.123 -27.376
  612   2HH1  ARG  74          2HH1      ARG  74  -9.556   8.115 -28.768
  613   1HH2  ARG  74          1HH2      ARG  74  -9.755   5.115 -26.984
  614   2HH2  ARG  74          2HH2      ARG  74  -9.549   5.835 -28.546
  615    H    ASN  75           H        ASN  75 -10.107   5.082 -21.834
  616    HA   ASN  75           HA       ASN  75  -7.471   5.663 -20.649
  617   1HB   ASN  75          1HB       ASN  75  -9.168   3.971 -19.518
  618   2HB   ASN  75          2HB       ASN  75  -8.528   2.870 -20.735
  619   1HD2  ASN  75          2HD2      ASN  75  -6.994   5.440 -18.843
  620   2HD2  ASN  75          1HD2      ASN  75  -5.792   4.429 -18.123
  621    H    GLY  76           H        GLY  76  -9.258   4.035 -23.195
  622   1HA   GLY  76          1HA       GLY  76  -8.480   3.792 -25.405
  623   2HA   GLY  76          2HA       GLY  76  -6.837   4.033 -24.829